data_2gbq_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 2gbq _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 ' 1' ' ' MET . . . . . . . . . . . . . 17.4 ttt . . . . . 0 CA--C 1.537 0.447 0 N-CA-C 106.414 -1.699 . . . . 0.0 106.414 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -62.68 119.04 8.5 Favored 'General case' 0 C--N 1.354 0.792 0 CA-C-N 113.275 -1.784 . . . . 0.0 110.67 -178.36 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -107.16 145.29 32.74 Favored 'General case' 0 N--CA 1.445 -0.675 0 CA-C-N 111.262 -2.699 . . . . 0.0 109.076 179.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 34.2 mt -145.02 114.52 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.351 0.643 0 CA-C-N 113.836 -1.529 . . . . 0.0 109.402 -178.734 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -66.89 122.7 18.28 Favored 'General case' 0 CA--C 1.548 0.898 0 CA-C-N 114.605 -1.18 . . . . 0.0 110.203 178.227 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 23.7 mtmm -87.02 -24.59 24.59 Favored 'General case' 0 C--N 1.344 0.356 0 CA-C-N 113.768 -1.56 . . . . 0.0 110.676 179.257 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 78.7 m-85 -140.05 169.57 17.46 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 112.915 -1.948 . . . . 0.0 110.95 -178.735 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -83.78 122.73 29.06 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-N 109.266 -3.607 . . . . 0.0 107.011 179.637 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 33.2 t80 -138.89 150.27 45.78 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 112.786 -2.006 . . . . 0.0 111.185 -178.561 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 43.0 mttp -133.03 137.54 46.49 Favored 'General case' 0 N--CA 1.446 -0.649 0 CA-C-N 110.372 -3.104 . . . . 0.0 108.524 176.413 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -51.72 142.92 13.77 Favored 'General case' 0 C--N 1.346 0.443 0 CA-C-N 111.856 -2.429 . . . . 0.0 112.085 179.388 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 69.4 p -107.49 -51.16 2.95 Favored 'General case' 0 N--CA 1.448 -0.525 0 CA-C-N 110.95 -2.841 . . . . 0.0 107.391 178.261 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -88.85 173.84 8.3 Favored 'General case' 0 N--CA 1.445 -0.676 0 CA-C-N 111.976 -2.374 . . . . 0.0 109.024 179.136 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -87.6 -20.06 26.92 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-N 110.592 -3.004 . . . . 0.0 112.536 -179.134 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 16.0 p-10 -91.58 -8.2 48.05 Favored 'General case' 0 CA--C 1.548 0.885 0 CA-C-N 113.052 -1.886 . . . . 0.0 110.307 178.485 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -99.7 156.31 17.15 Favored 'General case' 0 C--N 1.351 0.643 0 CA-C-N 112.371 -2.195 . . . . 0.0 109.12 -179.29 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.9 pp -135.74 159.24 42.26 Favored 'General case' 0 C--N 1.351 0.638 0 CA-C-N 112.358 -2.201 . . . . 0.0 110.732 178.151 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 54.8 m -86.4 155.46 20.57 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 110.623 -2.989 . . . . 0.0 112.191 -176.749 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 37.2 p90 -159.65 146.18 16.3 Favored 'General case' 0 C--O 1.219 -0.525 0 CA-C-N 111.39 -2.641 . . . . 0.0 107.257 178.442 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 49.8 pttt -104.86 146.65 28.7 Favored 'General case' 0 C--O 1.224 -0.265 0 CA-C-N 113.4 -1.727 . . . . 0.0 106.782 179.675 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 5.5 tmm_? -46.05 100.96 0.02 OUTLIER 'General case' 0 CA--C 1.549 0.905 0 O-C-N 125.517 1.761 . . . . 0.0 111.698 178.692 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 125.29 -3.69 8.29 Favored Glycine 0 C--N 1.352 1.452 0 CA-C-N 113.449 -1.705 . . . . 0.0 114.993 179.479 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 -74.61 142.83 44.57 Favored 'General case' 0 C--N 1.365 1.255 0 C-N-CA 116.409 -2.116 . . . . 0.0 109.704 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 45.4 mm -100.46 116.38 43.76 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.399 0 CA-C-N 111.774 -2.466 . . . . 0.0 105.283 179.261 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -102.83 -177.45 3.38 Favored 'General case' 0 C--N 1.35 0.629 0 CA-C-N 113.735 -1.575 . . . . 0.0 109.758 -178.337 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 12.8 mmmt -129.47 110.13 11.62 Favored 'General case' 0 C--O 1.215 -0.715 0 CA-C-N 110.074 -3.239 . . . . 0.0 107.673 179.255 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 9.4 t -87.95 99.05 8.23 Favored 'Isoleucine or valine' 0 C--N 1.348 0.537 0 CA-C-O 124.307 2.003 . . . . 0.0 109.413 -176.511 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.1 mp -95.18 73.21 3.37 Favored 'General case' 0 CA--C 1.546 0.808 0 CA-C-N 108.405 -3.998 . . . . 0.0 109.573 178.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 . . . . . 0 CA--C 1.553 1.089 0 CA-C-N 113.392 -1.731 . . . . 0.0 113.6 177.627 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 28.8 m-20 . . . . . 0 CA--C 1.543 0.691 0 CA-C-O 119.039 -0.505 . . . . 0.0 110.841 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 60.5 m95 -138.61 140.08 38.81 Favored 'General case' 0 C--N 1.361 1.09 0 CA-C-O 121.929 0.871 . . . . 0.0 110.986 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -104.33 172.58 6.72 Favored 'General case' 0 C--O 1.218 -0.56 0 N-CA-C 106.079 -1.823 . . . . 0.0 106.079 177.142 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 83.9 tttt -128.21 83.64 2.17 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 103.613 -2.736 . . . . 0.0 103.613 177.011 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -105.86 -175.66 2.86 Favored 'General case' 0 C--N 1.358 0.936 0 CA-C-N 113.165 -1.834 . . . . 0.0 111.103 -176.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -131.11 145.0 51.83 Favored 'General case' 0 C--N 1.36 1.03 0 CA-C-O 123.394 1.569 . . . . 0.0 112.629 -178.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . 0.323 10.8 mt -160.73 137.62 8.93 Favored 'General case' 0 C--N 1.351 0.663 0 CA-C-N 109.933 -3.303 . . . . 0.0 114.051 178.732 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 55.75 32.45 19.49 Favored 'General case' 0 CA--C 1.545 0.785 0 CA-C-N 110.618 -2.992 . . . . 0.0 114.387 170.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 75.2 17.57 80.2 Favored Glycine 0 C--N 1.354 1.562 0 CA-C-N 113.478 -1.692 . . . . 0.0 113.76 -179.69 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 28.9 mtpp -136.03 131.49 35.02 Favored 'General case' 0 C--N 1.353 0.74 0 N-CA-C 108.427 -0.953 . . . . 0.0 108.427 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -98.65 144.43 27.93 Favored 'General case' 0 CA--C 1.546 0.799 0 N-CA-C 105.095 -2.187 . . . . 0.0 105.095 177.327 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -173.41 172.34 45.12 Favored Glycine 0 C--N 1.343 0.939 0 C-N-CA 119.269 -1.443 . . . . 0.0 112.0 -178.22 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 99.3 m-85 -81.05 138.93 35.98 Favored 'General case' 0 C--N 1.347 0.461 0 CA-C-N 112.127 -2.037 . . . . 0.0 111.863 -179.426 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 47.2 pt -139.27 138.26 20.43 Favored Pre-proline 0 CA--C 1.545 0.788 0 CA-C-N 112.256 -2.247 . . . . 0.0 107.191 179.45 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -66.49 140.34 57.08 Favored 'Trans proline' 0 C--N 1.365 1.409 0 C-N-CA 121.624 1.549 . . . . 0.0 112.888 -179.64 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 84.4 mttt -72.1 -22.86 61.29 Favored 'General case' 0 C--N 1.358 0.951 0 C-N-CA 119.306 -0.957 . . . . 0.0 111.471 -179.176 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 7.6 p-10 -77.39 -19.97 55.39 Favored 'General case' 0 CA--C 1.546 0.812 0 CA-C-N 114.024 -1.444 . . . . 0.0 112.699 179.39 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -92.31 -2.47 56.39 Favored 'General case' 0 CA--C 1.551 0.998 0 C-N-CA 118.745 -1.182 . . . . 0.0 112.846 178.05 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -130.9 159.08 43.2 Favored 'Isoleucine or valine' 0 C--N 1.358 0.972 0 CA-C-O 122.514 1.149 . . . . 0.0 110.496 179.141 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 70.5 tt0 . . . . . 0 C--N 1.35 0.602 0 CA-C-N 111.703 -2.498 . . . . 0.0 105.461 176.694 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 87.5 t . . . . . 0 CA--C 1.551 0.986 0 N-CA-C 112.607 0.595 . . . . 0.0 112.607 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_exo -49.19 149.22 9.04 Favored 'Trans proline' 0 CA--C 1.56 1.796 0 C-N-CA 122.016 1.811 . . . . 0.0 115.283 -179.577 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_exo -47.79 159.83 0.52 Allowed 'Trans proline' 0 C--N 1.367 1.506 0 C-N-CA 124.681 3.587 . . . . 0.0 118.071 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 63.6 Cg_endo -80.91 120.99 3.93 Favored 'Trans proline' 0 C--N 1.363 1.318 0 N-CA-C 104.956 -2.748 . . . . 0.0 104.956 174.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 1.8 t -66.74 137.84 95.13 Favored Pre-proline 0 CA--C 1.546 0.8 0 CA-C-N 111.479 -2.6 . . . . 0.0 110.262 -177.257 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_exo -60.4 150.51 80.37 Favored 'Trans proline' 0 C--N 1.359 1.128 0 N-CA-C 114.957 1.099 . . . . 0.0 114.957 -179.562 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -80.65 104.76 1.63 Allowed 'Trans proline' 0 C--N 1.359 1.111 0 N-CA-C 106.85 -2.019 . . . . 0.0 106.85 176.566 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 2.2 tpt180 . . . . . 0 CA--C 1.548 0.871 0 CA-C-N 113.409 -1.723 . . . . 0.0 110.069 -178.039 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 32.1 tpp . . . . . 0 N--CA 1.448 -0.562 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 42.1 mm-40 -83.06 114.49 21.33 Favored 'General case' 0 C--N 1.349 0.551 0 CA-C-N 113.651 -1.613 . . . . 0.0 107.536 179.436 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -101.69 153.9 19.36 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 111.145 -2.752 . . . . 0.0 111.147 -177.505 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 63.0 mt -146.21 110.47 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.348 0.543 0 CA-C-N 112.661 -2.063 . . . . 0.0 108.728 -179.098 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -67.37 126.04 28.0 Favored 'General case' 0 CA--C 1.552 1.031 0 CA-C-N 114.7 -1.136 . . . . 0.0 108.929 177.595 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 39.6 mtmt -87.88 -23.96 23.8 Favored 'General case' 0 C--N 1.341 0.235 0 CA-C-N 113.822 -1.535 . . . . 0.0 111.818 179.676 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.521 ' CE1' ' HD3' ' B' ' 2' ' ' PRO . 64.9 m-85 -139.98 171.95 13.46 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 113.038 -1.892 . . . . 0.0 111.462 -178.251 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -85.92 133.89 33.92 Favored 'General case' 0 N--CA 1.444 -0.752 0 CA-C-N 109.127 -3.669 . . . . 0.0 104.259 177.391 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 28.1 t80 -140.41 149.06 42.15 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-N 110.134 -3.212 . . . . 0.0 110.689 -178.675 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.79 126.4 32.29 Favored 'General case' 0 CA--C 1.537 0.481 0 CA-C-N 109.981 -3.282 . . . . 0.0 106.961 178.085 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -52.1 153.0 2.9 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-O 123.24 1.495 . . . . 0.0 112.723 179.633 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.422 ' HG1' ' CD ' ' A' ' 16' ' ' GLU . 18.2 p -109.54 -12.57 14.67 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 110.376 -3.102 . . . . 0.0 111.21 179.566 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -151.03 164.75 35.7 Favored 'General case' 0 C--N 1.349 0.55 0 CA-C-N 112.992 -1.913 . . . . 0.0 109.136 -178.651 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -66.17 -26.85 67.6 Favored 'General case' 0 CA--C 1.549 0.94 0 CA-C-N 111.944 -2.389 . . . . 0.0 112.294 -178.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -78.75 -18.59 53.98 Favored 'General case' 0 C--N 1.354 0.794 0 CA-C-N 113.828 -1.533 . . . . 0.0 112.202 179.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.422 ' CD ' ' HG1' ' A' ' 12' ' ' THR . 30.4 mt-10 -98.96 158.0 15.94 Favored 'General case' 0 C--N 1.347 0.471 0 CA-C-N 113.257 -1.792 . . . . 0.0 107.736 179.65 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -134.32 157.12 47.15 Favored 'General case' 0 C--N 1.35 0.588 0 CA-C-N 113.21 -1.814 . . . . 0.0 109.276 179.39 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 49.7 m -86.81 157.88 19.48 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-N 110.78 -2.918 . . . . 0.0 111.65 -177.615 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 30.8 p90 -160.55 152.98 20.63 Favored 'General case' 0 C--O 1.22 -0.456 0 CA-C-N 111.717 -2.492 . . . . 0.0 107.147 177.163 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 39.5 mtmt -106.38 144.12 33.52 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-N 112.308 -2.224 . . . . 0.0 107.181 -179.61 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 6.1 tmm_? -45.94 102.41 0.03 OUTLIER 'General case' 0 CA--C 1.549 0.907 0 O-C-N 125.519 1.762 . . . . 0.0 111.184 177.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 123.52 -6.06 9.2 Favored Glycine 0 C--N 1.352 1.455 0 CA-C-N 113.544 -1.662 . . . . 0.0 114.596 179.592 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 71.2 m-20 -75.94 143.12 41.8 Favored 'General case' 0 C--N 1.365 1.248 0 C-N-CA 116.204 -2.198 . . . . 0.0 108.646 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 89.8 mt -98.18 126.99 51.08 Favored 'Isoleucine or valine' 0 C--N 1.341 0.206 0 N-CA-C 103.536 -2.764 . . . . 0.0 103.536 179.163 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -101.87 168.92 9.12 Favored 'General case' 0 CA--C 1.508 -0.661 0 CA-C-O 123.628 1.68 . . . . 0.0 110.198 -177.649 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 12.4 tmtt? -117.91 107.27 13.88 Favored 'General case' 0 C--O 1.215 -0.754 0 CA-C-N 108.593 -3.912 . . . . 0.0 108.832 -179.502 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 10.1 t -87.84 131.06 36.45 Favored 'Isoleucine or valine' 0 C--N 1.346 0.456 0 C-N-CA 116.265 -2.174 . . . . 0.0 108.173 -177.08 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 27.2 tp -143.94 80.95 1.67 Allowed 'General case' 0 N--CA 1.447 -0.612 0 CA-C-N 109.692 -3.413 . . . . 0.0 105.681 -177.265 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 80.3 m-20 . . . . . 0 C--N 1.349 0.578 0 CA-C-N 109.901 -3.318 . . . . 0.0 107.663 -177.883 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 12.6 m120 . . . . . 0 N--CA 1.442 -0.842 0 CA-C-O 119.247 -0.406 . . . . 0.0 110.46 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 84.9 m95 -137.23 147.02 45.5 Favored 'General case' 0 C--N 1.357 0.898 0 CA-C-O 122.773 1.273 . . . . 0.0 110.691 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -129.59 149.71 51.23 Favored 'General case' 0 C--O 1.219 -0.519 0 CA-C-N 111.264 -2.698 . . . . 0.0 108.051 178.222 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 38.3 ttmt -103.42 116.21 31.99 Favored 'General case' 0 CA--C 1.536 0.412 0 N-CA-C 105.397 -2.075 . . . . 0.0 105.397 176.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -137.2 178.35 7.16 Favored 'General case' 0 C--N 1.351 0.663 0 C-N-CA 118.573 -1.251 . . . . 0.0 111.129 -179.425 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -129.74 146.93 51.48 Favored 'General case' 0 C--N 1.361 1.078 0 CA-C-O 123.016 1.388 . . . . 0.0 112.677 -177.261 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . 0.333 9.4 mt -161.11 138.45 9.04 Favored 'General case' 0 C--N 1.353 0.727 0 CA-C-N 110.15 -3.204 . . . . 0.0 112.681 178.66 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 56.29 28.76 13.83 Favored 'General case' 0 CA--C 1.549 0.921 0 CA-C-N 111.995 -2.366 . . . . 0.0 115.162 170.895 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 72.52 21.6 79.41 Favored Glycine 0 CA--C 1.541 1.695 0 CA-C-N 114.511 -1.222 . . . . 0.0 113.386 -179.468 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -137.08 114.71 11.16 Favored 'General case' 0 C--N 1.35 0.623 0 CA-C-N 113.64 -1.28 . . . . 0.0 108.118 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -97.5 137.9 35.74 Favored 'General case' 0 CA--C 1.551 0.991 0 CA-C-N 113.765 -1.561 . . . . 0.0 107.862 179.435 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -169.39 175.12 43.75 Favored Glycine 0 C--N 1.348 1.211 0 CA-C-N 113.574 -1.648 . . . . 0.0 112.493 -178.372 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -80.57 149.66 29.84 Favored 'General case' 0 CA--C 1.542 0.661 0 CA-C-N 113.622 -1.289 . . . . 0.0 111.345 179.521 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 31.2 pt -140.65 141.21 24.24 Favored Pre-proline 0 CA--C 1.549 0.923 0 CA-C-N 111.924 -2.398 . . . . 0.0 107.446 179.384 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 5.4 Cg_endo -74.06 144.79 34.44 Favored 'Trans proline' 0 C--N 1.362 1.288 0 C-N-CA 121.761 1.641 . . . . 0.0 113.1 179.447 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 36.6 mtmt -71.59 -33.19 68.82 Favored 'General case' 0 C--N 1.362 1.134 0 C-N-CA 116.431 -2.107 . . . . 0.0 112.308 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . 0.352 0.9 OUTLIER -69.34 -9.01 51.42 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 117.213 -1.795 . . . . 0.0 114.221 -179.872 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 15.1 m-85 -95.31 -4.76 44.96 Favored 'General case' 0 C--N 1.354 0.784 0 C-N-CA 119.407 -0.917 . . . . 0.0 112.253 177.39 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.413 ' CG1' ' N ' ' A' ' 54' ' ' GLU . 0.1 OUTLIER -128.4 166.23 26.14 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.035 0 CA-C-O 123.125 1.441 . . . . 0.0 110.937 179.18 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.413 ' N ' ' CG1' ' A' ' 53' ' ' ILE . 36.1 tt0 . . . . . 0 CA--C 1.545 0.762 0 CA-C-N 110.6 -3.0 . . . . 0.0 106.132 177.475 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 1' ' ' VAL . . . . . 0.412 ' N ' ' HD2' ' B' ' 2' ' ' PRO 2.308 7.5 p . . . . . 0 CA--C 1.556 1.202 0 N-CA-C 115.377 1.621 . . . . 0.0 115.377 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 2' ' ' PRO . . . . . 0.521 ' HD3' ' CE1' ' A' ' 7' ' ' TYR 0.393 51.9 Cg_exo 10.25 113.21 0.0 OUTLIER 'Trans proline' 0 CA--C 1.563 1.971 1 C-N-CA 127.249 5.299 . . . . 0.0 119.74 -178.865 . . . . . . . . 4 3 . 1 . 002 nuclear orig core ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo -40.31 158.47 0.04 OUTLIER 'Trans proline' 0 C--N 1.38 2.198 1 C-N-CA 125.381 4.054 . . . . 0.0 119.272 -177.319 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_endo -73.19 112.53 3.55 Favored 'Trans proline' 0 C--N 1.359 1.131 0 N-CA-C 105.213 -2.649 . . . . 0.0 105.213 175.63 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 2.4 t -57.94 135.8 83.66 Favored Pre-proline 0 CA--C 1.546 0.822 0 CA-C-N 111.322 -2.672 . . . . 0.0 109.547 -177.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -56.87 160.86 11.4 Favored 'Trans proline' 0 C--N 1.362 1.254 0 N-CA-C 115.371 1.258 . . . . 0.0 115.371 -178.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -77.23 115.93 4.06 Favored 'Trans proline' 0 C--N 1.358 1.073 0 N-CA-C 108.204 -1.499 . . . . 0.0 108.204 176.585 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.35 0.618 0 CA-C-O 123.729 1.728 . . . . 0.0 106.904 178.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 51.5 ttm . . . . . 0 N--CA 1.448 -0.549 0 N-CA-C 106.095 -1.817 . . . . 0.0 106.095 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -81.02 120.66 25.08 Favored 'General case' 0 C--N 1.356 0.856 0 CA-C-N 112.711 -2.041 . . . . 0.0 107.137 179.513 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -103.13 142.33 34.32 Favored 'General case' 0 CA--C 1.535 0.404 0 CA-C-N 111.434 -2.621 . . . . 0.0 108.596 -178.552 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 87.4 mt -137.85 116.24 13.66 Favored 'Isoleucine or valine' 0 C--N 1.348 0.543 0 CA-C-N 113.248 -1.796 . . . . 0.0 109.379 -176.399 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -67.28 123.02 19.18 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 113.559 -1.655 . . . . 0.0 109.586 178.214 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 35.3 mtmt -88.04 -23.43 23.77 Favored 'General case' 0 C--N 1.343 0.32 0 CA-C-N 113.678 -1.601 . . . . 0.0 110.798 179.003 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.409 ' CG ' ' HB3' ' B' ' 2' ' ' PRO . 97.1 m-85 -139.98 168.82 18.93 Favored 'General case' 0 C--N 1.348 0.529 0 CA-C-N 113.22 -1.809 . . . . 0.0 111.576 -178.575 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -85.18 129.38 34.81 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 109.906 -3.315 . . . . 0.0 107.778 179.547 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 16.5 t80 -139.05 150.96 46.36 Favored 'General case' 0 C--N 1.348 0.537 0 CA-C-N 112.098 -2.319 . . . . 0.0 112.599 -177.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.34 115.72 12.68 Favored 'General case' 0 CA--C 1.544 0.719 0 CA-C-N 108.571 -3.922 . . . . 0.0 107.417 178.492 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -50.31 163.28 0.17 Allowed 'General case' 0 N--CA 1.477 0.896 0 CA-C-N 113.591 -1.641 . . . . 0.0 114.293 -179.771 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.0 p -108.25 -17.08 14.1 Favored 'General case' 0 C--N 1.35 0.613 0 CA-C-N 110.465 -3.061 . . . . 0.0 112.112 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -152.42 176.4 11.69 Favored 'General case' 0 C--N 1.348 0.532 0 CA-C-N 113.321 -1.763 . . . . 0.0 111.301 -178.638 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -71.43 -24.3 62.01 Favored 'General case' 0 CA--C 1.55 0.965 0 CA-C-N 110.78 -2.918 . . . . 0.0 112.43 -179.11 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -80.28 -21.94 42.14 Favored 'General case' 0 CA--C 1.547 0.84 0 CA-C-N 114.385 -1.279 . . . . 0.0 111.545 179.026 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -99.76 157.19 16.67 Favored 'General case' 0 C--N 1.349 0.577 0 CA-C-N 113.145 -1.843 . . . . 0.0 108.464 179.24 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . 0.29 3.7 pp -137.73 161.42 36.57 Favored 'General case' 0 C--N 1.351 0.669 0 CA-C-O 124.155 1.931 . . . . 0.0 111.976 177.863 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 31.1 m -86.85 150.73 23.91 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-N 109.013 -3.721 . . . . 0.0 113.37 -176.367 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 43.6 p90 -160.42 142.92 13.08 Favored 'General case' 0 C--O 1.217 -0.654 0 CA-C-N 109.564 -3.471 . . . . 0.0 106.134 178.415 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -106.3 153.39 22.25 Favored 'General case' 0 C--O 1.222 -0.384 0 N-CA-C 104.842 -2.281 . . . . 0.0 104.842 179.349 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 34.1 ttp85 -47.39 111.44 0.41 Allowed 'General case' 0 CA--C 1.547 0.864 0 O-C-N 124.776 1.298 . . . . 0.0 112.151 178.473 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 114.38 -3.85 23.5 Favored Glycine 0 C--N 1.346 1.132 0 CA-C-N 112.486 -2.143 . . . . 0.0 114.198 179.393 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -75.63 145.03 41.39 Favored 'General case' 0 C--N 1.369 1.414 0 C-N-CA 115.802 -2.359 . . . . 0.0 108.833 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -97.65 125.65 50.76 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.127 0 CA-C-N 112.342 -2.208 . . . . 0.0 107.151 178.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.464 ' CD1' ' CD1' ' A' ' 41' ' ' LEU . 0.4 OUTLIER -104.32 176.31 5.2 Favored 'General case' 0 C--N 1.352 0.68 0 CA-C-N 113.062 -1.881 . . . . 0.0 109.225 -179.287 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 48.9 tptt -130.0 109.08 10.59 Favored 'General case' 0 C--O 1.215 -0.749 0 CA-C-N 109.503 -3.499 . . . . 0.0 108.817 -178.509 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 31.3 t -88.2 116.15 29.61 Favored 'Isoleucine or valine' 0 C--N 1.344 0.333 0 C-N-CA 117.967 -1.493 . . . . 0.0 109.613 -175.591 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 49.8 tp -93.41 -54.12 3.8 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 110.235 -3.166 . . . . 0.0 110.432 -179.654 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 74.8 m-20 . . . . . 0 C--N 1.355 0.844 0 CA-C-N 113.76 -1.564 . . . . 0.0 111.679 -178.483 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 7.0 m120 . . . . . 0 CA--C 1.545 0.786 0 N-CA-C 108.79 -0.818 . . . . 0.0 108.79 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 68.1 m95 -133.12 161.77 33.53 Favored 'General case' 0 C--N 1.361 1.079 0 CA-C-O 122.306 1.05 . . . . 0.0 109.3 -179.295 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 -132.38 146.6 52.08 Favored 'General case' 0 C--N 1.348 0.509 0 CA-C-N 112.169 -2.287 . . . . 0.0 108.048 178.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 82.6 tttt -104.51 110.68 23.06 Favored 'General case' 0 C--N 1.35 0.627 0 N-CA-C 105.438 -2.06 . . . . 0.0 105.438 176.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -134.6 -176.45 4.23 Favored 'General case' 0 C--N 1.359 0.989 0 O-C-N 124.636 1.21 . . . . 0.0 109.921 -178.356 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 9.8 tm-20 -134.29 146.22 49.8 Favored 'General case' 0 C--N 1.363 1.153 0 CA-C-O 123.043 1.401 . . . . 0.0 112.859 -177.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.464 ' CD1' ' CD1' ' A' ' 25' ' ' LEU 0.351 10.6 mt -160.95 143.21 12.44 Favored 'General case' 0 C--N 1.35 0.601 0 CA-C-N 110.365 -3.107 . . . . 0.0 113.103 179.123 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 57.09 29.91 17.36 Favored 'General case' 0 CA--C 1.545 0.78 0 CA-C-N 110.969 -2.832 . . . . 0.0 115.252 171.09 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 80.56 8.96 87.0 Favored Glycine 0 C--N 1.351 1.402 0 CA-C-N 114.182 -1.372 . . . . 0.0 113.851 -179.589 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.86 135.43 39.76 Favored 'General case' 0 C--N 1.351 0.66 0 CA-C-O 121.923 0.868 . . . . 0.0 109.738 -178.627 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -97.71 144.51 27.27 Favored 'General case' 0 CA--C 1.546 0.808 0 N-CA-C 105.533 -2.025 . . . . 0.0 105.533 177.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -173.09 170.41 43.56 Favored Glycine 0 C--N 1.346 1.084 0 CA-C-N 114.174 -1.375 . . . . 0.0 112.204 -178.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -80.67 142.61 33.77 Favored 'General case' 0 C--N 1.348 0.503 0 CA-C-N 112.374 -1.913 . . . . 0.0 111.213 179.713 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 28.2 pt -138.9 142.61 34.25 Favored Pre-proline 0 CA--C 1.546 0.807 0 CA-C-N 111.114 -2.766 . . . . 0.0 106.202 179.35 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 0.9 OUTLIER -71.91 145.14 44.73 Favored 'Trans proline' 0 C--N 1.362 1.284 0 C-N-CA 121.329 1.352 . . . . 0.0 112.283 179.557 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 64.6 mttt -71.32 -24.21 62.08 Favored 'General case' 0 C--N 1.355 0.829 0 C-N-CA 118.038 -1.465 . . . . 0.0 112.538 -179.73 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 9.2 p-10 -76.96 -16.74 59.26 Favored 'General case' 0 CA--C 1.544 0.717 0 CA-C-N 113.969 -1.469 . . . . 0.0 113.049 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -93.7 -5.61 48.12 Favored 'General case' 0 CA--C 1.554 1.111 0 C-N-CA 118.812 -1.155 . . . . 0.0 113.304 178.687 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -130.27 162.94 37.17 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.096 0 CA-C-O 123.26 1.505 . . . . 0.0 111.311 179.185 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 . . . . . 0 CA--C 1.544 0.736 0 CA-C-N 110.261 -3.154 . . . . 0.0 106.496 176.473 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 7.2 p . . . . . 0 CA--C 1.546 0.795 0 N-CA-C 107.535 -1.283 . . . . 0.0 107.535 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 2' ' ' PRO . . . . . 0.409 ' HB3' ' CG ' ' A' ' 7' ' ' TYR . 1.0 OUTLIER -71.02 164.56 35.32 Favored 'Trans proline' 0 CA--C 1.552 1.388 0 N-CA-C 114.885 1.071 . . . . 0.0 114.885 -178.428 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_exo -42.0 155.7 0.09 OUTLIER 'Trans proline' 0 C--N 1.369 1.641 1 C-N-CA 125.325 4.017 . . . . 0.0 118.143 179.556 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -76.5 121.19 5.89 Favored 'Trans proline' 0 C--N 1.364 1.386 0 N-CA-C 105.72 -2.454 . . . . 0.0 105.72 176.062 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 1.8 t -68.18 135.89 91.47 Favored Pre-proline 0 N--CA 1.44 -0.969 0 CA-C-N 111.267 -2.697 . . . . 0.0 110.793 -177.211 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_exo -60.85 160.65 24.46 Favored 'Trans proline' 0 C--N 1.36 1.15 0 C-N-CA 121.322 1.348 . . . . 0.0 114.751 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -83.12 110.71 1.81 Allowed 'Trans proline' 0 CA--C 1.547 1.157 0 C-N-CA 120.926 1.084 . . . . 0.0 109.847 176.616 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.349 0.578 0 N-CA-C 107.05 -1.463 . . . . 0.0 107.05 178.389 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.7 ptt? . . . . . 0 C--O 1.226 -0.161 0 CA-C-O 122.006 0.908 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -97.18 128.22 43.87 Favored 'General case' 0 C--N 1.352 0.696 0 CA-C-N 112.104 -2.316 . . . . 0.0 108.241 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . 0.455 ' CB ' ' HB2' ' A' ' 25' ' ' LEU . . . -109.01 142.56 39.5 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 111.124 -2.762 . . . . 0.0 105.795 179.105 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 74.6 mt -140.26 122.17 15.56 Favored 'Isoleucine or valine' 0 C--N 1.35 0.619 0 CA-C-N 115.387 -0.824 . . . . 0.0 109.502 -177.637 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -66.43 128.23 35.39 Favored 'General case' 0 CA--C 1.555 1.138 0 CA-C-O 122.481 1.134 . . . . 0.0 110.546 178.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.4 mmpt? -87.98 -32.5 18.82 Favored 'General case' 0 C--N 1.344 0.34 0 CA-C-N 112.667 -2.061 . . . . 0.0 111.06 179.749 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 -140.43 174.02 10.92 Favored 'General case' 0 C--N 1.344 0.363 0 O-C-N 126.014 2.072 . . . . 0.0 109.801 -178.767 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 57.1 t0 -87.97 135.1 33.56 Favored 'General case' 0 C--N 1.353 0.728 0 CA-C-N 112.173 -2.285 . . . . 0.0 106.452 179.133 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 28.5 t80 -140.49 149.68 42.81 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 110.883 -2.871 . . . . 0.0 111.286 -178.612 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 47.7 mmtm -133.88 123.31 24.5 Favored 'General case' 0 N--CA 1.455 -0.213 0 CA-C-N 110.75 -2.932 . . . . 0.0 108.076 177.119 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -52.14 155.66 1.86 Allowed 'General case' 0 N--CA 1.475 0.778 0 CA-C-N 112.56 -2.109 . . . . 0.0 113.515 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -120.44 2.79 10.78 Favored 'General case' 0 CA--C 1.548 0.866 0 CA-C-N 111.868 -2.424 . . . . 0.0 110.289 178.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -152.23 162.84 40.54 Favored 'General case' 0 C--N 1.35 0.611 0 CA-C-O 123.581 1.658 . . . . 0.0 110.033 -179.387 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -68.67 -23.36 64.39 Favored 'General case' 0 CA--C 1.55 0.954 0 CA-C-N 109.814 -3.357 . . . . 0.0 111.982 179.679 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -87.69 -18.73 28.88 Favored 'General case' 0 CA--C 1.545 0.783 0 CA-C-N 114.092 -1.413 . . . . 0.0 112.108 179.717 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -101.21 156.53 17.38 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 112.806 -1.997 . . . . 0.0 108.704 179.504 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . 0.345 4.3 pp -138.1 160.89 38.2 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 113.287 -1.779 . . . . 0.0 110.507 177.351 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . 0.259 47.1 m -85.43 157.4 20.49 Favored 'General case' 0 N--CA 1.445 -0.676 0 CA-C-N 109.72 -3.4 . . . . 0.0 112.128 -176.221 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 38.2 p90 -160.16 149.43 17.57 Favored 'General case' 0 C--O 1.222 -0.366 0 CA-C-N 109.705 -3.407 . . . . 0.0 106.92 177.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 14.2 mttt -106.74 143.77 34.37 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 111.706 -2.497 . . . . 0.0 106.324 -179.613 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.9 100.89 0.02 OUTLIER 'General case' 0 CA--C 1.551 1.002 0 O-C-N 125.072 1.483 . . . . 0.0 112.157 178.049 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 119.85 3.83 11.96 Favored Glycine 0 C--N 1.352 1.451 0 CA-C-N 113.429 -1.714 . . . . 0.0 115.121 179.271 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 50.5 m-20 -74.64 151.5 39.31 Favored 'General case' 0 C--N 1.364 1.22 0 C-N-CA 116.903 -1.919 . . . . 0.0 108.623 179.387 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 4.2 pt -100.38 120.07 49.34 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.672 0 CA-C-N 112.448 -2.16 . . . . 0.0 106.959 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.455 ' HB2' ' CB ' ' A' ' 3' ' ' ALA 0.304 0.8 OUTLIER -104.45 161.43 14.1 Favored 'General case' 0 N--CA 1.446 -0.641 0 CA-C-N 111.98 -2.373 . . . . 0.0 112.386 -178.368 . . . . . . . . 4 4 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 26.7 tptp -110.9 125.66 53.89 Favored 'General case' 0 C--O 1.213 -0.84 1 CA-C-N 108.174 -4.103 . . . . 0.0 104.523 176.394 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 87.0 t -91.8 123.08 43.79 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.581 0 C-N-CA 116.296 -2.162 . . . . 0.0 106.482 -179.741 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 61.4 tp -93.52 -69.55 0.74 Allowed 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 113.341 -1.754 . . . . 0.0 111.222 -178.556 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 14.0 t30 . . . . . 0 C--N 1.354 0.772 0 CA-C-N 113.129 -1.85 . . . . 0.0 109.193 -179.327 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 28.8 m120 . . . . . 0 CA--C 1.546 0.823 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 77.8 m95 -136.21 145.43 45.68 Favored 'General case' 0 C--N 1.362 1.122 0 O-C-N 124.134 0.896 . . . . 0.0 110.146 -178.732 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 19.8 m-85 -129.93 147.19 51.67 Favored 'General case' 0 C--N 1.351 0.648 0 CA-C-N 112.944 -1.934 . . . . 0.0 108.239 179.027 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 82.4 tttt -101.43 120.94 41.05 Favored 'General case' 0 C--N 1.349 0.553 0 N-CA-C 106.063 -1.828 . . . . 0.0 106.063 177.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -133.83 165.85 24.03 Favored 'General case' 0 C--N 1.356 0.851 0 O-C-N 124.199 0.937 . . . . 0.0 111.155 -178.066 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -105.32 134.74 47.93 Favored 'General case' 0 C--N 1.367 1.35 0 O-C-N 124.781 1.301 . . . . 0.0 111.174 -178.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.419 ' CD1' ' CD1' ' A' ' 25' ' ' LEU 0.312 9.5 mt -162.12 142.03 9.93 Favored 'General case' 0 C--N 1.354 0.769 0 CA-C-N 111.028 -2.805 . . . . 0.0 113.149 178.333 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 54.57 42.32 31.37 Favored 'General case' 0 C--N 1.35 0.594 0 CA-C-N 110.334 -3.121 . . . . 0.0 114.542 170.751 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 68.4 14.01 66.08 Favored Glycine 0 CA--C 1.537 1.451 0 CA-C-N 113.177 -1.829 . . . . 0.0 114.322 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.44 ' HB2' ' HZ3' ' A' ' 44' ' ' LYS . 10.7 mtmp? -134.98 178.36 7.08 Favored 'General case' 0 C--N 1.354 0.783 0 CA-C-O 121.928 0.871 . . . . 0.0 108.733 -179.48 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -142.18 138.1 31.29 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-N 112.597 -2.092 . . . . 0.0 107.36 179.195 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -170.84 173.48 44.58 Favored Glycine 0 C--N 1.348 1.198 0 C-N-CA 118.123 -1.989 . . . . 0.0 111.949 -178.415 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -79.6 141.9 36.14 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 112.204 -1.998 . . . . 0.0 111.907 -178.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 40.0 pt -137.96 137.61 21.68 Favored Pre-proline 0 CA--C 1.544 0.717 0 CA-C-N 111.781 -2.463 . . . . 0.0 106.925 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 1.7 Cg_endo -67.85 137.61 42.12 Favored 'Trans proline' 0 C--N 1.366 1.459 0 C-N-CA 121.068 1.179 . . . . 0.0 111.808 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 15.6 ptpt -71.56 -18.87 62.22 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 116.214 -2.194 . . . . 0.0 113.577 -179.3 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . 0.299 0.6 OUTLIER -80.96 -12.72 59.34 Favored 'General case' 0 C--N 1.36 1.055 0 C-N-CA 118.787 -1.165 . . . . 0.0 111.573 178.424 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.416 ' CE1' HG23 ' B' ' 5' ' ' VAL . 9.5 m-85 -93.16 4.52 53.85 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 119.533 -0.867 . . . . 0.0 112.181 176.438 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -135.03 165.91 29.73 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.208 0 CA-C-O 122.623 1.201 . . . . 0.0 111.422 178.385 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 . . . . . 0 C--N 1.352 0.713 0 C-N-CA 128.464 2.706 . . . . 0.0 106.368 177.426 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 59.2 t . . . . . 0 CA--C 1.546 0.817 0 N-CA-C 107.855 -1.165 . . . . 0.0 107.855 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 22.6 Cg_exo -61.1 162.86 18.25 Favored 'Trans proline' 0 CA--C 1.558 1.693 0 C-N-CA 121.344 1.362 . . . . 0.0 113.99 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -45.15 157.77 0.22 Allowed 'Trans proline' 0 C--N 1.365 1.408 0 C-N-CA 125.04 3.827 . . . . 0.0 118.119 178.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -78.51 120.69 4.9 Favored 'Trans proline' 0 C--N 1.366 1.465 0 N-CA-C 105.93 -2.373 . . . . 0.0 105.93 175.237 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . 0.416 HG23 ' CE1' ' A' ' 52' ' ' TYR . 2.3 t -65.7 139.09 96.88 Favored Pre-proline 0 CA--C 1.546 0.801 0 CA-C-N 111.683 -2.508 . . . . 0.0 110.848 -177.311 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 26.0 Cg_exo -60.99 159.93 27.76 Favored 'Trans proline' 0 C--N 1.362 1.275 0 O-C-N 123.216 1.114 . . . . 0.0 112.421 178.195 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -76.39 110.52 3.08 Favored 'Trans proline' 0 CA--C 1.542 0.891 0 N-CA-C 107.777 -1.663 . . . . 0.0 107.777 176.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 3.4 tmt_? . . . . . 0 C--N 1.35 0.625 0 CA-C-N 114.079 -1.419 . . . . 0.0 108.529 -179.506 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.6 tpt . . . . . 0 N--CA 1.446 -0.644 0 N-CA-C 106.238 -1.764 . . . . 0.0 106.238 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -76.92 151.29 35.81 Favored 'General case' 0 C--N 1.355 0.818 0 N-CA-C 105.995 -1.854 . . . . 0.0 105.995 178.351 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . 0.422 ' CB ' ' HB2' ' A' ' 25' ' ' LEU . . . -141.78 133.76 27.46 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-N 112.723 -2.035 . . . . 0.0 106.67 179.571 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 61.4 mt -142.07 122.8 11.72 Favored 'Isoleucine or valine' 0 C--N 1.351 0.648 0 CA-C-O 121.915 0.864 . . . . 0.0 109.987 -176.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -67.34 121.63 16.14 Favored 'General case' 0 CA--C 1.551 1.007 0 CA-C-N 112.995 -1.911 . . . . 0.0 111.591 178.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 35.1 mtmt -88.33 -22.28 23.93 Favored 'General case' 0 C--N 1.346 0.451 0 CA-C-N 113.404 -1.725 . . . . 0.0 110.185 178.189 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -138.61 168.91 18.76 Favored 'General case' 0 C--N 1.347 0.484 0 CA-C-N 112.807 -1.997 . . . . 0.0 109.491 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -92.81 126.75 38.04 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 111.072 -2.786 . . . . 0.0 106.333 178.751 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 35.6 t80 -140.25 154.37 46.84 Favored 'General case' 0 C--N 1.344 0.342 0 CA-C-N 112.515 -2.13 . . . . 0.0 111.13 -178.53 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 32.9 mmtp -132.91 128.69 37.1 Favored 'General case' 0 C--O 1.224 -0.265 0 CA-C-N 110.559 -3.018 . . . . 0.0 107.51 177.535 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -51.89 156.66 1.43 Allowed 'General case' 0 C--N 1.354 0.761 0 O-C-N 125.672 1.857 . . . . 0.0 113.329 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.409 ' HG1' ' CD ' ' A' ' 16' ' ' GLU . 26.9 p -109.14 -12.15 14.84 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 109.676 -3.42 . . . . 0.0 111.527 179.586 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -151.16 167.07 28.89 Favored 'General case' 0 C--N 1.349 0.582 0 CA-C-N 112.95 -1.932 . . . . 0.0 111.465 -177.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -67.83 -22.45 65.15 Favored 'General case' 0 CA--C 1.554 1.098 0 CA-C-N 109.727 -3.397 . . . . 0.0 112.832 -179.652 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -89.6 -16.58 30.25 Favored 'General case' 0 C--N 1.357 0.929 0 CA-C-N 115.113 -0.949 . . . . 0.0 111.428 179.377 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.409 ' CD ' ' HG1' ' A' ' 12' ' ' THR . 32.4 mt-10 -100.57 157.41 16.68 Favored 'General case' 0 C--N 1.349 0.573 0 CA-C-N 113.074 -1.875 . . . . 0.0 108.355 179.347 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . 0.278 4.1 pp -135.71 157.99 45.51 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 112.977 -1.92 . . . . 0.0 110.675 177.42 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 51.0 m -85.86 162.24 18.71 Favored 'General case' 0 N--CA 1.445 -0.689 0 CA-C-N 109.486 -3.506 . . . . 0.0 111.979 -176.742 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.41 ' HB3' ' CD1' ' A' ' 41' ' ' LEU . 29.7 p90 -160.06 153.89 22.87 Favored 'General case' 0 C--N 1.345 0.408 0 CA-C-N 110.159 -3.2 . . . . 0.0 107.986 177.552 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 32.4 mttt -107.86 139.01 43.09 Favored 'General case' 0 N--CA 1.446 -0.629 0 CA-C-N 111.462 -2.608 . . . . 0.0 105.666 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 4.6 tmt_? -46.18 101.3 0.02 OUTLIER 'General case' 0 CA--C 1.554 1.122 0 O-C-N 124.862 1.351 . . . . 0.0 111.941 177.749 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 115.7 12.72 9.23 Favored Glycine 0 C--N 1.352 1.466 0 CA-C-N 113.458 -1.701 . . . . 0.0 115.137 179.31 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 56.6 m-20 -73.02 161.09 31.09 Favored 'General case' 0 C--N 1.363 1.183 0 C-N-CA 117.742 -1.583 . . . . 0.0 109.7 179.042 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 88.8 mt -103.04 109.17 26.07 Favored 'Isoleucine or valine' 0 C--N 1.351 0.645 0 N-CA-C 104.565 -2.383 . . . . 0.0 104.565 177.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.422 ' HB2' ' CB ' ' A' ' 3' ' ' ALA . 3.9 mp -106.94 164.81 11.82 Favored 'General case' 0 C--N 1.348 0.53 0 CA-C-N 112.894 -1.957 . . . . 0.0 109.373 -177.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 28.6 mtpt -133.19 105.81 7.22 Favored 'General case' 0 C--O 1.218 -0.556 0 CA-C-N 110.8 -2.909 . . . . 0.0 110.815 178.713 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.9 t -88.46 108.79 19.15 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.628 0 N-CA-C 104.804 -2.295 . . . . 0.0 104.804 -179.083 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 67.7 tp -90.26 -33.91 15.96 Favored 'General case' 0 N--CA 1.446 -0.625 1 CA-C-N 108.055 -4.157 . . . . 0.0 109.611 -177.393 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 5.6 p30 . . . . . 0 C--N 1.348 0.526 0 CA-C-N 113.094 -1.866 . . . . 0.0 109.383 179.77 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 9.1 m120 . . . . . 0 N--CA 1.444 -0.767 0 CA-C-O 118.981 -0.533 . . . . 0.0 109.862 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 56.8 m95 -138.32 137.24 37.2 Favored 'General case' 0 C--N 1.362 1.137 0 O-C-N 123.854 0.722 . . . . 0.0 110.119 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -112.82 148.54 34.64 Favored 'General case' 0 C--N 1.349 0.554 0 CA-C-N 114.327 -1.306 . . . . 0.0 108.559 178.544 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 76.6 tttt -102.03 93.53 5.3 Favored 'General case' 0 CA--C 1.538 0.498 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 177.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -105.31 -174.21 2.48 Favored 'General case' 0 C--N 1.356 0.867 0 CA-C-N 112.894 -1.957 . . . . 0.0 111.915 -177.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 6.7 tm-20 -130.08 134.54 47.43 Favored 'General case' 0 C--N 1.36 1.046 0 CA-C-N 114.081 -1.418 . . . . 0.0 109.922 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.41 ' CD1' ' HB3' ' A' ' 19' ' ' PHE 0.301 12.4 mt -161.06 141.83 11.38 Favored 'General case' 0 CA--C 1.508 -0.64 0 CA-C-N 111.789 -2.46 . . . . 0.0 112.515 177.549 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 54.24 38.53 29.48 Favored 'General case' 0 CA--C 1.546 0.791 0 CA-C-N 109.336 -3.575 . . . . 0.0 114.618 171.102 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 72.77 19.1 79.16 Favored Glycine 0 CA--C 1.538 1.498 0 CA-C-N 113.06 -1.882 . . . . 0.0 113.816 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 65.4 mttp -134.8 171.14 14.8 Favored 'General case' 0 C--N 1.354 0.761 0 N-CA-C 107.868 -1.16 . . . . 0.0 107.868 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -140.91 139.5 34.36 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 113.172 -1.831 . . . . 0.0 106.651 179.231 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -177.83 177.23 48.33 Favored Glycine 0 C--N 1.346 1.124 0 C-N-CA 117.007 -2.521 . . . . 0.0 111.993 -177.331 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -79.85 139.63 37.1 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 111.691 -2.254 . . . . 0.0 110.237 -179.619 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -139.66 141.03 26.68 Favored Pre-proline 0 CA--C 1.54 0.59 0 CA-C-N 112.146 -2.297 . . . . 0.0 107.165 -179.69 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 11.4 Cg_endo -71.8 133.27 21.56 Favored 'Trans proline' 0 C--N 1.363 1.29 0 C-N-CA 121.715 1.61 . . . . 0.0 112.915 -179.173 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 17.5 pttp -72.49 -15.57 61.8 Favored 'General case' 0 CA--C 1.551 1.007 0 C-N-CA 116.603 -2.039 . . . . 0.0 113.91 -179.343 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . 0.311 0.6 OUTLIER -81.57 -8.83 59.77 Favored 'General case' 0 C--N 1.363 1.156 0 C-N-CA 117.726 -1.59 . . . . 0.0 111.74 177.814 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -94.82 -9.5 34.25 Favored 'General case' 0 C--N 1.353 0.753 0 C-N-CA 119.628 -0.829 . . . . 0.0 111.754 177.498 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -131.45 161.21 41.57 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.218 0 CA-C-O 123.05 1.405 . . . . 0.0 112.849 -179.366 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 62.6 tt0 . . . . . 0 CA--C 1.547 0.832 0 CA-C-N 111.059 -2.792 . . . . 0.0 103.932 174.933 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 7.5 p . . . . . 0 CA--C 1.551 0.993 0 N-CA-C 108.144 -1.058 . . . . 0.0 108.144 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 2' ' ' PRO . . . . . . . . . . . . 0.279 52.3 Cg_exo -48.37 129.21 18.98 Favored 'Trans proline' 0 CA--C 1.579 2.754 0 N-CA-C 115.956 1.483 . . . . 0.0 115.956 -179.043 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 69.7 Cg_exo -43.1 162.14 0.05 OUTLIER 'Trans proline' 0 C--N 1.381 2.265 1 C-N-CA 126.708 4.939 . . . . 0.0 119.96 -177.297 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_endo -74.98 111.6 3.37 Favored 'Trans proline' 0 C--N 1.358 1.067 0 N-CA-C 106.728 -2.066 . . . . 0.0 106.728 175.424 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 2.1 t -62.43 137.75 96.25 Favored Pre-proline 0 CA--C 1.552 1.048 0 CA-C-N 111.408 -2.633 . . . . 0.0 109.808 -178.365 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_exo -60.29 162.71 16.45 Favored 'Trans proline' 0 C--N 1.365 1.437 0 C-N-CA 121.109 1.206 . . . . 0.0 114.978 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_endo -83.84 111.74 1.73 Allowed 'Trans proline' 0 CA--C 1.55 1.289 0 N-CA-C 108.861 -1.246 . . . . 0.0 108.861 176.102 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.351 0.636 0 N-CA-C 107.13 -1.433 . . . . 0.0 107.13 178.289 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.6 ttt . . . . . 0 N--CA 1.445 -0.72 0 N-CA-C 104.582 -2.377 . . . . 0.0 104.582 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -70.6 111.94 6.48 Favored 'General case' 0 C--N 1.357 0.911 0 CA-C-O 123.772 1.748 . . . . 0.0 109.003 -178.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -100.41 141.95 32.56 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 110.29 -3.141 . . . . 0.0 106.623 -179.315 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 89.8 mt -136.93 109.77 7.83 Favored 'Isoleucine or valine' 0 C--N 1.345 0.399 0 CA-C-N 113.23 -1.804 . . . . 0.0 109.301 -176.386 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -66.82 122.21 17.19 Favored 'General case' 0 CA--C 1.542 0.661 0 CA-C-N 113.298 -1.774 . . . . 0.0 107.626 177.248 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 30.1 mtmt -87.16 -40.45 14.6 Favored 'General case' 0 C--O 1.222 -0.344 0 CA-C-N 114.547 -1.206 . . . . 0.0 110.241 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -107.48 168.05 9.51 Favored 'General case' 0 C--N 1.345 0.378 0 CA-C-N 112.486 -2.143 . . . . 0.0 109.79 -178.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 11.3 p-10 -96.19 128.26 42.94 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 110.554 -3.021 . . . . 0.0 105.392 178.564 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 21.0 t80 -138.74 150.47 46.17 Favored 'General case' 0 N--CA 1.446 -0.627 0 CA-C-N 112.926 -1.943 . . . . 0.0 109.267 -178.641 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 35.8 tptt -129.34 118.75 22.75 Favored 'General case' 0 N--CA 1.439 -0.987 0 CA-C-N 110.634 -2.985 . . . . 0.0 107.844 179.229 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -52.52 150.75 4.69 Favored 'General case' 0 C--N 1.356 0.854 0 CA-C-O 122.713 1.244 . . . . 0.0 113.439 178.714 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -119.4 7.92 11.29 Favored 'General case' 0 CA--C 1.545 0.761 0 CA-C-N 111.111 -2.768 . . . . 0.0 110.275 179.095 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -152.3 160.55 43.32 Favored 'General case' 0 C--N 1.354 0.782 0 CA-C-N 114.226 -1.352 . . . . 0.0 109.297 -179.441 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -68.94 -21.2 64.21 Favored 'General case' 0 CA--C 1.551 0.993 0 CA-C-N 112.033 -2.349 . . . . 0.0 113.649 -178.321 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -89.04 -18.37 27.46 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 113.648 -1.615 . . . . 0.0 112.345 -179.573 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -99.83 157.02 16.8 Favored 'General case' 0 CA--C 1.541 0.617 0 CA-C-N 113.208 -1.815 . . . . 0.0 109.643 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . 0.318 3.4 pp -137.19 158.08 45.24 Favored 'General case' 0 N--CA 1.475 0.778 0 CA-C-N 112.532 -2.122 . . . . 0.0 110.766 176.544 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 32.1 m -86.2 161.94 18.57 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 109.585 -3.461 . . . . 0.0 112.668 -175.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 23.9 p90 -160.85 164.08 31.59 Favored 'General case' 0 CA--C 1.543 0.692 0 CA-C-N 111.1 -2.773 . . . . 0.0 108.457 178.035 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 26.6 pttt -134.48 103.08 5.55 Favored 'General case' 0 C--N 1.353 0.734 0 CA-C-N 114.105 -1.407 . . . . 0.0 112.125 -178.218 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 3.78 54.95 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 130.575 3.55 . . . . 0.0 118.407 178.697 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 161.81 -0.31 0.06 OUTLIER Glycine 0 CA--C 1.526 0.733 0 CA-C-N 111.736 -2.483 . . . . 0.0 113.876 179.704 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 -75.38 146.01 41.17 Favored 'General case' 0 C--N 1.358 0.958 0 C-N-CA 116.445 -2.102 . . . . 0.0 108.625 179.278 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 90.1 mt -99.8 127.04 53.06 Favored 'Isoleucine or valine' 0 C--N 1.343 0.323 0 N-CA-C 105.307 -2.109 . . . . 0.0 105.307 179.086 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -102.74 176.64 5.1 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 112.942 -1.935 . . . . 0.0 109.186 -178.733 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 13.0 ttpt -128.35 107.81 10.06 Favored 'General case' 0 C--O 1.218 -0.597 0 CA-C-N 109.774 -3.375 . . . . 0.0 108.562 -179.606 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 42.7 t -87.46 111.36 21.81 Favored 'Isoleucine or valine' 0 C--N 1.344 0.351 0 CA-C-O 123.791 1.758 . . . . 0.0 107.592 -176.71 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 55.3 tp -92.42 -40.75 10.69 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 108.969 -3.741 . . . . 0.0 111.34 -178.462 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 59.2 t30 . . . . . 0 C--N 1.358 0.949 0 C-N-CA 118.742 -1.183 . . . . 0.0 111.172 -179.013 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 47.0 m-20 . . . . . 0 N--CA 1.444 -0.735 0 CA-C-O 118.84 -0.6 . . . . 0.0 109.643 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 79.9 m95 -137.01 123.7 21.12 Favored 'General case' 0 C--N 1.36 1.054 0 CA-C-O 122.605 1.193 . . . . 0.0 111.376 -178.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 16.3 m-85 -106.08 147.82 28.49 Favored 'General case' 0 C--O 1.221 -0.413 0 CA-C-N 111.605 -2.543 . . . . 0.0 109.87 179.332 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 37.6 ttmt -102.31 102.12 12.45 Favored 'General case' 0 C--N 1.35 0.613 0 N-CA-C 106.475 -1.676 . . . . 0.0 106.475 177.752 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -116.83 -170.66 1.87 Allowed 'General case' 0 C--N 1.354 0.798 0 CA-C-N 113.658 -1.61 . . . . 0.0 110.123 -178.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -135.62 145.36 46.78 Favored 'General case' 0 C--N 1.357 0.912 0 CA-C-O 122.6 1.191 . . . . 0.0 113.171 -178.171 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . 0.306 8.4 mt -161.27 133.43 5.86 Favored 'General case' 0 C--N 1.349 0.581 0 CA-C-N 110.888 -2.869 . . . . 0.0 112.952 177.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 57.01 32.43 21.65 Favored 'General case' 0 CA--C 1.546 0.822 0 CA-C-N 112.357 -2.201 . . . . 0.0 114.768 170.851 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 73.74 18.02 79.4 Favored Glycine 0 CA--C 1.538 1.511 0 CA-C-N 113.745 -1.57 . . . . 0.0 113.732 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -134.8 128.24 32.4 Favored 'General case' 0 C--N 1.354 0.8 0 N-CA-C 107.779 -1.193 . . . . 0.0 107.779 179.587 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -99.85 147.67 25.26 Favored 'General case' 0 CA--C 1.547 0.853 0 CA-C-N 113.399 -1.728 . . . . 0.0 107.27 178.637 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -176.57 172.71 45.68 Favored Glycine 0 C--N 1.343 0.928 0 C-N-CA 118.539 -1.791 . . . . 0.0 112.968 -178.224 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 93.9 m-85 -79.91 137.18 36.83 Favored 'General case' 0 C--N 1.351 0.644 0 CA-C-N 112.132 -2.034 . . . . 0.0 110.89 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 44.6 pt -136.23 137.2 23.97 Favored Pre-proline 0 CA--C 1.544 0.714 0 CA-C-N 112.205 -2.271 . . . . 0.0 106.809 179.722 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 4.4 Cg_exo -69.2 144.89 58.58 Favored 'Trans proline' 0 C--N 1.365 1.414 0 C-N-CA 121.168 1.246 . . . . 0.0 113.179 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 44.8 mtmt -71.21 -32.12 68.44 Favored 'General case' 0 C--N 1.358 0.957 0 C-N-CA 116.6 -2.04 . . . . 0.0 112.218 179.451 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . 0.309 1.0 OUTLIER -72.32 -7.74 51.13 Favored 'General case' 0 C--N 1.358 0.963 0 C-N-CA 118.436 -1.306 . . . . 0.0 113.835 -179.606 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -94.98 -3.9 47.64 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 119.367 -0.933 . . . . 0.0 112.539 177.759 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.411 ' CG1' ' N ' ' A' ' 54' ' ' GLU . 0.1 OUTLIER -128.88 168.02 22.99 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.898 0 CA-C-O 122.807 1.289 . . . . 0.0 109.919 179.656 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.411 ' N ' ' CG1' ' A' ' 53' ' ' ILE . 8.3 tp10 . . . . . 0 CA--C 1.54 0.571 0 CA-C-N 111.061 -2.79 . . . . 0.0 104.966 176.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 5.6 p . . . . . 0 CA--C 1.551 0.983 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 2' ' ' PRO . . . . . . . . . . . . 0.252 51.4 Cg_exo -48.9 125.75 13.62 Favored 'Trans proline' 0 CA--C 1.573 2.45 0 N-CA-C 115.535 1.321 . . . . 0.0 115.535 -179.352 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_exo -42.76 164.14 0.04 OUTLIER 'Trans proline' 0 C--N 1.379 2.167 1 C-N-CA 126.095 4.53 . . . . 0.0 119.454 -177.216 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_endo -76.47 112.15 3.4 Favored 'Trans proline' 0 C--N 1.36 1.144 0 N-CA-C 105.743 -2.445 . . . . 0.0 105.743 174.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 2.0 t -65.7 139.75 97.13 Favored Pre-proline 0 CA--C 1.547 0.858 0 CA-C-N 110.914 -2.857 . . . . 0.0 109.486 -178.443 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_exo -58.95 158.98 22.9 Favored 'Trans proline' 0 C--N 1.364 1.345 0 C-N-CA 120.651 0.9 . . . . 0.0 112.528 178.573 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_endo -75.28 112.37 3.53 Favored 'Trans proline' 0 CA--C 1.542 0.901 0 N-CA-C 108.763 -1.284 . . . . 0.0 108.763 177.28 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 58.5 ttp85 . . . . . 0 C--N 1.351 0.667 0 CA-C-N 114.268 -1.333 . . . . 0.0 107.572 179.93 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 49.5 ttm . . . . . 0 N--CA 1.44 -0.962 0 N-CA-C 106.686 -1.598 . . . . 0.0 106.686 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -76.11 99.17 4.57 Favored 'General case' 0 C--N 1.351 0.643 0 CA-C-N 111.406 -2.634 . . . . 0.0 107.898 179.637 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -99.93 141.36 32.85 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 111.992 -2.367 . . . . 0.0 106.63 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 70.3 mt -144.89 103.27 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.349 0.585 0 O-C-N 125.31 1.631 . . . . 0.0 110.044 -176.683 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -67.25 125.37 25.85 Favored 'General case' 0 CA--C 1.544 0.748 0 CA-C-N 113.678 -1.601 . . . . 0.0 108.016 176.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.28 -36.43 16.69 Favored 'General case' 0 C--N 1.355 0.815 0 C-N-CA 117.481 -1.687 . . . . 0.0 110.415 -179.585 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 58.6 m-85 -100.55 170.58 8.28 Favored 'General case' 0 C--N 1.343 0.319 0 CA-C-N 112.538 -2.119 . . . . 0.0 109.407 -177.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -97.05 135.83 38.48 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 112.08 -2.327 . . . . 0.0 107.015 178.636 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 12.0 t80 -136.98 152.56 50.29 Favored 'General case' 0 C--N 1.352 0.715 0 CA-C-O 124.951 2.31 . . . . 0.0 112.013 -178.505 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.64 101.51 5.14 Favored 'General case' 0 N--CA 1.442 -0.858 1 CA-C-N 108.043 -4.162 . . . . 0.0 106.556 179.352 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -52.56 166.44 0.19 Allowed 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 112.575 -2.102 . . . . 0.0 113.032 179.338 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 45.1 p -94.26 -31.85 13.91 Favored 'General case' 0 CA--C 1.543 0.681 0 CA-C-N 108.52 -3.946 . . . . 0.0 105.475 176.557 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 59.63 88.8 0.07 Allowed 'General case' 0 C--N 1.355 0.831 0 CA-C-N 110.364 -3.107 . . . . 0.0 113.62 177.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -137.0 24.63 3.03 Favored 'General case' 0 N--CA 1.436 -1.17 1 CA-C-N 106.797 -4.729 . . . . 0.0 107.029 178.218 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . 0.37 3.8 p-10 117.09 19.94 0.0 OUTLIER 'General case' 0 C--N 1.364 1.214 1 C-N-CA 131.734 4.014 . . . . 0.0 113.142 -179.323 . . . . . . . . 3 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -102.52 165.5 11.06 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 111.995 -2.366 . . . . 0.0 111.044 178.362 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . 0.368 0.0 OUTLIER -137.54 159.37 42.13 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-N 111.197 -2.729 . . . . 0.0 111.103 174.655 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 23.9 m -87.45 164.31 16.25 Favored 'General case' 0 CA--C 1.542 0.652 0 CA-C-N 109.95 -3.296 . . . . 0.0 112.616 -178.02 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 18.2 p90 -161.44 161.69 30.29 Favored 'General case' 0 C--N 1.349 0.573 0 CA-C-N 110.726 -2.943 . . . . 0.0 108.177 178.621 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -135.5 108.8 7.79 Favored 'General case' 0 C--N 1.348 0.532 0 O-C-N 124.304 1.002 . . . . 0.0 109.496 179.674 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 2.2 tmt_? 3.44 95.31 0.01 OUTLIER 'General case' 0 CA--C 1.551 1.015 0 C-N-CA 127.092 2.157 . . . . 0.0 114.681 179.566 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 121.03 8.58 7.88 Favored Glycine 0 CA--C 1.535 1.339 0 CA-C-N 113.061 -1.882 . . . . 0.0 115.013 179.039 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -76.5 139.38 40.77 Favored 'General case' 0 C--N 1.357 0.928 0 C-N-CA 118.354 -1.338 . . . . 0.0 109.753 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 77.8 mt -102.61 119.67 51.3 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.471 0 CA-C-N 112.389 -2.187 . . . . 0.0 105.731 178.549 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.9 mp -107.15 164.3 12.28 Favored 'General case' 0 C--N 1.349 0.586 0 CA-C-O 124.056 1.884 . . . . 0.0 111.961 -177.721 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 17.5 mmmt -107.69 105.73 15.73 Favored 'General case' 0 C--O 1.214 -0.786 0 CA-C-N 108.541 -3.936 . . . . 0.0 108.216 178.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 9.2 t -87.12 121.99 38.49 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 C-N-CA 114.398 -2.921 . . . . 0.0 108.967 -175.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 35.7 tp -92.13 -51.1 5.34 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 109.534 -3.484 . . . . 0.0 111.189 -178.018 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 67.4 t30 . . . . . 0 C--N 1.359 0.995 0 C-N-CA 118.049 -1.46 . . . . 0.0 112.267 -179.44 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 29.3 m-20 . . . . . 0 N--CA 1.447 -0.601 0 CA-C-O 118.232 -0.889 . . . . 0.0 112.026 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 56.3 m95 -137.97 128.77 26.93 Favored 'General case' 0 CA--C 1.554 1.104 0 CA-C-O 122.959 1.362 . . . . 0.0 111.713 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 21.4 m-85 -110.7 135.56 51.11 Favored 'General case' 0 C--O 1.221 -0.411 0 CA-C-N 112.574 -2.103 . . . . 0.0 108.27 178.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 38.0 ttpt -100.36 110.68 22.9 Favored 'General case' 0 C--N 1.35 0.608 0 N-CA-C 106.292 -1.744 . . . . 0.0 106.292 178.376 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -132.37 163.39 28.81 Favored 'General case' 0 C--N 1.353 0.734 0 CA-C-N 114.231 -1.35 . . . . 0.0 108.281 -178.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -104.09 138.19 40.96 Favored 'General case' 0 C--N 1.352 0.688 0 O-C-N 124.885 1.366 . . . . 0.0 110.077 -176.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . 0.37 12.5 mt -159.3 132.83 7.25 Favored 'General case' 0 CA--C 1.496 -1.097 0 CA-C-N 110.817 -2.901 . . . . 0.0 111.998 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 56.47 32.11 20.12 Favored 'General case' 0 CA--C 1.548 0.893 0 CA-C-N 110.967 -2.833 . . . . 0.0 112.498 171.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 73.79 23.34 76.79 Favored Glycine 0 C--N 1.354 1.56 0 CA-C-N 112.439 -2.164 . . . . 0.0 113.447 -179.425 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -135.16 116.03 14.06 Favored 'General case' 0 C--N 1.355 0.811 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 -179.566 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -95.82 128.39 42.66 Favored 'General case' 0 CA--C 1.539 0.543 0 N-CA-C 103.809 -2.663 . . . . 0.0 103.809 177.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -174.87 172.37 45.4 Favored Glycine 0 C--N 1.341 0.806 0 CA-C-N 114.079 -1.418 . . . . 0.0 111.547 -176.244 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 76.3 m-85 -79.57 144.76 33.58 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 112.082 -2.059 . . . . 0.0 112.089 -178.631 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 6.1 pt -141.67 148.21 48.86 Favored Pre-proline 0 CA--C 1.542 0.643 0 CA-C-N 112.099 -2.319 . . . . 0.0 107.046 178.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 4.3 Cg_endo -68.33 142.66 55.57 Favored 'Trans proline' 0 C--N 1.357 1.012 0 C-N-CA 121.606 1.537 . . . . 0.0 114.253 -179.477 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 26.0 mtmt -71.91 -26.3 62.25 Favored 'General case' 0 C--N 1.366 1.311 0 C-N-CA 116.63 -2.028 . . . . 0.0 111.1 179.095 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -68.96 -18.81 64.13 Favored 'General case' 0 C--N 1.361 1.089 0 C-N-CA 118.478 -1.289 . . . . 0.0 111.76 -179.795 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 11.3 m-85 -91.91 -4.64 54.45 Favored 'General case' 0 CA--C 1.554 1.127 0 CA-C-N 113.819 -1.537 . . . . 0.0 113.396 -178.552 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -131.83 153.27 38.33 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.259 0 CA-C-O 122.276 1.036 . . . . 0.0 111.533 179.052 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 . . . . . 0 C--N 1.352 0.717 0 N-CA-C 104.262 -2.495 . . . . 0.0 104.262 174.939 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 60.7 t . . . . . 0 CA--C 1.545 0.763 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 67.4 Cg_exo -53.92 147.13 43.51 Favored 'Trans proline' 0 CA--C 1.563 1.946 0 C-N-CA 121.831 1.687 . . . . 0.0 115.723 179.355 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 44.7 Cg_exo -58.49 161.65 14.03 Favored 'Trans proline' 0 C--N 1.367 1.512 0 C-N-CA 124.02 3.147 . . . . 0.0 116.141 179.168 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -74.61 125.35 9.47 Favored 'Trans proline' 0 C--N 1.368 1.56 0 C-N-CA 122.435 2.09 . . . . 0.0 106.694 175.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 1.7 t -69.44 140.21 89.86 Favored Pre-proline 0 N--CA 1.45 -0.475 0 CA-C-N 111.348 -2.66 . . . . 0.0 111.98 -176.501 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_exo -61.92 161.43 25.73 Favored 'Trans proline' 0 C--N 1.364 1.36 0 O-C-N 123.326 1.172 . . . . 0.0 113.942 179.497 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -88.91 109.93 0.51 Allowed 'Trans proline' 0 CA--C 1.548 1.176 0 C-N-CA 120.897 1.065 . . . . 0.0 109.819 176.17 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 3.7 ptm85 . . . . . 0 C--N 1.353 0.75 0 N-CA-C 106.769 -1.567 . . . . 0.0 106.769 178.298 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.9 ttm . . . . . 0 CA--C 1.539 0.522 0 N-CA-C 108.082 -1.081 . . . . 0.0 108.082 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -88.05 121.6 30.65 Favored 'General case' 0 C--N 1.353 0.724 0 CA-C-N 112.426 -2.17 . . . . 0.0 108.451 179.061 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -111.62 147.83 34.63 Favored 'General case' 0 C--N 1.347 0.479 0 CA-C-N 112.543 -2.117 . . . . 0.0 109.347 179.282 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 61.4 mt -145.73 109.47 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.351 0.658 0 CA-C-N 113.11 -1.859 . . . . 0.0 109.579 -177.578 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -67.3 120.06 13.19 Favored 'General case' 0 CA--C 1.544 0.723 0 CA-C-N 114.13 -1.395 . . . . 0.0 109.287 177.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 19.4 mtmt -89.36 -19.84 24.73 Favored 'General case' 0 C--N 1.344 0.356 0 CA-C-N 114.436 -1.256 . . . . 0.0 112.249 179.772 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 81.2 m-85 -140.36 167.77 21.37 Favored 'General case' 0 C--N 1.346 0.43 0 CA-C-N 113.253 -1.794 . . . . 0.0 110.223 -178.658 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 11.1 p-10 -86.06 127.01 34.59 Favored 'General case' 0 C--N 1.348 0.511 0 CA-C-N 110.866 -2.879 . . . . 0.0 107.162 179.274 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 34.4 t80 -139.65 152.76 47.02 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 112.187 -2.278 . . . . 0.0 111.698 -177.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 46.0 mttp -133.94 140.62 46.89 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-N 110.829 -2.896 . . . . 0.0 108.314 175.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -51.21 150.83 3.1 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 112.038 -2.346 . . . . 0.0 112.724 179.638 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.446 ' HG1' ' CD ' ' A' ' 16' ' ' GLU . 5.4 p -115.55 -6.17 12.22 Favored 'General case' 0 C--N 1.349 0.561 0 CA-C-N 111.844 -2.435 . . . . 0.0 111.118 179.189 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -151.55 173.28 14.8 Favored 'General case' 0 C--N 1.349 0.579 0 CA-C-N 113.106 -1.861 . . . . 0.0 110.003 -178.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -73.91 -24.84 59.75 Favored 'General case' 0 CA--C 1.551 1.016 0 CA-C-N 111.468 -2.605 . . . . 0.0 111.712 -179.464 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -86.86 -17.11 34.13 Favored 'General case' 0 C--N 1.353 0.733 0 CA-C-N 113.501 -1.682 . . . . 0.0 111.899 179.328 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.446 ' CD ' ' HG1' ' A' ' 12' ' ' THR . 35.3 mt-10 -99.12 155.22 17.57 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 113.675 -1.602 . . . . 0.0 108.917 179.753 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.5 pp -132.98 159.22 40.64 Favored 'General case' 0 N--CA 1.474 0.768 0 CA-C-N 112.886 -1.961 . . . . 0.0 111.356 178.194 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 45.7 m -86.97 156.68 19.69 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 109.809 -3.359 . . . . 0.0 111.802 -177.527 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 36.3 p90 -159.5 147.57 17.43 Favored 'General case' 0 C--O 1.219 -0.533 0 CA-C-N 111.069 -2.787 . . . . 0.0 107.699 177.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 37.2 mtmt -103.81 145.17 30.49 Favored 'General case' 0 N--CA 1.446 -0.635 0 CA-C-N 112.835 -1.984 . . . . 0.0 106.854 -179.162 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 4.5 tmt_? -46.13 100.75 0.02 OUTLIER 'General case' 0 CA--C 1.55 0.949 0 O-C-N 125.518 1.761 . . . . 0.0 111.788 178.363 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 123.96 0.75 8.97 Favored Glycine 0 C--N 1.353 1.474 0 CA-C-N 113.559 -1.655 . . . . 0.0 114.697 179.661 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 51.7 m-20 -74.58 142.31 44.67 Favored 'General case' 0 C--N 1.364 1.204 0 C-N-CA 117.647 -1.621 . . . . 0.0 109.209 179.525 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 52.1 mm -101.49 120.15 50.69 Favored 'Isoleucine or valine' 0 C--N 1.343 0.316 0 N-CA-C 104.178 -2.527 . . . . 0.0 104.178 178.291 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.9 mp -105.46 162.27 13.61 Favored 'General case' 0 C--N 1.349 0.571 0 CA-C-N 112.904 -1.953 . . . . 0.0 111.502 -176.553 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 12.0 tmtt? -105.28 100.01 9.6 Favored 'General case' 0 C--O 1.218 -0.594 0 CA-C-N 108.721 -3.854 . . . . 0.0 108.072 178.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 5.4 t -87.93 113.11 24.55 Favored 'Isoleucine or valine' 0 C--N 1.344 0.364 0 N-CA-C 105.723 -1.954 . . . . 0.0 105.723 -177.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 50.3 tp -89.29 -50.25 6.24 Favored 'General case' 0 N--CA 1.443 -0.797 0 CA-C-N 108.701 -3.863 . . . . 0.0 108.787 -177.018 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 16.7 p-10 . . . . . 0 CA--C 1.542 0.667 0 O-C-N 125.295 1.622 . . . . 0.0 109.385 178.961 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.425 ' O ' ' HA ' ' A' ' 49' ' ' PRO . 95.5 m-20 . . . . . 0 N--CA 1.441 -0.901 0 N-CA-C 114.587 1.328 . . . . 0.0 114.587 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 80.7 m95 -138.64 118.32 13.1 Favored 'General case' 0 C--N 1.343 0.286 0 CA-C-O 123.08 1.419 . . . . 0.0 109.878 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.41 ' O ' ' HA ' ' A' ' 47' ' ' PHE . 13.0 m-85 -101.16 170.84 7.99 Favored 'General case' 0 C--O 1.217 -0.616 0 CA-C-N 110.782 -2.917 . . . . 0.0 106.65 178.706 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 11.7 ttmm -123.78 110.06 14.44 Favored 'General case' 0 N--CA 1.446 -0.628 0 N-CA-C 104.286 -2.487 . . . . 0.0 104.286 177.503 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -134.65 174.79 10.17 Favored 'General case' 0 C--N 1.351 0.631 0 CA-C-N 114.177 -1.374 . . . . 0.0 111.056 -178.381 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 9.9 tm-20 -124.54 140.87 52.54 Favored 'General case' 0 C--N 1.355 0.816 0 CA-C-N 113.592 -1.64 . . . . 0.0 108.392 -178.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . 0.37 12.4 mt -159.52 145.1 15.85 Favored 'General case' 0 CA--C 1.493 -1.232 0 CA-C-N 110.967 -2.833 . . . . 0.0 112.271 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . 0.311 1.0 OUTLIER 64.96 -73.82 0.06 Allowed 'General case' 0 N--CA 1.434 -1.258 1 CA-C-N 108.324 -4.034 . . . . 0.0 115.493 172.843 . . . . . . . . 4 3 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -164.55 20.1 0.13 Allowed Glycine 0 CA--C 1.529 0.961 0 CA-C-N 110.931 -2.85 . . . . 0.0 111.485 179.351 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -137.59 167.59 21.36 Favored 'General case' 0 C--N 1.349 0.552 0 CA-C-N 112.258 -1.971 . . . . 0.0 109.989 -179.464 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 11.9 p-10 -141.97 131.68 24.15 Favored 'General case' 0 CA--C 1.551 1.002 0 CA-C-N 111.973 -2.376 . . . . 0.0 106.063 178.053 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -176.95 -178.77 46.95 Favored Glycine 0 C--N 1.355 1.634 0 C-N-CA 117.859 -2.115 . . . . 0.0 112.783 -176.483 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.41 ' HA ' ' O ' ' A' ' 37' ' ' TYR . 96.4 m-85 -80.16 143.5 33.81 Favored 'General case' 0 C--N 1.354 0.792 0 CA-C-N 112.678 -1.761 . . . . 0.0 111.703 -179.79 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -140.58 141.66 26.1 Favored Pre-proline 0 CA--C 1.555 1.161 0 CA-C-N 112.036 -2.347 . . . . 0.0 108.693 -179.768 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.425 ' HA ' ' O ' ' A' ' 35' ' ' ASN . 6.9 Cg_endo -71.97 144.2 42.38 Favored 'Trans proline' 0 C--N 1.371 1.732 0 C-N-CA 122.078 1.852 . . . . 0.0 115.404 -178.817 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 6.0 mtpm? -70.46 -35.58 73.39 Favored 'General case' 0 C--N 1.378 1.838 0 C-N-CA 114.596 -2.842 . . . . 0.0 113.388 179.563 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . 0.354 0.7 OUTLIER -67.95 -12.2 60.27 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 117.788 -1.565 . . . . 0.0 115.081 -178.947 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -92.89 -3.63 54.26 Favored 'General case' 0 C--N 1.356 0.89 0 C-N-CA 118.531 -1.267 . . . . 0.0 112.189 177.53 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.465 ' CG1' ' N ' ' A' ' 54' ' ' GLU . 0.1 OUTLIER -130.75 174.25 13.25 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.86 0 CA-C-O 122.831 1.301 . . . . 0.0 108.751 178.555 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.465 ' N ' ' CG1' ' A' ' 53' ' ' ILE . 30.0 tt0 . . . . . 0 N--CA 1.447 -0.609 0 CA-C-N 111.333 -2.667 . . . . 0.0 105.194 176.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 71.4 t . . . . . 0 CA--C 1.545 0.787 0 N-CA-C 107.61 -1.255 . . . . 0.0 107.61 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -52.21 148.49 24.7 Favored 'Trans proline' 0 CA--C 1.563 1.974 0 C-N-CA 121.613 1.542 . . . . 0.0 115.901 -179.69 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_exo -52.39 160.57 3.4 Favored 'Trans proline' 0 C--N 1.368 1.555 0 C-N-CA 125.07 3.847 . . . . 0.0 118.466 -179.688 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -81.37 118.73 3.29 Favored 'Trans proline' 0 C--N 1.362 1.251 0 N-CA-C 105.32 -2.608 . . . . 0.0 105.32 173.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 2.3 t -58.97 139.89 87.04 Favored Pre-proline 0 CA--C 1.548 0.885 0 CA-C-N 112.033 -2.349 . . . . 0.0 110.794 -177.599 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -57.51 149.09 68.79 Favored 'Trans proline' 0 C--N 1.363 1.314 0 C-N-CA 120.938 1.092 . . . . 0.0 114.187 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -79.14 105.44 1.92 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 N-CA-C 107.776 -1.663 . . . . 0.0 107.776 177.302 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.538 0.485 0 CA-C-N 113.053 -1.885 . . . . 0.0 108.077 -179.208 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.1 ttm . . . . . 0 CA--C 1.543 0.708 0 N-CA-C 104.758 -2.312 . . . . 0.0 104.758 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -76.75 95.96 4.14 Favored 'General case' 0 C--N 1.365 1.281 0 CA-C-O 123.1 1.429 . . . . 0.0 108.063 -179.424 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -94.49 139.83 30.64 Favored 'General case' 0 N--CA 1.444 -0.726 0 CA-C-N 110.283 -3.144 . . . . 0.0 107.968 -174.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 84.5 mt -142.5 115.9 3.99 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.648 0 CA-C-N 111.355 -2.657 . . . . 0.0 109.481 -174.539 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -66.86 120.54 13.74 Favored 'General case' 0 CA--C 1.546 0.823 0 CA-C-N 113.329 -1.76 . . . . 0.0 108.091 177.499 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 36.4 mtmt -88.44 -18.74 27.66 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 114.74 -1.118 . . . . 0.0 112.563 -179.584 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 37.3 m-85 -139.69 168.65 19.34 Favored 'General case' 0 C--N 1.348 0.525 0 CA-C-N 113.496 -1.684 . . . . 0.0 109.754 -179.526 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -85.64 129.5 34.81 Favored 'General case' 0 C--N 1.352 0.708 0 CA-C-N 112.132 -2.304 . . . . 0.0 106.514 178.197 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 23.5 t80 -139.86 149.14 43.06 Favored 'General case' 0 C--N 1.345 0.394 0 CA-C-N 113.036 -1.893 . . . . 0.0 111.491 -179.387 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 55.3 mmtt -129.51 113.23 14.61 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 110.245 -3.161 . . . . 0.0 106.865 177.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -52.44 155.09 2.23 Favored 'General case' 0 C--N 1.348 0.508 0 CA-C-N 113.507 -1.679 . . . . 0.0 112.894 179.465 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 44.2 p -81.52 -25.51 35.89 Favored 'General case' 0 CA--C 1.549 0.926 0 CA-C-N 110.758 -2.928 . . . . 0.0 106.686 175.41 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 62.13 84.79 0.13 Allowed 'General case' 0 C--N 1.352 0.699 0 CA-C-N 110.445 -3.071 . . . . 0.0 112.128 179.27 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -133.41 17.24 4.02 Favored 'General case' 0 N--CA 1.44 -0.966 1 CA-C-N 106.67 -4.786 . . . . 0.0 107.702 178.77 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 16.8 p-10 118.56 15.45 0.0 OUTLIER 'General case' 0 C--N 1.367 1.339 0 C-N-CA 131.325 3.85 . . . . 0.0 111.238 -176.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 58.1 mt-10 -100.08 159.56 15.0 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 111.755 -2.475 . . . . 0.0 110.338 179.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . 0.397 0.0 OUTLIER -135.15 158.94 43.08 Favored 'General case' 0 N--CA 1.479 0.993 0 CA-C-N 112.171 -2.286 . . . . 0.0 111.518 176.394 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 37.8 m -86.17 161.29 18.92 Favored 'General case' 0 N--CA 1.445 -0.719 0 CA-C-N 109.563 -3.472 . . . . 0.0 111.798 -176.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 22.2 p90 -160.53 155.67 24.61 Favored 'General case' 0 C--N 1.345 0.41 0 CA-C-N 110.692 -2.958 . . . . 0.0 107.35 178.37 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 47.4 pttt -110.34 139.17 45.8 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 111.626 -2.534 . . . . 0.0 106.088 178.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 4.6 tmt_? -44.99 102.36 0.03 OUTLIER 'General case' 0 CA--C 1.551 0.981 0 O-C-N 125.408 1.693 . . . . 0.0 111.602 178.325 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 126.4 -1.84 7.63 Favored Glycine 0 C--N 1.35 1.361 0 CA-C-N 113.133 -1.849 . . . . 0.0 114.618 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -73.06 150.27 42.47 Favored 'General case' 0 C--N 1.364 1.202 0 C-N-CA 116.816 -1.954 . . . . 0.0 110.289 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 85.9 mt -103.43 118.57 50.67 Favored 'Isoleucine or valine' 0 C--N 1.347 0.466 0 N-CA-C 103.889 -2.634 . . . . 0.0 103.889 177.711 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.9 mp -112.08 174.64 5.78 Favored 'General case' 0 C--N 1.348 0.513 0 CA-C-N 113.448 -1.705 . . . . 0.0 109.233 -177.512 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 20.5 ttmt -129.95 99.59 5.15 Favored 'General case' 0 C--O 1.217 -0.651 0 CA-C-N 109.652 -3.431 . . . . 0.0 108.864 179.163 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 33.7 t -87.97 104.83 14.87 Favored 'Isoleucine or valine' 0 C--N 1.351 0.671 0 N-CA-C 102.693 -3.077 . . . . 0.0 102.693 -178.655 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.5 tt -90.43 -33.72 15.9 Favored 'General case' 0 N--CA 1.444 -0.726 1 CA-C-N 107.784 -4.28 . . . . 0.0 110.595 -175.862 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 59.6 m-20 . . . . . 0 C--N 1.351 0.673 0 CA-C-O 122.896 1.331 . . . . 0.0 109.152 178.686 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 31.4 m-20 . . . . . 0 N--CA 1.442 -0.861 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 62.7 m95 -139.74 130.03 25.33 Favored 'General case' 0 C--N 1.363 1.175 0 CA-C-O 122.877 1.323 . . . . 0.0 111.943 -179.033 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -104.9 177.97 4.69 Favored 'General case' 0 C--O 1.219 -0.518 0 CA-C-N 111.769 -2.469 . . . . 0.0 105.805 176.336 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -134.98 117.92 16.3 Favored 'General case' 0 CA--C 1.537 0.448 0 N-CA-C 105.697 -1.964 . . . . 0.0 105.697 178.323 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -136.05 173.83 11.28 Favored 'General case' 0 C--N 1.359 0.981 0 C-N-CA 118.109 -1.436 . . . . 0.0 111.198 -178.498 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -107.57 133.2 52.37 Favored 'General case' 0 C--N 1.355 0.831 0 O-C-N 125.676 1.86 . . . . 0.0 110.919 -178.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . 0.321 12.5 mt -161.01 133.41 6.04 Favored 'General case' 0 C--N 1.352 0.713 0 CA-C-N 112.503 -2.135 . . . . 0.0 113.494 178.008 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 55.46 33.33 20.74 Favored 'General case' 0 CA--C 1.547 0.835 0 CA-C-N 112.024 -2.353 . . . . 0.0 114.44 170.624 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 72.31 20.22 79.14 Favored Glycine 0 CA--C 1.537 1.419 0 CA-C-N 113.535 -1.666 . . . . 0.0 113.749 -179.568 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 41.9 mmtm -137.3 116.54 12.62 Favored 'General case' 0 C--N 1.356 0.86 0 N-CA-C 108.383 -0.969 . . . . 0.0 108.383 179.638 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -97.32 131.13 44.31 Favored 'General case' 0 CA--C 1.546 0.812 0 N-CA-C 104.577 -2.379 . . . . 0.0 104.577 177.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -174.34 177.79 46.4 Favored Glycine 0 C--N 1.343 0.926 0 CA-C-N 114.186 -1.37 . . . . 0.0 111.618 -176.104 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 63.2 m-85 -80.34 149.67 30.19 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 113.214 -1.493 . . . . 0.0 113.269 -178.682 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 26.7 pt -140.81 144.75 36.92 Favored Pre-proline 0 CA--C 1.555 1.146 0 CA-C-N 110.945 -2.843 . . . . 0.0 107.773 179.63 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 4.7 Cg_endo -75.55 155.94 40.49 Favored 'Trans proline' 0 C--N 1.366 1.449 0 C-N-CA 121.807 1.671 . . . . 0.0 114.475 179.259 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . 0.263 8.4 mmtt -68.73 -52.88 25.94 Favored 'General case' 0 C--N 1.353 0.731 0 CA-C-N 113.086 -1.87 . . . . 0.0 111.355 -179.105 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . 0.269 0.8 OUTLIER -67.23 -5.4 13.74 Favored 'General case' 0 CA--C 1.546 0.804 0 N-CA-C 115.239 1.57 . . . . 0.0 115.239 -179.078 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 13.5 m-85 -95.75 -12.53 25.25 Favored 'General case' 0 C--N 1.356 0.855 0 C-N-CA 117.665 -1.614 . . . . 0.0 113.76 178.415 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.522 ' CG1' ' N ' ' A' ' 54' ' ' GLU . 0.1 OUTLIER -131.43 172.6 16.01 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.429 0 CA-C-O 122.582 1.182 . . . . 0.0 112.325 -178.533 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.522 ' N ' ' CG1' ' A' ' 53' ' ' ILE . 19.3 tp10 . . . . . 0 CA--C 1.559 1.326 0 CA-C-N 111.675 -2.511 . . . . 0.0 105.054 173.543 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 66.9 t . . . . . 0 CA--C 1.542 0.671 0 N-CA-C 107.155 -1.424 . . . . 0.0 107.155 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_exo -45.09 134.4 11.18 Favored 'Trans proline' 0 CA--C 1.571 2.365 0 C-N-CA 121.967 1.778 . . . . 0.0 115.421 -179.474 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 41.1 Cg_exo -39.34 161.37 0.02 OUTLIER 'Trans proline' 0 C--N 1.376 2.02 1 C-N-CA 125.858 4.372 . . . . 0.0 120.925 -177.546 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -75.22 113.57 3.81 Favored 'Trans proline' 0 C--N 1.358 1.07 0 N-CA-C 106.535 -2.141 . . . . 0.0 106.535 175.216 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 2.3 t -63.31 137.13 96.99 Favored Pre-proline 0 CA--C 1.555 1.148 0 CA-C-N 111.481 -2.6 . . . . 0.0 110.058 -178.274 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 28.4 Cg_exo -61.79 160.72 27.82 Favored 'Trans proline' 0 C--N 1.363 1.296 0 N-CA-C 115.369 1.257 . . . . 0.0 115.369 -179.598 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -84.91 112.4 1.48 Allowed 'Trans proline' 0 CA--C 1.548 1.217 0 N-CA-C 108.783 -1.276 . . . . 0.0 108.783 175.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 6.7 ppt_? . . . . . 0 C--N 1.356 0.881 0 CA-C-N 114.758 -1.11 . . . . 0.0 109.964 179.66 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.436 ' SD ' ' CG2' ' A' ' 27' ' ' VAL . 0.0 OUTLIER . . . . . 0 CA--C 1.539 0.541 0 CA-C-O 123.092 1.425 . . . . 0.0 110.57 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 56.3 mt-10 -76.89 115.09 16.37 Favored 'General case' 0 C--N 1.355 0.826 0 CA-C-N 110.166 -3.197 . . . . 0.0 107.579 179.012 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -101.72 143.2 31.95 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 111.85 -2.432 . . . . 0.0 107.822 -179.417 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 38.9 mm -136.43 112.2 11.92 Favored 'Isoleucine or valine' 0 C--N 1.352 0.681 0 CA-C-N 113.581 -1.645 . . . . 0.0 110.511 -176.045 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -67.82 122.23 17.69 Favored 'General case' 0 CA--C 1.551 0.989 0 CA-C-N 114.41 -1.268 . . . . 0.0 109.677 177.596 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 30.4 mtmt -88.59 -25.88 22.23 Favored 'General case' 0 C--N 1.344 0.348 0 CA-C-N 114.193 -1.367 . . . . 0.0 112.353 179.729 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -137.5 173.32 11.79 Favored 'General case' 0 C--N 1.345 0.384 0 CA-C-N 113.675 -1.602 . . . . 0.0 109.767 -178.659 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -92.06 137.27 32.5 Favored 'General case' 0 C--N 1.351 0.65 0 CA-C-N 111.833 -2.44 . . . . 0.0 107.999 -179.665 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -138.4 141.66 39.59 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 111.533 -2.576 . . . . 0.0 110.296 -179.44 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.6 54.72 1.93 Allowed 'General case' 0 CA--C 1.547 0.845 0 CA-C-N 110.599 -3.001 . . . . 0.0 113.001 -177.486 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 9.06 141.09 0.0 OUTLIER 'General case' 0 N--CA 1.498 1.926 0 C-N-CA 129.473 3.109 . . . . 0.0 117.939 -177.647 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -94.89 -10.06 32.37 Favored 'General case' 0 C--N 1.355 0.818 0 CA-C-N 112.377 -2.192 . . . . 0.0 112.33 179.721 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -153.24 173.08 16.02 Favored 'General case' 0 C--N 1.353 0.754 0 CA-C-O 123.041 1.4 . . . . 0.0 111.114 -179.273 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -63.11 -30.09 71.32 Favored 'General case' 0 CA--C 1.548 0.899 0 CA-C-N 110.369 -3.105 . . . . 0.0 113.305 -178.697 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 13.1 p-10 -75.16 -26.41 59.09 Favored 'General case' 0 CA--C 1.545 0.767 0 CA-C-N 114.19 -1.368 . . . . 0.0 111.59 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -99.95 157.22 16.69 Favored 'General case' 0 C--N 1.349 0.567 0 CA-C-N 113.279 -1.782 . . . . 0.0 110.453 -178.62 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . 0.282 3.4 pp -136.41 160.41 38.83 Favored 'General case' 0 C--N 1.344 0.332 0 CA-C-N 111.439 -2.618 . . . . 0.0 110.251 176.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 13.4 m -86.0 158.56 19.83 Favored 'General case' 0 N--CA 1.437 -1.113 0 CA-C-N 108.585 -3.916 . . . . 0.0 111.506 -176.389 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 23.2 p90 -159.47 144.36 15.45 Favored 'General case' 0 C--O 1.222 -0.378 0 CA-C-N 109.388 -3.551 . . . . 0.0 103.799 178.64 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 40.0 mtmt -105.06 145.41 30.52 Favored 'General case' 0 N--CA 1.444 -0.727 0 N-CA-C 105.149 -2.167 . . . . 0.0 105.149 179.687 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 60.7 ttt180 -46.05 115.51 1.01 Allowed 'General case' 0 CA--C 1.551 0.991 0 O-C-N 125.134 1.521 . . . . 0.0 112.266 178.328 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 109.58 0.58 30.81 Favored Glycine 0 CA--C 1.532 1.103 0 CA-C-N 111.151 -2.75 . . . . 0.0 113.863 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 55.0 m-20 -78.7 145.8 34.32 Favored 'General case' 0 C--N 1.368 1.375 0 C-N-CA 116.476 -2.09 . . . . 0.0 108.865 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 71.0 mt -101.35 127.69 54.41 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.467 0 CA-C-N 113.15 -1.841 . . . . 0.0 106.929 -179.755 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -104.98 179.79 4.17 Favored 'General case' 0 C--N 1.353 0.741 0 CA-C-N 113.627 -1.624 . . . . 0.0 110.468 -178.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.2 tmmm? -134.12 110.56 9.68 Favored 'General case' 0 C--O 1.215 -0.74 0 CA-C-N 109.761 -3.381 . . . . 0.0 108.808 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.436 ' CG2' ' SD ' ' A' ' 1' ' ' MET . 20.2 m -87.42 117.85 32.21 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.07 0 C-N-CA 115.772 -2.371 . . . . 0.0 110.911 -176.565 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 45.2 tp -90.91 -56.74 3.06 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 110.483 -3.053 . . . . 0.0 110.515 -177.393 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 77.1 m-20 . . . . . 0 C--N 1.351 0.649 0 O-C-N 125.435 1.709 . . . . 0.0 109.783 -179.655 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 29.5 m-20 . . . . . 0 CA--C 1.545 0.756 0 CA-C-O 118.797 -0.621 . . . . 0.0 109.494 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 75.5 m95 -137.01 126.55 25.17 Favored 'General case' 0 C--N 1.362 1.116 0 CA-C-O 122.958 1.361 . . . . 0.0 110.968 -178.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 15.5 m-85 -105.3 144.3 32.27 Favored 'General case' 0 C--O 1.219 -0.531 0 CA-C-N 111.077 -2.783 . . . . 0.0 108.957 179.234 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 81.8 tttt -103.86 109.71 21.55 Favored 'General case' 0 CA--C 1.538 0.491 0 N-CA-C 105.057 -2.201 . . . . 0.0 105.057 177.47 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -133.31 169.08 17.43 Favored 'General case' 0 C--N 1.357 0.895 0 O-C-N 124.529 1.143 . . . . 0.0 111.601 -176.444 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -105.13 147.55 27.82 Favored 'General case' 0 C--N 1.363 1.194 0 O-C-N 124.928 1.393 . . . . 0.0 111.675 -177.077 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 5.7 mt -161.22 119.0 2.34 Favored 'General case' 0 C--N 1.349 0.578 0 CA-C-N 109.709 -3.405 . . . . 0.0 113.344 178.108 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . 0.325 0.0 OUTLIER 60.07 31.24 20.52 Favored 'General case' 0 C--N 1.359 1.017 0 C-N-CA 114.109 -3.036 . . . . 0.0 117.631 172.572 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 62.75 23.38 65.29 Favored Glycine 0 CA--C 1.537 1.444 0 CA-C-N 114.197 -1.365 . . . . 0.0 112.215 -179.218 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -133.26 107.85 8.39 Favored 'General case' 0 N--CA 1.438 -1.055 0 N-CA-C 105.413 -2.069 . . . . 0.0 105.413 -179.631 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -99.52 136.09 39.96 Favored 'General case' 0 CA--C 1.558 1.26 0 CA-C-N 112.591 -2.095 . . . . 0.0 107.75 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -169.18 175.97 43.38 Favored Glycine 0 C--N 1.348 1.212 0 C-N-CA 120.125 -1.036 . . . . 0.0 112.698 -177.431 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -80.13 140.21 36.49 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 112.402 -1.899 . . . . 0.0 111.417 -179.639 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 35.3 pt -139.53 140.97 26.9 Favored Pre-proline 0 CA--C 1.544 0.737 0 CA-C-N 111.9 -2.409 . . . . 0.0 106.597 179.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 6.9 Cg_endo -72.28 146.61 45.9 Favored 'Trans proline' 0 C--N 1.361 1.212 0 C-N-CA 121.54 1.493 . . . . 0.0 113.263 -179.725 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 46.1 mtmt -71.36 -33.0 69.17 Favored 'General case' 0 C--N 1.361 1.105 0 C-N-CA 116.213 -2.195 . . . . 0.0 111.717 179.519 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . 0.309 1.6 p-10 -70.78 -10.36 59.35 Favored 'General case' 0 C--N 1.355 0.841 0 C-N-CA 118.298 -1.361 . . . . 0.0 114.12 -179.707 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -93.36 -4.55 51.32 Favored 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 118.469 -1.293 . . . . 0.0 111.505 177.112 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.455 ' CG1' ' N ' ' A' ' 54' ' ' GLU . 0.1 OUTLIER -130.17 172.52 15.74 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.178 0 CA-C-O 122.45 1.119 . . . . 0.0 110.701 179.07 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.455 ' N ' ' CG1' ' A' ' 53' ' ' ILE . 37.8 tt0 . . . . . 0 CA--C 1.549 0.921 0 C-N-CA 128.589 2.755 . . . . 0.0 106.344 176.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 8.1 p . . . . . 0 CA--C 1.552 1.03 0 N-CA-C 114.368 1.247 . . . . 0.0 114.368 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -49.75 149.18 11.04 Favored 'Trans proline' 0 CA--C 1.56 1.805 0 C-N-CA 121.871 1.714 . . . . 0.0 115.811 -179.19 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_exo -52.6 159.67 4.51 Favored 'Trans proline' 0 C--N 1.367 1.526 0 C-N-CA 124.168 3.245 . . . . 0.0 116.502 179.471 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -75.25 123.24 7.6 Favored 'Trans proline' 0 C--N 1.365 1.423 0 N-CA-C 106.687 -2.082 . . . . 0.0 106.687 175.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 1.7 t -68.01 137.84 92.29 Favored Pre-proline 0 CA--C 1.543 0.68 0 CA-C-N 111.491 -2.595 . . . . 0.0 112.15 -176.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 21.7 Cg_exo -59.29 161.69 16.13 Favored 'Trans proline' 0 C--N 1.363 1.301 0 C-N-CA 121.462 1.441 . . . . 0.0 114.345 179.139 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -82.36 113.28 2.32 Favored 'Trans proline' 0 CA--C 1.547 1.132 0 C-N-CA 121.005 1.137 . . . . 0.0 109.887 176.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 1.6 ppt_? . . . . . 0 C--N 1.351 0.668 0 CA-C-O 123.989 1.852 . . . . 0.0 108.791 178.233 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.7 ttm . . . . . 0 N--CA 1.436 -1.173 0 N-CA-C 106.269 -1.752 . . . . 0.0 106.269 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 56.9 mt-10 -98.87 97.14 8.37 Favored 'General case' 0 C--O 1.215 -0.74 0 N-CA-C 103.49 -2.782 . . . . 0.0 103.49 178.637 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . 0.288 . . -91.85 154.69 18.72 Favored 'General case' 0 C--N 1.354 0.78 0 C-N-CA 128.624 2.769 . . . . 0.0 115.219 -172.021 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 29.8 mm -136.51 118.03 19.23 Favored 'Isoleucine or valine' 0 C--N 1.359 1.019 0 CA-C-N 110.195 -3.184 . . . . 0.0 108.338 -177.544 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -66.58 131.48 46.09 Favored 'General case' 0 CA--C 1.539 0.554 0 N-CA-C 106.114 -1.81 . . . . 0.0 106.114 177.075 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 18.1 tttt -86.4 -37.22 18.6 Favored 'General case' 0 CA--C 1.512 -0.484 0 CA-C-N 111.652 -2.522 . . . . 0.0 112.465 -176.411 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 78.9 m-85 -138.61 172.35 13.01 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-N 110.809 -2.905 . . . . 0.0 108.382 -179.459 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -83.27 130.41 35.07 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 110.139 -3.209 . . . . 0.0 107.152 179.117 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 19.2 t80 -137.27 146.86 45.22 Favored 'General case' 0 C--N 1.349 0.567 0 CA-C-O 124.551 2.119 . . . . 0.0 111.959 -178.178 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 33.7 tptt -128.27 117.04 20.78 Favored 'General case' 0 N--CA 1.441 -0.925 0 CA-C-N 109.467 -3.515 . . . . 0.0 106.137 178.615 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -52.46 154.79 2.37 Favored 'General case' 0 C--N 1.359 1.01 0 CA-C-O 123.398 1.57 . . . . 0.0 112.947 179.247 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 40.2 p -104.04 -16.07 15.4 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-N 110.246 -3.161 . . . . 0.0 111.863 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -151.48 173.88 14.05 Favored 'General case' 0 C--N 1.351 0.658 0 CA-C-N 113.413 -1.721 . . . . 0.0 110.946 -178.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -69.39 -26.88 64.86 Favored 'General case' 0 CA--C 1.546 0.827 0 CA-C-N 111.39 -2.641 . . . . 0.0 113.712 -177.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 10.1 p-10 -77.77 -21.89 51.04 Favored 'General case' 0 CA--C 1.547 0.857 0 CA-C-N 114.59 -1.186 . . . . 0.0 111.454 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -99.75 158.71 15.59 Favored 'General case' 0 C--N 1.351 0.635 0 CA-C-N 113.324 -1.762 . . . . 0.0 109.748 -179.608 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . 0.263 4.2 pp -135.81 159.2 42.38 Favored 'General case' 0 C--N 1.348 0.527 0 CA-C-N 111.935 -2.393 . . . . 0.0 110.64 176.882 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 32.0 m -86.91 159.71 18.95 Favored 'General case' 0 N--CA 1.442 -0.865 0 CA-C-N 109.27 -3.604 . . . . 0.0 112.092 -177.465 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.472 ' HB3' ' CD1' ' A' ' 41' ' ' LEU . 27.0 p90 -160.32 161.18 33.2 Favored 'General case' 0 C--O 1.219 -0.518 0 CA-C-N 109.284 -3.598 . . . . 0.0 107.497 177.566 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.84 143.15 48.05 Favored 'General case' 0 N--CA 1.447 -0.618 0 CA-C-N 112.422 -2.172 . . . . 0.0 105.728 179.478 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 30.5 ttt180 -44.69 109.75 0.18 Allowed 'General case' 0 CA--C 1.551 0.986 0 O-C-N 124.694 1.247 . . . . 0.0 112.397 178.161 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 113.4 5.73 22.54 Favored Glycine 0 CA--C 1.537 1.45 0 CA-C-N 111.063 -2.79 . . . . 0.0 114.372 179.717 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 32.1 m-20 -70.47 153.82 42.54 Favored 'General case' 0 C--N 1.367 1.331 0 C-N-CA 116.964 -1.895 . . . . 0.0 110.09 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 25.3 mm -102.44 111.96 34.05 Favored 'Isoleucine or valine' 0 C--N 1.348 0.513 0 CA-C-N 112.835 -1.984 . . . . 0.0 106.355 179.715 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.8 mp -104.54 168.39 9.11 Favored 'General case' 0 C--N 1.355 0.847 0 CA-C-O 123.361 1.553 . . . . 0.0 111.919 -178.018 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 30.2 tttt -134.63 105.02 6.3 Favored 'General case' 0 C--O 1.217 -0.655 0 CA-C-N 110.012 -3.267 . . . . 0.0 110.076 179.343 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 15.3 t -88.07 111.97 23.0 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.526 0 CA-C-N 113.77 -1.559 . . . . 0.0 107.058 -175.591 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.4 tt -90.88 -40.23 11.86 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-N 111.098 -2.774 . . . . 0.0 111.281 -176.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 . . . . . 0 C--N 1.352 0.706 0 CA-C-N 114.725 -1.125 . . . . 0.0 109.558 179.604 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 29.6 m-20 . . . . . 0 CA--C 1.537 0.453 0 CA-C-O 119.053 -0.499 . . . . 0.0 110.494 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 80.3 m95 -137.77 128.17 26.38 Favored 'General case' 0 C--N 1.358 0.947 0 CA-C-O 122.237 1.018 . . . . 0.0 111.317 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 10.5 m-85 -109.57 149.53 29.52 Favored 'General case' 0 C--O 1.222 -0.359 0 CA-C-N 112.142 -2.299 . . . . 0.0 107.11 178.364 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 85.1 tttt -107.12 117.05 33.05 Favored 'General case' 0 C--N 1.349 0.576 0 N-CA-C 105.728 -1.953 . . . . 0.0 105.728 176.281 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -135.89 172.82 12.46 Favored 'General case' 0 C--N 1.356 0.851 0 O-C-N 124.32 1.013 . . . . 0.0 112.338 -178.267 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -109.57 130.4 55.51 Favored 'General case' 0 C--N 1.353 0.733 0 O-C-N 125.632 1.833 . . . . 0.0 110.312 -177.581 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.472 ' CD1' ' HB3' ' A' ' 19' ' ' PHE 0.305 10.9 mt -162.76 148.34 12.2 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-N 111.737 -2.483 . . . . 0.0 112.92 177.851 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 53.74 34.64 19.44 Favored 'General case' 0 CA--C 1.548 0.897 0 CA-C-N 109.753 -3.385 . . . . 0.0 115.534 170.489 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 79.4 8.68 87.6 Favored Glycine 0 CA--C 1.538 1.528 0 CA-C-N 114.41 -1.268 . . . . 0.0 114.703 179.58 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 68.9 mmtt -135.38 174.59 10.44 Favored 'General case' 0 C--N 1.351 0.666 0 N-CA-C 107.886 -1.153 . . . . 0.0 107.886 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -144.89 125.22 13.83 Favored 'General case' 0 CA--C 1.546 0.814 0 CA-C-N 113.1 -1.864 . . . . 0.0 107.135 176.881 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -159.11 -177.1 31.89 Favored Glycine 0 C--N 1.351 1.397 0 CA-C-N 114.601 -1.181 . . . . 0.0 111.989 -177.247 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -79.79 146.84 32.08 Favored 'General case' 0 C--N 1.346 0.431 0 CA-C-O 123.004 1.383 . . . . 0.0 110.936 -179.71 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 34.6 pt -140.36 143.4 33.08 Favored Pre-proline 0 CA--C 1.542 0.648 0 CA-C-N 111.039 -2.8 . . . . 0.0 106.686 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 2.3 Cg_endo -71.23 145.2 48.23 Favored 'Trans proline' 0 C--N 1.362 1.242 0 C-N-CA 121.084 1.189 . . . . 0.0 111.002 177.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 6.6 mtpm? -71.45 -33.39 69.31 Favored 'General case' 0 C--N 1.354 0.795 0 C-N-CA 119.201 -0.999 . . . . 0.0 109.849 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 10.1 p-10 -66.4 -20.13 65.98 Favored 'General case' 0 CA--C 1.55 0.962 0 CA-C-N 112.573 -2.103 . . . . 0.0 113.045 179.525 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 -94.03 4.81 53.37 Favored 'General case' 0 CA--C 1.557 1.216 0 CA-C-O 117.669 -1.158 . . . . 0.0 113.542 177.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.426 ' CG1' ' N ' ' A' ' 54' ' ' GLU . 0.1 OUTLIER -135.1 166.15 28.99 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.889 0 CA-C-O 122.968 1.366 . . . . 0.0 110.401 176.345 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.426 ' N ' ' CG1' ' A' ' 53' ' ' ILE . 2.4 tm-20 . . . . . 0 C--N 1.351 0.66 0 CA-C-N 110.624 -2.989 . . . . 0.0 106.734 177.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 7.6 p . . . . . 0 CA--C 1.547 0.845 0 N-CA-C 107.929 -1.137 . . . . 0.0 107.929 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 1.8 Cg_endo -69.33 161.96 43.76 Favored 'Trans proline' 0 C--N 1.365 1.439 0 N-CA-C 114.416 0.891 . . . . 0.0 114.416 -179.525 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_exo -50.93 162.09 1.2 Allowed 'Trans proline' 0 C--N 1.365 1.398 0 C-N-CA 124.819 3.68 . . . . 0.0 116.286 177.043 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -79.98 125.68 6.08 Favored 'Trans proline' 0 C--N 1.362 1.285 0 N-CA-C 105.321 -2.607 . . . . 0.0 105.321 175.008 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 1.8 t -69.92 134.36 87.83 Favored Pre-proline 0 N--CA 1.439 -1.0 0 CA-C-N 111.466 -2.606 . . . . 0.0 110.57 -177.328 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 16.8 Cg_exo -62.09 165.22 15.06 Favored 'Trans proline' 0 C--N 1.361 1.219 0 C-N-CA 121.917 1.745 . . . . 0.0 114.655 -179.565 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 70.2 Cg_endo -87.57 111.83 0.81 Allowed 'Trans proline' 0 CA--C 1.548 1.185 0 C-N-CA 121.178 1.252 . . . . 0.0 109.77 176.187 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 8' ' ' ARG . . . . . 0.407 ' HG2' HH11 ' B' ' 8' ' ' ARG . 0.1 OUTLIER . . . . . 0 C--N 1.353 0.751 0 N-CA-C 107.789 -1.189 . . . . 0.0 107.789 178.504 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 31.4 ttm . . . . . 0 CA--C 1.536 0.429 0 N-CA-C 106.028 -1.842 . . . . 0.0 106.028 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -92.85 125.73 37.59 Favored 'General case' 0 C--N 1.351 0.631 0 CA-C-N 114.094 -1.412 . . . . 0.0 107.659 178.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -104.03 140.26 38.0 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 111.136 -2.756 . . . . 0.0 107.304 -179.028 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 31.2 mm -137.58 116.68 14.79 Favored 'Isoleucine or valine' 0 C--N 1.348 0.525 0 CA-C-N 113.755 -1.566 . . . . 0.0 109.54 -177.153 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -66.58 119.72 12.2 Favored 'General case' 0 CA--C 1.545 0.776 0 CA-C-N 112.547 -2.115 . . . . 0.0 110.348 179.202 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.8 mtmp? -88.24 -14.46 38.41 Favored 'General case' 0 C--N 1.343 0.318 0 CA-C-N 113.712 -1.585 . . . . 0.0 111.901 179.278 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 70.9 m-85 -142.72 172.24 12.96 Favored 'General case' 0 CA--C 1.538 0.511 0 O-C-N 125.54 1.775 . . . . 0.0 110.258 179.341 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -91.87 128.09 37.58 Favored 'General case' 0 CA--C 1.544 0.737 0 CA-C-N 111.55 -2.568 . . . . 0.0 108.096 178.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 14.6 t80 -137.95 151.43 47.95 Favored 'General case' 0 C--N 1.351 0.668 0 CA-C-O 124.743 2.211 . . . . 0.0 113.542 -177.765 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.38 106.84 6.85 Favored 'General case' 0 CA--C 1.55 0.947 0 CA-C-N 108.825 -3.807 . . . . 0.0 107.405 178.431 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -50.95 158.03 0.75 Allowed 'General case' 0 N--CA 1.47 0.539 0 CA-C-O 123.888 1.804 . . . . 0.0 113.566 -179.749 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 48.6 p -87.42 -25.91 23.54 Favored 'General case' 0 CA--C 1.549 0.932 0 CA-C-N 109.369 -3.559 . . . . 0.0 106.472 175.665 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 59.98 77.39 0.32 Allowed 'General case' 0 C--N 1.356 0.865 0 C-N-CA 128.774 2.83 . . . . 0.0 112.674 178.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . 0.255 11.5 t70 -125.37 17.75 8.26 Favored 'General case' 0 N--CA 1.438 -1.064 1 CA-C-N 106.341 -4.936 . . . . 0.0 107.679 179.628 . . . . . . . . 3 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 45.4 p30 121.79 11.14 0.0 OUTLIER 'General case' 0 C--N 1.37 1.493 0 C-N-CA 130.743 3.617 . . . . 0.0 110.83 -176.513 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 76.7 mt-10 -98.21 165.5 11.85 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 112.261 -2.245 . . . . 0.0 112.817 -177.527 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.1 pp -139.05 159.63 41.69 Favored 'General case' 0 C--N 1.354 0.764 0 CA-C-N 110.546 -3.025 . . . . 0.0 111.28 177.533 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 40.7 m -87.15 157.79 19.29 Favored 'General case' 0 N--CA 1.445 -0.721 0 CA-C-N 109.345 -3.571 . . . . 0.0 111.613 -178.055 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.409 ' HB3' ' CD1' ' A' ' 41' ' ' LEU . 29.1 p90 -160.34 150.44 18.11 Favored 'General case' 0 C--O 1.219 -0.516 0 CA-C-N 110.785 -2.916 . . . . 0.0 106.13 178.296 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 21.0 pttp -109.05 151.0 26.97 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 112.985 -1.916 . . . . 0.0 106.844 178.798 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 45.1 tpt85 -45.34 109.36 0.17 Allowed 'General case' 0 CA--C 1.554 1.122 0 CA-C-N 113.032 -1.895 . . . . 0.0 111.817 177.487 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 104.26 15.65 20.86 Favored Glycine 0 C--N 1.347 1.183 0 CA-C-N 111.907 -2.406 . . . . 0.0 115.21 178.271 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 60.1 m-20 -71.31 158.37 36.47 Favored 'General case' 0 C--N 1.367 1.365 0 C-N-CA 116.054 -2.258 . . . . 0.0 111.28 179.63 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 74.3 mt -102.51 105.31 17.89 Favored 'Isoleucine or valine' 0 C--N 1.351 0.636 0 CA-C-N 110.878 -2.874 . . . . 0.0 105.016 178.636 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.421 HD13 ' CG ' ' A' ' 41' ' ' LEU 0.262 3.0 mp -107.06 161.36 14.81 Favored 'General case' 0 N--CA 1.444 -0.75 0 CA-C-N 112.076 -2.329 . . . . 0.0 108.816 -177.995 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 35.3 mtpt -133.73 108.21 8.38 Favored 'General case' 0 C--O 1.22 -0.485 0 CA-C-N 112.065 -2.334 . . . . 0.0 107.585 176.524 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -88.52 102.97 13.34 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.606 0 CA-C-O 124.668 2.175 . . . . 0.0 105.27 -177.507 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 28.7 tp -92.88 -48.72 6.4 Favored 'General case' 0 N--CA 1.443 -0.786 1 CA-C-N 107.41 -4.45 . . . . 0.0 112.759 -176.666 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 . . . . . 0 C--N 1.357 0.897 0 O-C-N 124.777 1.298 . . . . 0.0 112.278 -177.86 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 . . . . . 0 N--CA 1.44 -0.941 0 N-CA-C 114.425 1.269 . . . . 0.0 114.425 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 78.0 m95 -135.86 118.23 15.71 Favored 'General case' 0 C--N 1.346 0.421 0 CA-C-O 123.509 1.623 . . . . 0.0 109.859 -179.511 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.407 ' O ' ' HA ' ' A' ' 47' ' ' PHE 0.273 13.4 m-30 -104.7 140.09 38.56 Favored 'General case' 0 C--O 1.217 -0.644 0 CA-C-N 109.569 -3.469 . . . . 0.0 110.087 179.395 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 61.7 tttm -99.79 90.02 4.3 Favored 'General case' 0 CA--C 1.535 0.383 0 N-CA-C 104.811 -2.292 . . . . 0.0 104.811 177.723 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -102.19 -173.1 2.26 Favored 'General case' 0 C--N 1.352 0.683 0 CA-C-N 112.185 -2.28 . . . . 0.0 109.805 -177.801 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -129.87 131.83 46.22 Favored 'General case' 0 C--N 1.354 0.763 0 O-C-N 125.256 1.598 . . . . 0.0 111.191 -178.117 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.421 ' CG ' HD13 ' A' ' 25' ' ' LEU 0.25 8.3 mt -160.29 141.98 12.6 Favored 'General case' 0 CA--C 1.496 -1.122 0 CA-C-N 111.851 -2.431 . . . . 0.0 114.111 178.442 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 57.79 29.42 17.42 Favored 'General case' 0 CA--C 1.545 0.761 0 CA-C-N 109.035 -3.712 . . . . 0.0 112.88 173.389 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 72.58 17.92 78.24 Favored Glycine 0 CA--C 1.539 1.531 0 CA-C-N 112.93 -1.941 . . . . 0.0 113.569 -179.463 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -136.5 135.24 38.39 Favored 'General case' 0 C--N 1.353 0.719 0 N-CA-C 108.091 -1.078 . . . . 0.0 108.091 -179.484 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -98.93 148.42 23.98 Favored 'General case' 0 CA--C 1.544 0.719 0 N-CA-C 106.453 -1.684 . . . . 0.0 106.453 177.144 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -176.23 167.0 38.41 Favored Glycine 0 C--N 1.339 0.705 0 C-N-CA 119.137 -1.506 . . . . 0.0 111.119 -178.085 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.407 ' HA ' ' O ' ' A' ' 37' ' ' TYR . 75.4 m-85 -79.45 140.48 37.33 Favored 'General case' 0 CA--C 1.54 0.592 0 CA-C-N 112.789 -1.706 . . . . 0.0 110.417 -179.445 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 45.3 pt -139.36 144.63 40.85 Favored Pre-proline 0 CA--C 1.545 0.762 0 CA-C-N 112.847 -1.979 . . . . 0.0 108.347 -179.092 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo -66.72 140.57 56.6 Favored 'Trans proline' 0 C--N 1.364 1.357 0 C-N-CA 121.908 1.739 . . . . 0.0 114.811 -179.457 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 20.7 mtpt -70.65 -35.4 72.86 Favored 'General case' 0 C--N 1.376 1.751 0 C-N-CA 114.714 -2.794 . . . . 0.0 112.364 179.074 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 19.0 p-10 -59.1 -20.72 56.03 Favored 'General case' 0 CA--C 1.554 1.102 0 CA-C-N 114.44 -1.254 . . . . 0.0 113.851 179.523 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -92.77 -0.43 57.27 Favored 'General case' 0 CA--C 1.553 1.07 0 N-CA-C 113.824 1.046 . . . . 0.0 113.824 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.475 ' CG1' ' N ' ' A' ' 54' ' ' GLU . 0.1 OUTLIER -132.34 172.97 15.49 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.128 0 CA-C-O 122.772 1.272 . . . . 0.0 111.414 -179.907 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.475 ' N ' ' CG1' ' A' ' 53' ' ' ILE . 37.2 tt0 . . . . . 0 C--N 1.354 0.784 0 C-N-CA 128.811 2.845 . . . . 0.0 107.133 177.234 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 51.0 t . . . . . 0 CA--C 1.546 0.823 0 N-CA-C 107.373 -1.343 . . . . 0.0 107.373 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -54.87 152.38 29.17 Favored 'Trans proline' 0 CA--C 1.562 1.875 0 C-N-CA 121.984 1.789 . . . . 0.0 115.936 -179.386 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_exo -48.39 158.78 0.92 Allowed 'Trans proline' 0 C--N 1.368 1.601 0 C-N-CA 125.085 3.857 . . . . 0.0 118.783 179.359 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -78.9 123.39 5.73 Favored 'Trans proline' 0 C--N 1.367 1.512 0 N-CA-C 105.666 -2.475 . . . . 0.0 105.666 175.278 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 1.5 t -69.01 137.66 89.76 Favored Pre-proline 0 CA--C 1.547 0.833 0 CA-C-N 111.465 -2.607 . . . . 0.0 112.668 -176.244 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 26.6 Cg_exo -64.1 162.45 29.52 Favored 'Trans proline' 0 C--N 1.366 1.456 0 C-N-CA 121.786 1.657 . . . . 0.0 113.023 179.01 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_endo -80.77 115.97 3.13 Favored 'Trans proline' 0 CA--C 1.547 1.15 0 N-CA-C 107.755 -1.671 . . . . 0.0 107.755 175.286 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 2.3 ppt_? . . . . . 0 C--N 1.356 0.866 0 C-N-CA 119.313 -0.955 . . . . 0.0 108.973 178.972 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 55.0 tpp . . . . . 0 N--CA 1.441 -0.914 0 N-CA-C 103.782 -2.673 . . . . 0.0 103.782 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -78.51 143.17 36.83 Favored 'General case' 0 C--N 1.351 0.644 0 CA-C-N 113.415 -1.72 . . . . 0.0 108.931 -178.291 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . 0.415 ' CB ' ' HB2' ' A' ' 25' ' ' LEU . . . -134.87 135.85 41.97 Favored 'General case' 0 N--CA 1.444 -0.769 0 CA-C-N 110.186 -3.188 . . . . 0.0 103.634 -179.136 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 4.0 mp -138.94 129.02 32.17 Favored 'Isoleucine or valine' 0 C--N 1.346 0.448 0 O-C-N 124.177 0.923 . . . . 0.0 110.861 -175.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -67.09 121.45 15.62 Favored 'General case' 0 CA--C 1.549 0.916 0 CA-C-N 113.893 -1.503 . . . . 0.0 110.117 178.58 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 28.0 mtpp -88.67 -25.46 22.37 Favored 'General case' 0 C--N 1.346 0.413 0 CA-C-N 114.181 -1.372 . . . . 0.0 113.276 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -139.83 173.65 11.32 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 112.028 -2.351 . . . . 0.0 109.879 -178.5 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 -82.96 128.08 34.13 Favored 'General case' 0 C--N 1.347 0.458 0 CA-C-N 110.597 -3.001 . . . . 0.0 107.182 179.653 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 19.8 t80 -138.66 155.71 48.05 Favored 'General case' 0 C--N 1.35 0.624 0 CA-C-O 124.39 2.043 . . . . 0.0 112.121 -178.728 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.51 125.03 28.05 Favored 'General case' 0 CA--C 1.543 0.689 0 CA-C-N 109.36 -3.563 . . . . 0.0 108.243 178.568 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -51.28 161.58 0.42 Allowed 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 113.236 -1.802 . . . . 0.0 113.406 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -108.83 46.86 0.94 Allowed 'General case' 0 CA--C 1.544 0.733 0 CA-C-N 111.811 -2.449 . . . . 0.0 107.672 177.219 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 77.14 159.88 0.21 Allowed 'General case' 0 C--O 1.212 -0.911 0 CA-C-N 109.318 -3.583 . . . . 0.0 108.36 -178.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -6.91 -41.89 0.0 OUTLIER 'General case' 0 CA--C 1.551 1.0 1 C-N-CA 132.891 4.476 . . . . 0.0 118.037 -178.465 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 24.8 p-10 -63.05 -33.26 75.05 Favored 'General case' 0 CA--C 1.554 1.116 0 CA-C-O 123.511 1.624 . . . . 0.0 111.145 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -102.73 156.19 17.8 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-N 110.947 -2.842 . . . . 0.0 108.256 177.307 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . 0.267 3.9 pp -134.45 152.28 51.69 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 112.215 -2.266 . . . . 0.0 107.943 176.827 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 42.2 m -85.78 160.85 19.38 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 111.117 -2.765 . . . . 0.0 112.386 -175.528 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 33.7 p90 -160.18 148.35 16.77 Favored 'General case' 0 C--N 1.346 0.441 0 CA-C-N 111.202 -2.726 . . . . 0.0 106.463 177.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.34 146.08 32.03 Favored 'General case' 0 N--CA 1.447 -0.58 0 N-CA-C 104.847 -2.279 . . . . 0.0 104.847 178.5 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 19.6 ttm180 -46.94 115.44 1.07 Allowed 'General case' 0 CA--C 1.55 0.946 0 CA-C-N 114.208 -1.36 . . . . 0.0 111.37 177.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 112.23 -3.59 26.8 Favored Glycine 0 CA--C 1.528 0.871 0 CA-C-N 112.46 -2.155 . . . . 0.0 113.292 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 32.3 m-20 -72.85 150.37 42.74 Favored 'General case' 0 C--N 1.369 1.438 0 C-N-CA 115.785 -2.366 . . . . 0.0 109.05 179.775 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 46.7 mm -101.46 123.87 54.84 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.382 0 CA-C-N 112.64 -2.073 . . . . 0.0 106.708 179.675 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.447 ' CD1' ' CD1' ' A' ' 41' ' ' LEU 0.27 1.5 mm? -105.97 166.1 10.73 Favored 'General case' 0 N--CA 1.443 -0.823 0 CA-C-N 112.053 -2.34 . . . . 0.0 110.238 -178.952 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 12.5 ttpt -136.25 112.82 10.05 Favored 'General case' 0 C--O 1.217 -0.619 0 CA-C-N 108.847 -3.797 . . . . 0.0 109.167 178.394 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.8 m -88.33 125.98 41.65 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.222 0 CA-C-O 123.885 1.802 . . . . 0.0 110.697 -175.356 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 49.0 tp -91.7 -59.22 2.18 Favored 'General case' 0 C--N 1.349 0.567 0 CA-C-N 109.657 -3.429 . . . . 0.0 111.272 -177.255 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 83.6 m-20 . . . . . 0 C--N 1.352 0.716 0 O-C-N 125.302 1.626 . . . . 0.0 109.652 -179.211 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 13.5 m120 . . . . . 0 N--CA 1.445 -0.71 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 57.8 m95 -137.99 137.79 38.24 Favored 'General case' 0 C--N 1.359 1.011 0 O-C-N 123.992 0.808 . . . . 0.0 109.284 179.571 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 32.8 m-85 -106.98 143.39 35.15 Favored 'General case' 0 C--N 1.347 0.499 0 CA-C-N 113.412 -1.722 . . . . 0.0 107.888 178.694 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.4 ttmp? -101.42 92.58 4.99 Favored 'General case' 0 C--N 1.35 0.59 0 N-CA-C 105.895 -1.891 . . . . 0.0 105.895 177.611 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -103.7 -174.17 2.48 Favored 'General case' 0 C--N 1.355 0.843 0 CA-C-N 113.616 -1.629 . . . . 0.0 111.359 -177.652 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -125.82 134.51 51.65 Favored 'General case' 0 C--N 1.358 0.975 0 O-C-N 125.528 1.768 . . . . 0.0 110.795 -178.209 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.447 ' CD1' ' CD1' ' A' ' 25' ' ' LEU 0.303 10.4 mt -162.51 144.72 10.81 Favored 'General case' 0 C--N 1.352 0.703 0 CA-C-N 110.136 -3.211 . . . . 0.0 113.551 178.253 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 54.72 37.89 29.1 Favored 'General case' 0 CA--C 1.543 0.683 0 CA-C-N 110.199 -3.182 . . . . 0.0 114.748 170.811 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 72.52 13.88 77.58 Favored Glycine 0 CA--C 1.54 1.629 0 CA-C-N 113.764 -1.562 . . . . 0.0 114.127 -179.774 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 55.3 mtmt -134.09 178.42 6.98 Favored 'General case' 0 C--N 1.354 0.788 0 CA-C-O 122.141 0.972 . . . . 0.0 108.769 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 12.8 p-10 -142.52 135.95 28.84 Favored 'General case' 0 CA--C 1.543 0.686 0 CA-C-N 112.251 -2.25 . . . . 0.0 106.588 178.746 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -167.77 175.69 42.61 Favored Glycine 0 C--N 1.346 1.129 0 C-N-CA 118.821 -1.657 . . . . 0.0 111.547 -176.663 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 80.3 m-85 -79.84 138.86 37.31 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 111.803 -2.198 . . . . 0.0 111.996 -179.169 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 31.6 pt -136.42 135.17 20.38 Favored Pre-proline 0 CA--C 1.544 0.716 0 CA-C-N 111.693 -2.503 . . . . 0.0 105.813 179.372 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 4.4 Cg_endo -68.4 137.27 39.26 Favored 'Trans proline' 0 C--N 1.363 1.328 0 C-N-CA 121.295 1.33 . . . . 0.0 112.884 -178.415 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.43 -16.25 62.38 Favored 'General case' 0 C--N 1.356 0.876 0 C-N-CA 116.127 -2.229 . . . . 0.0 114.331 -179.042 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . 0.257 0.8 OUTLIER -82.17 -13.78 56.63 Favored 'General case' 0 C--N 1.359 1.01 0 C-N-CA 118.081 -1.447 . . . . 0.0 111.221 177.985 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -93.42 -2.12 54.97 Favored 'General case' 0 C--N 1.356 0.851 0 C-N-CA 118.985 -1.086 . . . . 0.0 112.218 177.714 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -134.33 159.09 42.19 Favored 'Isoleucine or valine' 0 C--N 1.36 1.062 0 CA-C-O 122.46 1.124 . . . . 0.0 112.828 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 . . . . . 0 C--N 1.357 0.931 0 CA-C-N 111.437 -2.619 . . . . 0.0 105.389 175.204 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 96.4 t . . . . . 0 CA--C 1.551 1.001 0 N-CA-C 112.62 0.6 . . . . 0.0 112.62 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -50.37 150.85 10.6 Favored 'Trans proline' 0 CA--C 1.559 1.752 0 C-N-CA 122.247 1.964 . . . . 0.0 115.745 -179.194 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_exo -52.73 161.23 3.21 Favored 'Trans proline' 0 C--N 1.367 1.53 0 C-N-CA 124.297 3.331 . . . . 0.0 117.202 179.356 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -79.13 122.51 5.28 Favored 'Trans proline' 0 C--N 1.365 1.433 0 N-CA-C 106.254 -2.249 . . . . 0.0 106.254 175.092 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 2.1 t -68.21 139.41 92.46 Favored Pre-proline 0 CA--C 1.546 0.826 0 CA-C-N 111.651 -2.522 . . . . 0.0 111.83 -176.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 27.4 Cg_exo -61.42 158.56 35.44 Favored 'Trans proline' 0 C--N 1.363 1.314 0 C-N-CA 121.515 1.477 . . . . 0.0 114.116 178.672 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -82.39 112.48 2.21 Favored 'Trans proline' 0 CA--C 1.544 1.023 0 N-CA-C 108.946 -1.213 . . . . 0.0 108.946 176.56 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 4.9 ppt_? . . . . . 0 C--N 1.351 0.645 0 CA-C-N 115.097 -0.956 . . . . 0.0 109.074 179.438 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.7 ptt? . . . . . 0 CA--C 1.53 0.192 0 CA-C-O 121.27 0.557 . . . . 0.0 109.529 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 20.5 tp10 -76.42 158.0 31.76 Favored 'General case' 0 C--N 1.354 0.771 0 N-CA-C 106.432 -1.692 . . . . 0.0 106.432 179.019 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . 0.446 ' CB ' ' HB2' ' A' ' 25' ' ' LEU . . . -140.55 133.95 29.87 Favored 'General case' 0 N--CA 1.451 -0.394 0 N-CA-C 105.431 -2.063 . . . . 0.0 105.431 178.428 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 19.4 mt -144.26 127.46 11.95 Favored 'Isoleucine or valine' 0 C--N 1.345 0.384 0 CA-C-N 114.737 -1.12 . . . . 0.0 109.967 -176.029 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -67.12 120.05 13.07 Favored 'General case' 0 CA--C 1.543 0.683 0 CA-C-N 112.0 -2.364 . . . . 0.0 109.795 178.163 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 30.7 mtmt -86.9 -22.93 25.39 Favored 'General case' 0 C--N 1.342 0.263 0 CA-C-N 113.626 -1.624 . . . . 0.0 109.616 178.535 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 89.0 m-85 -141.31 173.28 11.64 Favored 'General case' 0 C--N 1.348 0.505 0 O-C-N 126.173 2.171 . . . . 0.0 111.356 -179.458 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 -81.82 126.9 32.41 Favored 'General case' 0 C--N 1.347 0.478 0 CA-C-N 109.551 -3.477 . . . . 0.0 107.692 179.466 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 17.3 t80 -139.02 142.56 38.26 Favored 'General case' 0 C--N 1.348 0.517 0 CA-C-O 123.92 1.819 . . . . 0.0 111.376 -179.413 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 16.0 tptp -130.21 101.61 5.86 Favored 'General case' 0 N--CA 1.443 -0.778 0 CA-C-N 110.158 -3.201 . . . . 0.0 106.647 178.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -53.48 157.71 2.01 Favored 'General case' 0 C--N 1.358 0.969 0 CA-C-O 123.6 1.667 . . . . 0.0 112.777 179.229 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -86.23 -25.53 25.54 Favored 'General case' 0 CA--C 1.547 0.865 0 CA-C-N 109.903 -3.317 . . . . 0.0 105.852 175.114 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 63.48 78.75 0.28 Allowed 'General case' 0 C--N 1.355 0.81 0 CA-C-N 111.145 -2.752 . . . . 0.0 111.361 -179.608 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.531 ' HB3' HH21 ' B' ' 8' ' ' ARG . 1.0 OUTLIER -123.42 11.96 9.35 Favored 'General case' 0 N--CA 1.44 -0.971 1 CA-C-N 105.664 -5.243 . . . . 0.0 108.344 178.844 . . . . . . . . 4 4 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 57.1 p30 127.99 -0.22 0.0 OUTLIER 'General case' 0 C--N 1.362 1.138 0 C-N-CA 130.082 3.353 . . . . 0.0 109.238 -175.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -96.97 155.2 16.88 Favored 'General case' 0 C--N 1.349 0.556 0 CA-C-N 112.383 -2.189 . . . . 0.0 110.945 -177.803 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.0 pp -131.94 157.31 44.37 Favored 'General case' 0 N--CA 1.476 0.836 0 CA-C-N 110.884 -2.871 . . . . 0.0 110.96 178.243 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 39.7 m -86.17 155.12 20.88 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-N 109.379 -3.555 . . . . 0.0 112.157 -176.254 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 29.8 p90 -160.49 146.94 15.42 Favored 'General case' 0 C--N 1.345 0.405 0 CA-C-N 110.236 -3.165 . . . . 0.0 106.587 178.793 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 24.7 mtmt -105.67 148.29 27.55 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-N 112.512 -2.131 . . . . 0.0 106.031 179.272 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 18.2 ttp180 -46.75 110.41 0.28 Allowed 'General case' 0 CA--C 1.549 0.922 0 CA-C-N 113.591 -1.641 . . . . 0.0 112.5 178.408 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 108.18 9.99 26.74 Favored Glycine 0 CA--C 1.532 1.145 0 CA-C-N 111.919 -2.4 . . . . 0.0 114.547 179.34 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 34.8 m-20 -70.54 156.54 39.28 Favored 'General case' 0 C--N 1.367 1.347 0 C-N-CA 116.49 -2.084 . . . . 0.0 109.398 179.706 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 37.5 mm -103.5 110.71 30.73 Favored 'Isoleucine or valine' 0 C--N 1.348 0.53 0 CA-C-N 112.709 -2.041 . . . . 0.0 106.203 179.012 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.446 ' HB2' ' CB ' ' A' ' 3' ' ' ALA . 4.1 mp -110.0 168.88 9.1 Favored 'General case' 0 C--N 1.349 0.544 0 CA-C-N 112.196 -2.275 . . . . 0.0 110.318 -177.67 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.422 ' HZ2' HD11 ' A' ' 28' ' ' LEU . 13.4 tmtt? -136.59 109.24 7.48 Favored 'General case' 0 C--O 1.217 -0.64 0 CA-C-N 110.442 -3.072 . . . . 0.0 109.675 178.571 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -89.66 114.83 28.19 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.46 0 CA-C-O 123.578 1.656 . . . . 0.0 109.642 -175.269 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.422 HD11 ' HZ2' ' A' ' 26' ' ' LYS . 6.6 tt -90.74 -38.35 13.09 Favored 'General case' 0 CA--C 1.549 0.919 0 CA-C-N 109.407 -3.542 . . . . 0.0 112.01 -176.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 5.7 p-10 . . . . . 0 C--N 1.36 1.04 0 CA-C-O 122.755 1.264 . . . . 0.0 112.778 179.959 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 31.0 m-20 . . . . . 0 CA--C 1.54 0.567 0 CA-C-O 119.382 -0.342 . . . . 0.0 110.65 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 86.0 m95 -137.21 140.73 41.92 Favored 'General case' 0 C--N 1.36 1.053 0 CA-C-O 122.336 1.065 . . . . 0.0 111.276 -179.155 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . 0.255 18.4 m-85 -105.47 175.07 5.62 Favored 'General case' 0 C--O 1.218 -0.558 0 N-CA-C 104.977 -2.231 . . . . 0.0 104.977 176.77 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 83.2 tttt -135.87 89.57 2.5 Favored 'General case' 0 CA--C 1.538 0.488 0 N-CA-C 104.11 -2.552 . . . . 0.0 104.11 175.346 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -105.32 -172.0 2.02 Favored 'General case' 0 C--N 1.356 0.888 0 CA-C-N 114.42 -1.264 . . . . 0.0 112.369 -177.12 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 51.6 tt0 -130.76 135.0 47.36 Favored 'General case' 0 C--N 1.355 0.838 0 CA-C-N 113.11 -1.859 . . . . 0.0 109.322 -179.623 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . 0.302 12.4 mt -160.23 135.66 8.15 Favored 'General case' 0 CA--C 1.499 -0.996 0 CA-C-N 111.816 -2.447 . . . . 0.0 113.894 179.509 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 57.37 31.45 20.19 Favored 'General case' 0 CA--C 1.549 0.911 0 CA-C-N 110.193 -3.185 . . . . 0.0 113.353 171.843 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 75.25 15.43 81.16 Favored Glycine 0 C--N 1.354 1.563 0 CA-C-N 113.063 -1.881 . . . . 0.0 114.084 -179.668 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 57.9 mtpt -135.41 131.03 35.76 Favored 'General case' 0 C--N 1.354 0.775 0 N-CA-C 109.152 -0.685 . . . . 0.0 109.152 -179.413 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -98.14 146.1 25.92 Favored 'General case' 0 CA--C 1.544 0.724 0 N-CA-C 106.937 -1.505 . . . . 0.0 106.937 177.783 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -178.61 170.9 43.05 Favored Glycine 0 C--N 1.343 0.95 0 C-N-CA 119.103 -1.522 . . . . 0.0 112.119 -177.791 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 76.9 m-85 -80.85 143.38 32.8 Favored 'General case' 0 C--N 1.349 0.568 0 CA-C-N 112.211 -1.994 . . . . 0.0 110.969 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 26.9 pt -140.23 142.27 29.29 Favored Pre-proline 0 CA--C 1.543 0.687 0 CA-C-N 110.978 -2.828 . . . . 0.0 106.082 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -71.92 143.63 41.35 Favored 'Trans proline' 0 C--N 1.361 1.197 0 C-N-CA 121.192 1.261 . . . . 0.0 112.698 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 83.2 mttt -71.71 -26.84 62.66 Favored 'General case' 0 C--N 1.355 0.816 0 C-N-CA 118.495 -1.282 . . . . 0.0 111.936 -179.501 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . 0.303 1.2 p-10 -75.84 -12.36 60.15 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 117.809 -1.556 . . . . 0.0 112.56 178.56 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 -94.1 -8.46 39.56 Favored 'General case' 0 C--N 1.357 0.92 0 C-N-CA 118.986 -1.086 . . . . 0.0 113.759 177.513 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.435 ' CG1' ' N ' ' A' ' 54' ' ' GLU . 0.1 OUTLIER -133.12 171.26 18.44 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.189 0 CA-C-O 122.739 1.257 . . . . 0.0 110.793 -179.78 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.435 ' N ' ' CG1' ' A' ' 53' ' ' ILE . 27.9 tt0 . . . . . 0 CA--C 1.551 0.985 0 C-N-CA 128.923 2.889 . . . . 0.0 104.499 175.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 61.5 t . . . . . 0 CA--C 1.54 0.595 0 N-CA-C 107.056 -1.461 . . . . 0.0 107.056 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 5.9 Cg_endo -68.09 163.46 35.85 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 122.827 0.909 . . . . 0.0 114.015 -179.163 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 69.9 Cg_exo -37.63 154.94 0.03 OUTLIER 'Trans proline' 0 C--N 1.367 1.542 0 C-N-CA 125.134 3.889 . . . . 0.0 118.928 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -75.43 120.4 5.92 Favored 'Trans proline' 0 C--N 1.365 1.407 0 N-CA-C 106.032 -2.334 . . . . 0.0 106.032 175.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 2.6 t -66.07 137.86 95.97 Favored Pre-proline 0 CA--C 1.548 0.898 0 CA-C-N 112.092 -2.322 . . . . 0.0 110.474 -177.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 12.9 Cg_exo -60.16 156.82 37.78 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 123.256 1.134 . . . . 0.0 113.123 179.546 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -77.21 111.33 3.18 Favored 'Trans proline' 0 C--N 1.357 1.015 0 N-CA-C 108.549 -1.366 . . . . 0.0 108.549 177.082 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 8' ' ' ARG . . . . . 0.531 HH21 ' HB3' ' A' ' 14' ' ' ASP . 33.4 ttp85 . . . . . 0 C--N 1.351 0.667 0 CA-C-O 123.056 1.408 . . . . 0.0 108.503 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 57.9 ttp . . . . . 0 CA--C 1.537 0.464 0 CA-C-O 121.728 0.775 . . . . 0.0 110.644 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -88.68 115.46 26.23 Favored 'General case' 0 C--N 1.358 0.97 0 CA-C-N 112.41 -2.177 . . . . 0.0 108.782 179.359 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -103.02 142.22 34.47 Favored 'General case' 0 C--N 1.348 0.541 0 CA-C-N 111.675 -2.511 . . . . 0.0 109.465 -179.461 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.414 ' H ' HG13 ' A' ' 53' ' ' ILE . 16.2 mt -147.55 110.73 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.35 0.616 0 CA-C-N 112.47 -2.15 . . . . 0.0 107.796 -178.326 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -65.7 128.28 35.32 Favored 'General case' 0 CA--C 1.545 0.764 0 CA-C-O 122.378 1.085 . . . . 0.0 110.12 179.778 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 5.7 mtmp? -87.78 -25.89 23.14 Favored 'General case' 0 C--O 1.221 -0.41 0 CA-C-N 112.545 -2.116 . . . . 0.0 110.912 179.428 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 91.3 m-85 -138.09 166.59 23.75 Favored 'General case' 0 C--N 1.347 0.495 0 CA-C-O 123.751 1.738 . . . . 0.0 109.734 -179.112 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -85.19 132.96 34.21 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 109.608 -3.451 . . . . 0.0 106.622 179.352 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 21.2 t80 -139.24 157.89 45.12 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 111.966 -2.379 . . . . 0.0 111.214 -178.151 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.2 tppp? -134.13 118.83 18.13 Favored 'General case' 0 N--CA 1.442 -0.873 1 CA-C-N 108.391 -4.004 . . . . 0.0 106.019 178.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -50.18 154.09 1.28 Allowed 'General case' 0 C--N 1.359 1.001 0 CA-C-O 123.47 1.605 . . . . 0.0 113.003 179.101 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -104.01 -17.85 14.81 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-N 109.888 -3.324 . . . . 0.0 112.173 -179.164 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -151.96 175.98 11.96 Favored 'General case' 0 C--N 1.35 0.612 0 CA-C-N 114.212 -1.358 . . . . 0.0 109.148 -179.727 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -70.91 -27.69 63.97 Favored 'General case' 0 CA--C 1.547 0.832 0 CA-C-N 111.543 -2.571 . . . . 0.0 112.94 -178.598 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -80.0 -20.35 45.65 Favored 'General case' 0 CA--C 1.547 0.849 0 CA-C-N 115.06 -0.973 . . . . 0.0 110.731 178.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -97.82 155.18 17.17 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-N 113.484 -1.689 . . . . 0.0 108.01 178.226 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.3 pp -135.68 164.39 27.98 Favored 'General case' 0 C--N 1.351 0.674 0 CA-C-N 111.753 -2.476 . . . . 0.0 109.945 177.185 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 50.6 m -87.1 158.27 19.22 Favored 'General case' 0 N--CA 1.438 -1.071 0 CA-C-N 108.639 -3.891 . . . . 0.0 112.484 -176.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 24.7 p90 -159.5 151.82 21.09 Favored 'General case' 0 C--O 1.222 -0.356 0 CA-C-N 109.339 -3.573 . . . . 0.0 105.772 177.673 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 18.3 mmtt -110.77 146.23 36.73 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 112.846 -1.979 . . . . 0.0 106.513 -179.663 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 12.5 ttt85 -46.18 111.75 0.4 Allowed 'General case' 0 CA--C 1.554 1.116 0 O-C-N 124.798 1.311 . . . . 0.0 112.468 178.355 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 106.09 11.58 27.58 Favored Glycine 0 CA--C 1.532 1.128 0 CA-C-N 111.473 -2.603 . . . . 0.0 114.401 179.08 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 40.6 m-20 -79.11 144.44 34.54 Favored 'General case' 0 C--N 1.366 1.313 0 C-N-CA 116.133 -2.227 . . . . 0.0 109.554 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 71.7 mt -100.98 124.11 54.41 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.576 0 N-CA-C 105.722 -1.955 . . . . 0.0 105.722 178.64 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.3 mp -114.76 161.78 17.72 Favored 'General case' 0 C--N 1.354 0.765 0 CA-C-N 113.174 -1.83 . . . . 0.0 109.628 -178.416 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 81.4 tttt -111.5 111.58 22.7 Favored 'General case' 0 C--O 1.217 -0.651 0 CA-C-N 110.301 -3.136 . . . . 0.0 110.09 178.178 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 70.2 t -89.79 104.26 14.95 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.362 0 N-CA-C 106.745 -1.576 . . . . 0.0 106.745 -177.596 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -90.45 -32.43 16.4 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-N 110.564 -3.016 . . . . 0.0 109.765 -177.892 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 43.2 t30 . . . . . 0 CA--C 1.548 0.882 0 CA-C-N 114.084 -1.417 . . . . 0.0 109.35 -179.631 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.457 ' HA ' ' HZ1' ' A' ' 50' ' ' LYS . 23.2 m120 . . . . . 0 C--O 1.215 -0.718 0 CA-C-O 118.905 -0.569 . . . . 0.0 112.31 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 70.0 m95 -138.48 117.61 12.61 Favored 'General case' 0 C--N 1.345 0.404 0 C-N-CA 118.039 -1.464 . . . . 0.0 109.685 178.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.417 ' O ' ' HA ' ' A' ' 47' ' ' PHE . 24.4 m-85 -102.05 168.63 9.27 Favored 'General case' 0 C--O 1.215 -0.739 0 CA-C-N 110.677 -2.965 . . . . 0.0 106.607 177.665 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 53.1 tttm -123.89 111.94 16.66 Favored 'General case' 0 N--CA 1.448 -0.527 0 O-C-N 125.809 1.943 . . . . 0.0 106.334 179.399 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -133.9 -179.1 5.33 Favored 'General case' 0 C--N 1.352 0.698 0 CA-C-N 114.277 -1.329 . . . . 0.0 110.553 -177.494 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -122.98 150.38 43.07 Favored 'General case' 0 C--N 1.354 0.795 0 CA-C-O 123.804 1.764 . . . . 0.0 111.518 -177.569 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . 0.27 12.1 mt -159.79 169.2 24.12 Favored 'General case' 0 CA--C 1.503 -0.848 0 CA-C-N 109.129 -3.668 . . . . 0.0 109.707 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . 0.308 1.0 OUTLIER 45.36 -81.85 0.0 OUTLIER 'General case' 0 N--CA 1.438 -1.03 0 CA-C-N 109.056 -3.702 . . . . 0.0 114.456 171.483 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -160.73 10.34 0.13 Allowed Glycine 0 CA--C 1.537 1.424 1 CA-C-N 108.015 -4.175 . . . . 0.0 111.584 178.677 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -137.49 139.71 40.72 Favored 'General case' 0 C--N 1.357 0.898 0 CA-C-O 122.003 0.906 . . . . 0.0 110.445 -179.736 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -102.15 138.01 39.66 Favored 'General case' 0 CA--C 1.559 1.289 0 N-CA-C 105.209 -2.145 . . . . 0.0 105.209 176.053 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -169.58 176.21 43.57 Favored Glycine 0 C--N 1.349 1.259 0 C-N-CA 119.53 -1.319 . . . . 0.0 112.775 -177.534 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.417 ' HA ' ' O ' ' A' ' 37' ' ' TYR . 96.5 m-85 -80.4 144.77 32.41 Favored 'General case' 0 C--N 1.354 0.775 0 CA-C-N 113.285 -1.457 . . . . 0.0 111.901 -179.462 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 25.5 pt -139.15 139.14 22.24 Favored Pre-proline 0 CA--C 1.553 1.082 0 CA-C-N 113.456 -1.702 . . . . 0.0 109.281 -179.611 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.41 ' HA ' ' O ' ' A' ' 35' ' ' ASN . 5.2 Cg_exo -66.89 145.11 73.34 Favored 'Trans proline' 0 CA--C 1.558 1.694 0 C-N-CA 122.296 1.997 . . . . 0.0 115.115 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.457 ' HZ1' ' HA ' ' A' ' 35' ' ' ASN . 27.7 mtmm -69.49 -38.65 77.75 Favored 'General case' 0 C--N 1.378 1.843 0 C-N-CA 113.996 -3.081 . . . . 0.0 112.679 178.594 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 20.5 p-10 -58.83 -19.41 41.11 Favored 'General case' 0 CA--C 1.553 1.062 0 N-CA-C 114.42 1.267 . . . . 0.0 114.42 -179.768 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 12.4 m-85 -95.02 -5.95 43.36 Favored 'General case' 0 C--N 1.354 0.766 0 N-CA-C 114.263 1.209 . . . . 0.0 114.263 -179.614 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.414 HG13 ' H ' ' A' ' 4' ' ' ILE . 0.1 OUTLIER -129.55 162.19 37.59 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.892 0 CA-C-O 123.171 1.462 . . . . 0.0 110.714 -179.355 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 . . . . . 0 N--CA 1.447 -0.617 0 CA-C-N 110.503 -3.044 . . . . 0.0 104.445 177.034 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 2.5 m . . . . . 0 N--CA 1.432 -1.338 0 N-CA-C 108.25 -1.019 . . . . 0.0 108.25 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -47.2 130.87 17.41 Favored 'Trans proline' 0 CA--C 1.578 2.686 0 N-CA-C 116.262 1.601 . . . . 0.0 116.262 -179.308 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_exo -46.29 162.09 0.14 Allowed 'Trans proline' 0 C--N 1.38 2.211 1 C-N-CA 125.977 4.452 . . . . 0.0 119.443 -177.477 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -77.01 113.55 3.64 Favored 'Trans proline' 0 C--N 1.361 1.225 0 N-CA-C 106.552 -2.134 . . . . 0.0 106.552 175.522 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 1.5 t -64.38 134.54 96.02 Favored Pre-proline 0 CA--C 1.56 1.336 0 CA-C-N 111.145 -2.752 . . . . 0.0 111.366 -177.118 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_exo -57.75 161.04 13.3 Favored 'Trans proline' 0 C--N 1.371 1.736 0 C-N-CA 122.47 2.114 . . . . 0.0 115.482 -179.028 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -76.65 118.0 4.71 Favored 'Trans proline' 0 C--N 1.362 1.262 0 C-N-CA 121.505 1.47 . . . . 0.0 109.64 177.288 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 8' ' ' ARG . . . . . 0.448 ' HD3' ' H ' ' B' ' 8' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.349 0.572 0 CA-C-N 113.905 -1.498 . . . . 0.0 109.016 179.675 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.4 ttt . . . . . 0 CA--C 1.537 0.447 0 N-CA-C 106.414 -1.699 . . . . 0.0 106.414 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -62.68 119.04 8.5 Favored 'General case' 0 C--N 1.354 0.792 0 CA-C-N 113.275 -1.784 . . . . 0.0 110.67 -178.36 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -107.16 145.29 32.74 Favored 'General case' 0 N--CA 1.445 -0.675 0 CA-C-N 111.262 -2.699 . . . . 0.0 109.076 179.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 34.2 mt -145.02 114.52 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.351 0.643 0 CA-C-N 113.836 -1.529 . . . . 0.0 109.402 -178.734 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -66.89 122.7 18.28 Favored 'General case' 0 CA--C 1.548 0.898 0 CA-C-N 114.605 -1.18 . . . . 0.0 110.203 178.227 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 23.7 mtmm -87.02 -24.59 24.59 Favored 'General case' 0 C--N 1.344 0.356 0 CA-C-N 113.768 -1.56 . . . . 0.0 110.676 179.257 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 78.7 m-85 -140.05 169.57 17.46 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 112.915 -1.948 . . . . 0.0 110.95 -178.735 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -83.78 122.73 29.06 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-N 109.266 -3.607 . . . . 0.0 107.011 179.637 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 33.2 t80 -138.89 150.27 45.78 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 112.786 -2.006 . . . . 0.0 111.185 -178.561 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 43.0 mttp -133.03 137.54 46.49 Favored 'General case' 0 N--CA 1.446 -0.649 0 CA-C-N 110.372 -3.104 . . . . 0.0 108.524 176.413 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -51.72 142.92 13.77 Favored 'General case' 0 C--N 1.346 0.443 0 CA-C-N 111.856 -2.429 . . . . 0.0 112.085 179.388 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 69.4 p -107.49 -51.16 2.95 Favored 'General case' 0 N--CA 1.448 -0.525 0 CA-C-N 110.95 -2.841 . . . . 0.0 107.391 178.261 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -88.85 173.84 8.3 Favored 'General case' 0 N--CA 1.445 -0.676 0 CA-C-N 111.976 -2.374 . . . . 0.0 109.024 179.136 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -87.6 -20.06 26.92 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-N 110.592 -3.004 . . . . 0.0 112.536 -179.134 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 16.0 p-10 -91.58 -8.2 48.05 Favored 'General case' 0 CA--C 1.548 0.885 0 CA-C-N 113.052 -1.886 . . . . 0.0 110.307 178.485 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -99.7 156.31 17.15 Favored 'General case' 0 C--N 1.351 0.643 0 CA-C-N 112.371 -2.195 . . . . 0.0 109.12 -179.29 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.9 pp -135.74 159.24 42.26 Favored 'General case' 0 C--N 1.351 0.638 0 CA-C-N 112.358 -2.201 . . . . 0.0 110.732 178.151 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 54.8 m -86.4 155.46 20.57 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 110.623 -2.989 . . . . 0.0 112.191 -176.749 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 37.2 p90 -159.65 146.18 16.3 Favored 'General case' 0 C--O 1.219 -0.525 0 CA-C-N 111.39 -2.641 . . . . 0.0 107.257 178.442 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 49.8 pttt -104.86 146.65 28.7 Favored 'General case' 0 C--O 1.224 -0.265 0 CA-C-N 113.4 -1.727 . . . . 0.0 106.782 179.675 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 5.5 tmm_? -46.05 100.96 0.02 OUTLIER 'General case' 0 CA--C 1.549 0.905 0 O-C-N 125.517 1.761 . . . . 0.0 111.698 178.692 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 125.29 -3.69 8.29 Favored Glycine 0 C--N 1.352 1.452 0 CA-C-N 113.449 -1.705 . . . . 0.0 114.993 179.479 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 -74.61 142.83 44.57 Favored 'General case' 0 C--N 1.365 1.255 0 C-N-CA 116.409 -2.116 . . . . 0.0 109.704 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 45.4 mm -100.46 116.38 43.76 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.399 0 CA-C-N 111.774 -2.466 . . . . 0.0 105.283 179.261 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -102.83 -177.45 3.38 Favored 'General case' 0 C--N 1.35 0.629 0 CA-C-N 113.735 -1.575 . . . . 0.0 109.758 -178.337 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 12.8 mmmt -129.47 110.13 11.62 Favored 'General case' 0 C--O 1.215 -0.715 0 CA-C-N 110.074 -3.239 . . . . 0.0 107.673 179.255 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 9.4 t -87.95 99.05 8.23 Favored 'Isoleucine or valine' 0 C--N 1.348 0.537 0 CA-C-O 124.307 2.003 . . . . 0.0 109.413 -176.511 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.1 mp -95.18 73.21 3.37 Favored 'General case' 0 CA--C 1.546 0.808 0 CA-C-N 108.405 -3.998 . . . . 0.0 109.573 178.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 78.26 169.99 0.2 Allowed 'General case' 0 CA--C 1.553 1.089 0 CA-C-N 113.392 -1.731 . . . . 0.0 113.6 177.627 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -158.08 139.25 13.34 Favored 'General case' 0 CA--C 1.548 0.888 0 CA-C-N 110.475 -3.057 . . . . 0.0 105.951 179.196 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -157.04 112.71 2.89 Favored 'General case' 0 CA--C 1.546 0.798 0 CA-C-O 122.418 1.104 . . . . 0.0 109.101 -178.459 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 43.4 m 77.73 -42.94 0.39 Allowed 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 111.934 -2.393 . . . . 0.0 112.862 178.463 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -68.48 101.05 1.18 Allowed 'General case' 0 CA--C 1.544 0.74 0 CA-C-O 123.411 1.577 . . . . 0.0 111.141 179.72 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.472 ' HA ' ' HZ1' ' A' ' 50' ' ' LYS . 7.8 pt20 -106.46 60.72 0.64 Allowed 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 111.579 -2.555 . . . . 0.0 108.34 178.801 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 28.8 m-20 175.5 -15.46 0.0 OUTLIER 'General case' 0 CA--C 1.543 0.691 0 CA-C-N 109.971 -3.286 . . . . 0.0 110.841 -177.364 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 60.5 m95 -138.61 140.08 38.81 Favored 'General case' 0 C--N 1.361 1.09 0 CA-C-O 121.929 0.871 . . . . 0.0 110.986 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -104.33 172.58 6.72 Favored 'General case' 0 C--O 1.218 -0.56 0 N-CA-C 106.079 -1.823 . . . . 0.0 106.079 177.142 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 83.9 tttt -128.21 83.64 2.17 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 103.613 -2.736 . . . . 0.0 103.613 177.011 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -105.86 -175.66 2.86 Favored 'General case' 0 C--N 1.358 0.936 0 CA-C-N 113.165 -1.834 . . . . 0.0 111.103 -176.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -131.11 145.0 51.83 Favored 'General case' 0 C--N 1.36 1.03 0 CA-C-O 123.394 1.569 . . . . 0.0 112.629 -178.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . 0.323 10.8 mt -160.73 137.62 8.93 Favored 'General case' 0 C--N 1.351 0.663 0 CA-C-N 109.933 -3.303 . . . . 0.0 114.051 178.732 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 55.75 32.45 19.49 Favored 'General case' 0 CA--C 1.545 0.785 0 CA-C-N 110.618 -2.992 . . . . 0.0 114.387 170.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 75.2 17.57 80.2 Favored Glycine 0 C--N 1.354 1.562 0 CA-C-N 113.478 -1.692 . . . . 0.0 113.76 -179.69 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 28.9 mtpp -136.03 131.49 35.02 Favored 'General case' 0 C--N 1.353 0.74 0 N-CA-C 108.427 -0.953 . . . . 0.0 108.427 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -98.65 144.43 27.93 Favored 'General case' 0 CA--C 1.546 0.799 0 N-CA-C 105.095 -2.187 . . . . 0.0 105.095 177.327 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -173.41 172.34 45.12 Favored Glycine 0 C--N 1.343 0.939 0 C-N-CA 119.269 -1.443 . . . . 0.0 112.0 -178.22 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 99.3 m-85 -81.05 138.93 35.98 Favored 'General case' 0 C--N 1.347 0.461 0 CA-C-N 112.127 -2.037 . . . . 0.0 111.863 -179.426 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 47.2 pt -139.27 138.26 20.43 Favored Pre-proline 0 CA--C 1.545 0.788 0 CA-C-N 112.256 -2.247 . . . . 0.0 107.191 179.45 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -66.49 140.34 57.08 Favored 'Trans proline' 0 C--N 1.365 1.409 0 C-N-CA 121.624 1.549 . . . . 0.0 112.888 -179.64 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.472 ' HZ1' ' HA ' ' A' ' 34' ' ' GLN . 84.4 mttt -72.1 -22.86 61.29 Favored 'General case' 0 C--N 1.358 0.951 0 C-N-CA 119.306 -0.957 . . . . 0.0 111.471 -179.176 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 7.6 p-10 -77.39 -19.97 55.39 Favored 'General case' 0 CA--C 1.546 0.812 0 CA-C-N 114.024 -1.444 . . . . 0.0 112.699 179.39 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -92.31 -2.47 56.39 Favored 'General case' 0 CA--C 1.551 0.998 0 C-N-CA 118.745 -1.182 . . . . 0.0 112.846 178.05 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.409 HG12 ' SD ' ' A' ' 55' ' ' MET . 0.1 OUTLIER -130.9 159.08 43.2 Favored 'Isoleucine or valine' 0 C--N 1.358 0.972 0 CA-C-O 122.514 1.149 . . . . 0.0 110.496 179.141 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 70.5 tt0 -114.2 112.54 23.33 Favored 'General case' 0 C--N 1.35 0.602 0 CA-C-N 111.703 -2.498 . . . . 0.0 105.461 176.694 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' MET . . . . . 0.474 ' N ' ' SD ' ' A' ' 55' ' ' MET . 2.5 mpp? -90.47 160.66 15.9 Favored 'General case' 0 C--N 1.342 0.281 0 CA-C-N 114.493 -1.231 . . . . 0.0 111.349 -179.124 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -154.52 83.53 4.04 Favored Pre-proline 0 CA--C 1.553 1.085 0 CA-C-N 112.235 -2.257 . . . . 0.0 108.951 -179.32 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 90.2 Cg_endo . . . . . 0 C--N 1.368 1.596 0 C-N-CA 122.819 2.346 . . . . 0.0 113.136 179.85 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.225 -0.204 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 87.5 t 21.7 82.35 0.13 Allowed Pre-proline 0 CA--C 1.551 0.986 0 O-C-N 126.391 2.307 . . . . 0.0 112.607 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_exo -49.19 149.22 9.04 Favored 'Trans proline' 0 CA--C 1.56 1.796 0 C-N-CA 122.016 1.811 . . . . 0.0 115.283 -179.577 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_exo -47.79 159.83 0.52 Allowed 'Trans proline' 0 C--N 1.367 1.506 0 C-N-CA 124.681 3.587 . . . . 0.0 118.071 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 63.6 Cg_endo -80.91 120.99 3.93 Favored 'Trans proline' 0 C--N 1.363 1.318 0 N-CA-C 104.956 -2.748 . . . . 0.0 104.956 174.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 1.8 t -66.74 137.84 95.13 Favored Pre-proline 0 CA--C 1.546 0.8 0 CA-C-N 111.479 -2.6 . . . . 0.0 110.262 -177.257 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_exo -60.4 150.51 80.37 Favored 'Trans proline' 0 C--N 1.359 1.128 0 N-CA-C 114.957 1.099 . . . . 0.0 114.957 -179.562 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -80.65 104.76 1.63 Allowed 'Trans proline' 0 C--N 1.359 1.111 0 N-CA-C 106.85 -2.019 . . . . 0.0 106.85 176.566 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . 0.486 ' HD2' ' H ' ' B' ' 9' ' ' ARG . 2.2 tpt180 -90.29 170.48 10.23 Favored 'General case' 0 CA--C 1.548 0.871 0 CA-C-N 113.409 -1.723 . . . . 0.0 110.069 -178.039 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' ARG . . . . . 0.486 ' H ' ' HD2' ' B' ' 8' ' ' ARG . 75.6 mtt85 -160.29 51.88 0.31 Allowed 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 126.332 1.853 . . . . 0.0 107.33 -179.11 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' ARG . . . . . 0.45 ' HD2' HH21 ' B' ' 8' ' ' ARG . 3.0 tpm_? -78.31 86.12 4.41 Favored 'General case' 0 C--N 1.351 0.671 0 CA-C-N 113.745 -1.57 . . . . 0.0 110.262 -179.018 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.34 0.178 0 CA-C-N 113.372 -1.74 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 32.1 tpp . . . . . 0 N--CA 1.448 -0.562 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 42.1 mm-40 -83.06 114.49 21.33 Favored 'General case' 0 C--N 1.349 0.551 0 CA-C-N 113.651 -1.613 . . . . 0.0 107.536 179.436 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -101.69 153.9 19.36 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 111.145 -2.752 . . . . 0.0 111.147 -177.505 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 63.0 mt -146.21 110.47 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.348 0.543 0 CA-C-N 112.661 -2.063 . . . . 0.0 108.728 -179.098 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -67.37 126.04 28.0 Favored 'General case' 0 CA--C 1.552 1.031 0 CA-C-N 114.7 -1.136 . . . . 0.0 108.929 177.595 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 39.6 mtmt -87.88 -23.96 23.8 Favored 'General case' 0 C--N 1.341 0.235 0 CA-C-N 113.822 -1.535 . . . . 0.0 111.818 179.676 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.521 ' CE1' ' HD3' ' B' ' 2' ' ' PRO . 64.9 m-85 -139.98 171.95 13.46 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 113.038 -1.892 . . . . 0.0 111.462 -178.251 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -85.92 133.89 33.92 Favored 'General case' 0 N--CA 1.444 -0.752 0 CA-C-N 109.127 -3.669 . . . . 0.0 104.259 177.391 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 28.1 t80 -140.41 149.06 42.15 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-N 110.134 -3.212 . . . . 0.0 110.689 -178.675 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.79 126.4 32.29 Favored 'General case' 0 CA--C 1.537 0.481 0 CA-C-N 109.981 -3.282 . . . . 0.0 106.961 178.085 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -52.1 153.0 2.9 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-O 123.24 1.495 . . . . 0.0 112.723 179.633 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.422 ' HG1' ' CD ' ' A' ' 16' ' ' GLU . 18.2 p -109.54 -12.57 14.67 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 110.376 -3.102 . . . . 0.0 111.21 179.566 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -151.03 164.75 35.7 Favored 'General case' 0 C--N 1.349 0.55 0 CA-C-N 112.992 -1.913 . . . . 0.0 109.136 -178.651 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -66.17 -26.85 67.6 Favored 'General case' 0 CA--C 1.549 0.94 0 CA-C-N 111.944 -2.389 . . . . 0.0 112.294 -178.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -78.75 -18.59 53.98 Favored 'General case' 0 C--N 1.354 0.794 0 CA-C-N 113.828 -1.533 . . . . 0.0 112.202 179.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.422 ' CD ' ' HG1' ' A' ' 12' ' ' THR . 30.4 mt-10 -98.96 158.0 15.94 Favored 'General case' 0 C--N 1.347 0.471 0 CA-C-N 113.257 -1.792 . . . . 0.0 107.736 179.65 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -134.32 157.12 47.15 Favored 'General case' 0 C--N 1.35 0.588 0 CA-C-N 113.21 -1.814 . . . . 0.0 109.276 179.39 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 49.7 m -86.81 157.88 19.48 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-N 110.78 -2.918 . . . . 0.0 111.65 -177.615 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 30.8 p90 -160.55 152.98 20.63 Favored 'General case' 0 C--O 1.22 -0.456 0 CA-C-N 111.717 -2.492 . . . . 0.0 107.147 177.163 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 39.5 mtmt -106.38 144.12 33.52 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-N 112.308 -2.224 . . . . 0.0 107.181 -179.61 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 6.1 tmm_? -45.94 102.41 0.03 OUTLIER 'General case' 0 CA--C 1.549 0.907 0 O-C-N 125.519 1.762 . . . . 0.0 111.184 177.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 123.52 -6.06 9.2 Favored Glycine 0 C--N 1.352 1.455 0 CA-C-N 113.544 -1.662 . . . . 0.0 114.596 179.592 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 71.2 m-20 -75.94 143.12 41.8 Favored 'General case' 0 C--N 1.365 1.248 0 C-N-CA 116.204 -2.198 . . . . 0.0 108.646 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 89.8 mt -98.18 126.99 51.08 Favored 'Isoleucine or valine' 0 C--N 1.341 0.206 0 N-CA-C 103.536 -2.764 . . . . 0.0 103.536 179.163 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -101.87 168.92 9.12 Favored 'General case' 0 CA--C 1.508 -0.661 0 CA-C-O 123.628 1.68 . . . . 0.0 110.198 -177.649 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 12.4 tmtt? -117.91 107.27 13.88 Favored 'General case' 0 C--O 1.215 -0.754 0 CA-C-N 108.593 -3.912 . . . . 0.0 108.832 -179.502 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 10.1 t -87.84 131.06 36.45 Favored 'Isoleucine or valine' 0 C--N 1.346 0.456 0 C-N-CA 116.265 -2.174 . . . . 0.0 108.173 -177.08 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 27.2 tp -143.94 80.95 1.67 Allowed 'General case' 0 N--CA 1.447 -0.612 0 CA-C-N 109.692 -3.413 . . . . 0.0 105.681 -177.265 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 80.3 m-20 86.88 170.48 0.06 Allowed 'General case' 0 C--N 1.349 0.578 0 CA-C-N 109.901 -3.318 . . . . 0.0 107.663 -177.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 80.8 mt-10 -134.19 -168.1 2.07 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 112.731 -2.032 . . . . 0.0 108.182 -179.013 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.419 ' C ' ' H ' ' A' ' 33' ' ' ASP . 9.7 tt0 -134.98 120.7 19.49 Favored 'General case' 0 N--CA 1.432 -1.327 0 N-CA-C 102.128 -3.286 . . . . 0.0 102.128 178.685 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 60.7 m -60.57 7.86 0.03 OUTLIER 'General case' 0 CA--C 1.546 0.792 0 CA-C-N 111.861 -2.427 . . . . 0.0 114.912 -179.163 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.419 ' H ' ' C ' ' A' ' 31' ' ' GLU . 45.0 m-20 -93.02 19.28 8.0 Favored 'General case' 0 C--N 1.359 1.012 0 N-CA-C 114.106 1.15 . . . . 0.0 114.106 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 20.2 tt0 27.39 58.87 0.09 Allowed 'General case' 0 C--O 1.224 -0.237 0 C-N-CA 131.174 3.79 . . . . 0.0 112.692 177.061 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -168.15 -12.92 0.02 OUTLIER 'General case' 0 N--CA 1.442 -0.842 0 CA-C-N 109.814 -3.357 . . . . 0.0 110.46 -176.216 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 84.9 m95 -137.23 147.02 45.5 Favored 'General case' 0 C--N 1.357 0.898 0 CA-C-O 122.773 1.273 . . . . 0.0 110.691 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.493 ' OH ' ' SD ' ' A' ' 55' ' ' MET . 10.2 m-85 -129.59 149.71 51.23 Favored 'General case' 0 C--O 1.219 -0.519 0 CA-C-N 111.264 -2.698 . . . . 0.0 108.051 178.222 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 38.3 ttmt -103.42 116.21 31.99 Favored 'General case' 0 CA--C 1.536 0.412 0 N-CA-C 105.397 -2.075 . . . . 0.0 105.397 176.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -137.2 178.35 7.16 Favored 'General case' 0 C--N 1.351 0.663 0 C-N-CA 118.573 -1.251 . . . . 0.0 111.129 -179.425 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -129.74 146.93 51.48 Favored 'General case' 0 C--N 1.361 1.078 0 CA-C-O 123.016 1.388 . . . . 0.0 112.677 -177.261 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . 0.333 9.4 mt -161.11 138.45 9.04 Favored 'General case' 0 C--N 1.353 0.727 0 CA-C-N 110.15 -3.204 . . . . 0.0 112.681 178.66 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 56.29 28.76 13.83 Favored 'General case' 0 CA--C 1.549 0.921 0 CA-C-N 111.995 -2.366 . . . . 0.0 115.162 170.895 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 72.52 21.6 79.41 Favored Glycine 0 CA--C 1.541 1.695 0 CA-C-N 114.511 -1.222 . . . . 0.0 113.386 -179.468 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -137.08 114.71 11.16 Favored 'General case' 0 C--N 1.35 0.623 0 CA-C-N 113.64 -1.28 . . . . 0.0 108.118 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -97.5 137.9 35.74 Favored 'General case' 0 CA--C 1.551 0.991 0 CA-C-N 113.765 -1.561 . . . . 0.0 107.862 179.435 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -169.39 175.12 43.75 Favored Glycine 0 C--N 1.348 1.211 0 CA-C-N 113.574 -1.648 . . . . 0.0 112.493 -178.372 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -80.57 149.66 29.84 Favored 'General case' 0 CA--C 1.542 0.661 0 CA-C-N 113.622 -1.289 . . . . 0.0 111.345 179.521 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 31.2 pt -140.65 141.21 24.24 Favored Pre-proline 0 CA--C 1.549 0.923 0 CA-C-N 111.924 -2.398 . . . . 0.0 107.446 179.384 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 5.4 Cg_endo -74.06 144.79 34.44 Favored 'Trans proline' 0 C--N 1.362 1.288 0 C-N-CA 121.761 1.641 . . . . 0.0 113.1 179.447 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 36.6 mtmt -71.59 -33.19 68.82 Favored 'General case' 0 C--N 1.362 1.134 0 C-N-CA 116.431 -2.107 . . . . 0.0 112.308 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . 0.352 0.9 OUTLIER -69.34 -9.01 51.42 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 117.213 -1.795 . . . . 0.0 114.221 -179.872 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 15.1 m-85 -95.31 -4.76 44.96 Favored 'General case' 0 C--N 1.354 0.784 0 C-N-CA 119.407 -0.917 . . . . 0.0 112.253 177.39 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.413 ' CG1' ' N ' ' A' ' 54' ' ' GLU . 0.1 OUTLIER -128.4 166.23 26.14 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.035 0 CA-C-O 123.125 1.441 . . . . 0.0 110.937 179.18 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.413 ' N ' ' CG1' ' A' ' 53' ' ' ILE . 36.1 tt0 -122.73 122.77 39.53 Favored 'General case' 0 CA--C 1.545 0.762 0 CA-C-N 110.6 -3.0 . . . . 0.0 106.132 177.475 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' MET . . . . . 0.493 ' SD ' ' OH ' ' A' ' 37' ' ' TYR . 35.2 mtm -88.16 170.52 10.97 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-O 123.01 1.386 . . . . 0.0 112.499 -178.628 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 48.9 mtmt -155.45 94.12 2.6 Favored Pre-proline 0 CA--C 1.55 0.951 0 CA-C-N 110.856 -2.883 . . . . 0.0 108.614 178.716 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo . . . . . 0 C--N 1.366 1.485 0 C-N-CA 121.334 1.356 . . . . 0.0 110.952 178.761 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.223 -0.322 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 1' ' ' VAL . . . . . 0.412 ' N ' ' HD2' ' B' ' 2' ' ' PRO 2.308 7.5 p -16.02 -66.31 0.03 OUTLIER Pre-proline 0 CA--C 1.556 1.202 0 C-N-CA 128.023 2.529 . . . . 0.0 115.377 . . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 2' ' ' PRO . . . . . 0.521 ' HD3' ' CE1' ' A' ' 7' ' ' TYR 0.393 51.9 Cg_exo 10.25 113.21 0.0 OUTLIER 'Trans proline' 0 CA--C 1.563 1.971 1 C-N-CA 127.249 5.299 . . . . 0.0 119.74 -178.865 . . . . . . . . 4 3 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo -40.31 158.47 0.04 OUTLIER 'Trans proline' 0 C--N 1.38 2.198 1 C-N-CA 125.381 4.054 . . . . 0.0 119.272 -177.319 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_endo -73.19 112.53 3.55 Favored 'Trans proline' 0 C--N 1.359 1.131 0 N-CA-C 105.213 -2.649 . . . . 0.0 105.213 175.63 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 2.4 t -57.94 135.8 83.66 Favored Pre-proline 0 CA--C 1.546 0.822 0 CA-C-N 111.322 -2.672 . . . . 0.0 109.547 -177.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -56.87 160.86 11.4 Favored 'Trans proline' 0 C--N 1.362 1.254 0 N-CA-C 115.371 1.258 . . . . 0.0 115.371 -178.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -77.23 115.93 4.06 Favored 'Trans proline' 0 C--N 1.358 1.073 0 N-CA-C 108.204 -1.499 . . . . 0.0 108.204 176.585 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.64 70.88 8.85 Favored 'General case' 0 C--N 1.35 0.618 0 CA-C-O 123.729 1.728 . . . . 0.0 106.904 178.89 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 7.9 ptm85 162.94 84.27 0.0 OUTLIER 'General case' 0 N--CA 1.442 -0.864 0 CA-C-N 109.518 -3.492 . . . . 0.0 106.437 -177.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -49.04 96.14 0.01 OUTLIER 'General case' 0 C--N 1.346 0.452 0 CA-C-N 112.215 -2.266 . . . . 0.0 111.075 179.564 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 112.048 -2.342 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 51.5 ttm . . . . . 0 N--CA 1.448 -0.549 0 N-CA-C 106.095 -1.817 . . . . 0.0 106.095 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -81.02 120.66 25.08 Favored 'General case' 0 C--N 1.356 0.856 0 CA-C-N 112.711 -2.041 . . . . 0.0 107.137 179.513 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -103.13 142.33 34.32 Favored 'General case' 0 CA--C 1.535 0.404 0 CA-C-N 111.434 -2.621 . . . . 0.0 108.596 -178.552 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 87.4 mt -137.85 116.24 13.66 Favored 'Isoleucine or valine' 0 C--N 1.348 0.543 0 CA-C-N 113.248 -1.796 . . . . 0.0 109.379 -176.399 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -67.28 123.02 19.18 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 113.559 -1.655 . . . . 0.0 109.586 178.214 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 35.3 mtmt -88.04 -23.43 23.77 Favored 'General case' 0 C--N 1.343 0.32 0 CA-C-N 113.678 -1.601 . . . . 0.0 110.798 179.003 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.409 ' CG ' ' HB3' ' B' ' 2' ' ' PRO . 97.1 m-85 -139.98 168.82 18.93 Favored 'General case' 0 C--N 1.348 0.529 0 CA-C-N 113.22 -1.809 . . . . 0.0 111.576 -178.575 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -85.18 129.38 34.81 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 109.906 -3.315 . . . . 0.0 107.778 179.547 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 16.5 t80 -139.05 150.96 46.36 Favored 'General case' 0 C--N 1.348 0.537 0 CA-C-N 112.098 -2.319 . . . . 0.0 112.599 -177.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.34 115.72 12.68 Favored 'General case' 0 CA--C 1.544 0.719 0 CA-C-N 108.571 -3.922 . . . . 0.0 107.417 178.492 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -50.31 163.28 0.17 Allowed 'General case' 0 N--CA 1.477 0.896 0 CA-C-N 113.591 -1.641 . . . . 0.0 114.293 -179.771 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.0 p -108.25 -17.08 14.1 Favored 'General case' 0 C--N 1.35 0.613 0 CA-C-N 110.465 -3.061 . . . . 0.0 112.112 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -152.42 176.4 11.69 Favored 'General case' 0 C--N 1.348 0.532 0 CA-C-N 113.321 -1.763 . . . . 0.0 111.301 -178.638 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -71.43 -24.3 62.01 Favored 'General case' 0 CA--C 1.55 0.965 0 CA-C-N 110.78 -2.918 . . . . 0.0 112.43 -179.11 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -80.28 -21.94 42.14 Favored 'General case' 0 CA--C 1.547 0.84 0 CA-C-N 114.385 -1.279 . . . . 0.0 111.545 179.026 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -99.76 157.19 16.67 Favored 'General case' 0 C--N 1.349 0.577 0 CA-C-N 113.145 -1.843 . . . . 0.0 108.464 179.24 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . 0.29 3.7 pp -137.73 161.42 36.57 Favored 'General case' 0 C--N 1.351 0.669 0 CA-C-O 124.155 1.931 . . . . 0.0 111.976 177.863 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 31.1 m -86.85 150.73 23.91 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-N 109.013 -3.721 . . . . 0.0 113.37 -176.367 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 43.6 p90 -160.42 142.92 13.08 Favored 'General case' 0 C--O 1.217 -0.654 0 CA-C-N 109.564 -3.471 . . . . 0.0 106.134 178.415 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -106.3 153.39 22.25 Favored 'General case' 0 C--O 1.222 -0.384 0 N-CA-C 104.842 -2.281 . . . . 0.0 104.842 179.349 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 34.1 ttp85 -47.39 111.44 0.41 Allowed 'General case' 0 CA--C 1.547 0.864 0 O-C-N 124.776 1.298 . . . . 0.0 112.151 178.473 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 114.38 -3.85 23.5 Favored Glycine 0 C--N 1.346 1.132 0 CA-C-N 112.486 -2.143 . . . . 0.0 114.198 179.393 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -75.63 145.03 41.39 Favored 'General case' 0 C--N 1.369 1.414 0 C-N-CA 115.802 -2.359 . . . . 0.0 108.833 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -97.65 125.65 50.76 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.127 0 CA-C-N 112.342 -2.208 . . . . 0.0 107.151 178.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.464 ' CD1' ' CD1' ' A' ' 41' ' ' LEU . 0.4 OUTLIER -104.32 176.31 5.2 Favored 'General case' 0 C--N 1.352 0.68 0 CA-C-N 113.062 -1.881 . . . . 0.0 109.225 -179.287 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 48.9 tptt -130.0 109.08 10.59 Favored 'General case' 0 C--O 1.215 -0.749 0 CA-C-N 109.503 -3.499 . . . . 0.0 108.817 -178.509 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 31.3 t -88.2 116.15 29.61 Favored 'Isoleucine or valine' 0 C--N 1.344 0.333 0 C-N-CA 117.967 -1.493 . . . . 0.0 109.613 -175.591 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 49.8 tp -93.41 -54.12 3.8 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 110.235 -3.166 . . . . 0.0 110.432 -179.654 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 74.8 m-20 -137.45 152.56 49.69 Favored 'General case' 0 C--N 1.355 0.844 0 CA-C-N 113.76 -1.564 . . . . 0.0 111.679 -178.483 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 -146.0 -161.24 1.27 Allowed 'General case' 0 CA--C 1.547 0.859 0 CA-C-N 111.189 -2.732 . . . . 0.0 106.766 178.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . 0.258 9.1 pt-20 48.34 30.99 2.49 Favored 'General case' 0 C--N 1.355 0.831 0 C-N-CA 125.299 1.44 . . . . 0.0 114.752 179.776 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 90.5 m -114.0 -28.75 7.25 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 113.225 -1.807 . . . . 0.0 109.067 179.175 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -148.38 135.41 20.15 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 112.417 -2.174 . . . . 0.0 107.106 -179.476 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 3.4 mp0 -109.22 64.84 0.61 Allowed 'General case' 0 C--N 1.352 0.685 0 CA-C-N 114.074 -1.421 . . . . 0.0 109.359 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 7.0 m120 -179.11 -23.29 0.0 OUTLIER 'General case' 0 CA--C 1.545 0.786 0 CA-C-N 110.82 -2.9 . . . . 0.0 108.79 -178.266 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 68.1 m95 -133.12 161.77 33.53 Favored 'General case' 0 C--N 1.361 1.079 0 CA-C-O 122.306 1.05 . . . . 0.0 109.3 -179.295 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 -132.38 146.6 52.08 Favored 'General case' 0 C--N 1.348 0.509 0 CA-C-N 112.169 -2.287 . . . . 0.0 108.048 178.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 82.6 tttt -104.51 110.68 23.06 Favored 'General case' 0 C--N 1.35 0.627 0 N-CA-C 105.438 -2.06 . . . . 0.0 105.438 176.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -134.6 -176.45 4.23 Favored 'General case' 0 C--N 1.359 0.989 0 O-C-N 124.636 1.21 . . . . 0.0 109.921 -178.356 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 9.8 tm-20 -134.29 146.22 49.8 Favored 'General case' 0 C--N 1.363 1.153 0 CA-C-O 123.043 1.401 . . . . 0.0 112.859 -177.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.464 ' CD1' ' CD1' ' A' ' 25' ' ' LEU 0.351 10.6 mt -160.95 143.21 12.44 Favored 'General case' 0 C--N 1.35 0.601 0 CA-C-N 110.365 -3.107 . . . . 0.0 113.103 179.123 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 57.09 29.91 17.36 Favored 'General case' 0 CA--C 1.545 0.78 0 CA-C-N 110.969 -2.832 . . . . 0.0 115.252 171.09 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 80.56 8.96 87.0 Favored Glycine 0 C--N 1.351 1.402 0 CA-C-N 114.182 -1.372 . . . . 0.0 113.851 -179.589 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.86 135.43 39.76 Favored 'General case' 0 C--N 1.351 0.66 0 CA-C-O 121.923 0.868 . . . . 0.0 109.738 -178.627 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -97.71 144.51 27.27 Favored 'General case' 0 CA--C 1.546 0.808 0 N-CA-C 105.533 -2.025 . . . . 0.0 105.533 177.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -173.09 170.41 43.56 Favored Glycine 0 C--N 1.346 1.084 0 CA-C-N 114.174 -1.375 . . . . 0.0 112.204 -178.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -80.67 142.61 33.77 Favored 'General case' 0 C--N 1.348 0.503 0 CA-C-N 112.374 -1.913 . . . . 0.0 111.213 179.713 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 28.2 pt -138.9 142.61 34.25 Favored Pre-proline 0 CA--C 1.546 0.807 0 CA-C-N 111.114 -2.766 . . . . 0.0 106.202 179.35 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 0.9 OUTLIER -71.91 145.14 44.73 Favored 'Trans proline' 0 C--N 1.362 1.284 0 C-N-CA 121.329 1.352 . . . . 0.0 112.283 179.557 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 64.6 mttt -71.32 -24.21 62.08 Favored 'General case' 0 C--N 1.355 0.829 0 C-N-CA 118.038 -1.465 . . . . 0.0 112.538 -179.73 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 9.2 p-10 -76.96 -16.74 59.26 Favored 'General case' 0 CA--C 1.544 0.717 0 CA-C-N 113.969 -1.469 . . . . 0.0 113.049 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -93.7 -5.61 48.12 Favored 'General case' 0 CA--C 1.554 1.111 0 C-N-CA 118.812 -1.155 . . . . 0.0 113.304 178.687 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -130.27 162.94 37.17 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.096 0 CA-C-O 123.26 1.505 . . . . 0.0 111.311 179.185 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -110.02 117.83 34.81 Favored 'General case' 0 CA--C 1.544 0.736 0 CA-C-N 110.261 -3.154 . . . . 0.0 106.496 176.473 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 2.8 mpp? -88.44 162.04 16.71 Favored 'General case' 0 C--N 1.346 0.446 0 CA-C-O 122.201 1.001 . . . . 0.0 109.54 179.277 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 28.1 mmmt -153.7 84.72 4.15 Favored Pre-proline 0 CA--C 1.555 1.173 0 CA-C-N 112.327 -2.215 . . . . 0.0 108.278 -179.528 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 25.3 Cg_exo . . . . . 0 C--N 1.369 1.64 0 C-N-CA 121.846 1.697 . . . . 0.0 113.352 179.278 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.223 -0.31 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 7.2 p -120.28 91.51 46.32 Favored Pre-proline 0 CA--C 1.546 0.795 0 O-C-N 125.592 1.807 . . . . 0.0 107.535 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 2' ' ' PRO . . . . . 0.409 ' HB3' ' CG ' ' A' ' 7' ' ' TYR . 1.0 OUTLIER -71.02 164.56 35.32 Favored 'Trans proline' 0 CA--C 1.552 1.388 0 N-CA-C 114.885 1.071 . . . . 0.0 114.885 -178.428 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_exo -42.0 155.7 0.09 OUTLIER 'Trans proline' 0 C--N 1.369 1.641 1 C-N-CA 125.325 4.017 . . . . 0.0 118.143 179.556 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -76.5 121.19 5.89 Favored 'Trans proline' 0 C--N 1.364 1.386 0 N-CA-C 105.72 -2.454 . . . . 0.0 105.72 176.062 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 1.8 t -68.18 135.89 91.47 Favored Pre-proline 0 N--CA 1.44 -0.969 0 CA-C-N 111.267 -2.697 . . . . 0.0 110.793 -177.211 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_exo -60.85 160.65 24.46 Favored 'Trans proline' 0 C--N 1.36 1.15 0 C-N-CA 121.322 1.348 . . . . 0.0 114.751 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -83.12 110.71 1.81 Allowed 'Trans proline' 0 CA--C 1.547 1.157 0 C-N-CA 120.926 1.084 . . . . 0.0 109.847 176.616 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.33 108.18 19.21 Favored 'General case' 0 C--N 1.349 0.578 0 N-CA-C 107.05 -1.463 . . . . 0.0 107.05 178.389 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 64.3 ttt180 -153.51 72.61 0.93 Allowed 'General case' 0 N--CA 1.425 -1.72 0 CA-C-N 111.566 -2.561 . . . . 0.0 105.096 -178.704 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 9.9 tpt180 -69.43 -10.98 60.39 Favored 'General case' 0 CA--C 1.549 0.922 0 CA-C-N 111.012 -2.813 . . . . 0.0 112.09 179.386 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.334 -0.097 0 CA-C-N 114.61 -1.177 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.7 ptt? . . . . . 0 C--O 1.226 -0.161 0 CA-C-O 122.006 0.908 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -97.18 128.22 43.87 Favored 'General case' 0 C--N 1.352 0.696 0 CA-C-N 112.104 -2.316 . . . . 0.0 108.241 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.455 ' CB ' ' HB2' ' A' ' 25' ' ' LEU . . . -109.01 142.56 39.5 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 111.124 -2.762 . . . . 0.0 105.795 179.105 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 74.6 mt -140.26 122.17 15.56 Favored 'Isoleucine or valine' 0 C--N 1.35 0.619 0 CA-C-N 115.387 -0.824 . . . . 0.0 109.502 -177.637 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -66.43 128.23 35.39 Favored 'General case' 0 CA--C 1.555 1.138 0 CA-C-O 122.481 1.134 . . . . 0.0 110.546 178.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.4 mmpt? -87.98 -32.5 18.82 Favored 'General case' 0 C--N 1.344 0.34 0 CA-C-N 112.667 -2.061 . . . . 0.0 111.06 179.749 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 -140.43 174.02 10.92 Favored 'General case' 0 C--N 1.344 0.363 0 O-C-N 126.014 2.072 . . . . 0.0 109.801 -178.767 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 57.1 t0 -87.97 135.1 33.56 Favored 'General case' 0 C--N 1.353 0.728 0 CA-C-N 112.173 -2.285 . . . . 0.0 106.452 179.133 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 28.5 t80 -140.49 149.68 42.81 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 110.883 -2.871 . . . . 0.0 111.286 -178.612 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 47.7 mmtm -133.88 123.31 24.5 Favored 'General case' 0 N--CA 1.455 -0.213 0 CA-C-N 110.75 -2.932 . . . . 0.0 108.076 177.119 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -52.14 155.66 1.86 Allowed 'General case' 0 N--CA 1.475 0.778 0 CA-C-N 112.56 -2.109 . . . . 0.0 113.515 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -120.44 2.79 10.78 Favored 'General case' 0 CA--C 1.548 0.866 0 CA-C-N 111.868 -2.424 . . . . 0.0 110.289 178.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -152.23 162.84 40.54 Favored 'General case' 0 C--N 1.35 0.611 0 CA-C-O 123.581 1.658 . . . . 0.0 110.033 -179.387 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -68.67 -23.36 64.39 Favored 'General case' 0 CA--C 1.55 0.954 0 CA-C-N 109.814 -3.357 . . . . 0.0 111.982 179.679 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -87.69 -18.73 28.88 Favored 'General case' 0 CA--C 1.545 0.783 0 CA-C-N 114.092 -1.413 . . . . 0.0 112.108 179.717 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -101.21 156.53 17.38 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 112.806 -1.997 . . . . 0.0 108.704 179.504 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . 0.345 4.3 pp -138.1 160.89 38.2 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 113.287 -1.779 . . . . 0.0 110.507 177.351 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . 0.259 47.1 m -85.43 157.4 20.49 Favored 'General case' 0 N--CA 1.445 -0.676 0 CA-C-N 109.72 -3.4 . . . . 0.0 112.128 -176.221 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 38.2 p90 -160.16 149.43 17.57 Favored 'General case' 0 C--O 1.222 -0.366 0 CA-C-N 109.705 -3.407 . . . . 0.0 106.92 177.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 14.2 mttt -106.74 143.77 34.37 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 111.706 -2.497 . . . . 0.0 106.324 -179.613 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.9 100.89 0.02 OUTLIER 'General case' 0 CA--C 1.551 1.002 0 O-C-N 125.072 1.483 . . . . 0.0 112.157 178.049 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 119.85 3.83 11.96 Favored Glycine 0 C--N 1.352 1.451 0 CA-C-N 113.429 -1.714 . . . . 0.0 115.121 179.271 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 50.5 m-20 -74.64 151.5 39.31 Favored 'General case' 0 C--N 1.364 1.22 0 C-N-CA 116.903 -1.919 . . . . 0.0 108.623 179.387 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 4.2 pt -100.38 120.07 49.34 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.672 0 CA-C-N 112.448 -2.16 . . . . 0.0 106.959 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.455 ' HB2' ' CB ' ' A' ' 3' ' ' ALA 0.304 0.8 OUTLIER -104.45 161.43 14.1 Favored 'General case' 0 N--CA 1.446 -0.641 0 CA-C-N 111.98 -2.373 . . . . 0.0 112.386 -178.368 . . . . . . . . 4 4 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 26.7 tptp -110.9 125.66 53.89 Favored 'General case' 0 C--O 1.213 -0.84 1 CA-C-N 108.174 -4.103 . . . . 0.0 104.523 176.394 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 87.0 t -91.8 123.08 43.79 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.581 0 C-N-CA 116.296 -2.162 . . . . 0.0 106.482 -179.741 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 61.4 tp -93.52 -69.55 0.74 Allowed 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 113.341 -1.754 . . . . 0.0 111.222 -178.556 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 14.0 t30 -126.84 136.66 52.66 Favored 'General case' 0 C--N 1.354 0.772 0 CA-C-N 113.129 -1.85 . . . . 0.0 109.193 -179.327 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -144.53 57.38 1.3 Allowed 'General case' 0 CA--C 1.541 0.632 0 CA-C-N 112.879 -1.964 . . . . 0.0 109.625 -178.683 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -154.4 49.08 0.61 Allowed 'General case' 0 C--N 1.349 0.549 0 CA-C-N 113.234 -1.803 . . . . 0.0 110.702 -178.364 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 20.5 p -141.14 -50.27 0.43 Allowed 'General case' 0 C--N 1.345 0.385 0 CA-C-N 112.508 -2.133 . . . . 0.0 109.643 179.391 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 51.7 m-20 -135.91 147.33 48.09 Favored 'General case' 0 C--N 1.352 0.682 0 CA-C-O 124.35 2.024 . . . . 0.0 111.436 -179.547 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -107.31 41.56 1.47 Allowed 'General case' 0 C--N 1.347 0.477 0 CA-C-N 108.951 -3.749 . . . . 0.0 107.862 178.703 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 28.8 m120 -158.22 -30.35 0.08 Allowed 'General case' 0 CA--C 1.546 0.823 0 CA-C-N 109.918 -3.31 . . . . 0.0 109.72 -176.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 77.8 m95 -136.21 145.43 45.68 Favored 'General case' 0 C--N 1.362 1.122 0 O-C-N 124.134 0.896 . . . . 0.0 110.146 -178.732 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 19.8 m-85 -129.93 147.19 51.67 Favored 'General case' 0 C--N 1.351 0.648 0 CA-C-N 112.944 -1.934 . . . . 0.0 108.239 179.027 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 82.4 tttt -101.43 120.94 41.05 Favored 'General case' 0 C--N 1.349 0.553 0 N-CA-C 106.063 -1.828 . . . . 0.0 106.063 177.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -133.83 165.85 24.03 Favored 'General case' 0 C--N 1.356 0.851 0 O-C-N 124.199 0.937 . . . . 0.0 111.155 -178.066 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -105.32 134.74 47.93 Favored 'General case' 0 C--N 1.367 1.35 0 O-C-N 124.781 1.301 . . . . 0.0 111.174 -178.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.419 ' CD1' ' CD1' ' A' ' 25' ' ' LEU 0.312 9.5 mt -162.12 142.03 9.93 Favored 'General case' 0 C--N 1.354 0.769 0 CA-C-N 111.028 -2.805 . . . . 0.0 113.149 178.333 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 54.57 42.32 31.37 Favored 'General case' 0 C--N 1.35 0.594 0 CA-C-N 110.334 -3.121 . . . . 0.0 114.542 170.751 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 68.4 14.01 66.08 Favored Glycine 0 CA--C 1.537 1.451 0 CA-C-N 113.177 -1.829 . . . . 0.0 114.322 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.44 ' HB2' ' HZ3' ' A' ' 44' ' ' LYS . 10.7 mtmp? -134.98 178.36 7.08 Favored 'General case' 0 C--N 1.354 0.783 0 CA-C-O 121.928 0.871 . . . . 0.0 108.733 -179.48 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -142.18 138.1 31.29 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-N 112.597 -2.092 . . . . 0.0 107.36 179.195 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -170.84 173.48 44.58 Favored Glycine 0 C--N 1.348 1.198 0 C-N-CA 118.123 -1.989 . . . . 0.0 111.949 -178.415 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -79.6 141.9 36.14 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 112.204 -1.998 . . . . 0.0 111.907 -178.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 40.0 pt -137.96 137.61 21.68 Favored Pre-proline 0 CA--C 1.544 0.717 0 CA-C-N 111.781 -2.463 . . . . 0.0 106.925 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 1.7 Cg_endo -67.85 137.61 42.12 Favored 'Trans proline' 0 C--N 1.366 1.459 0 C-N-CA 121.068 1.179 . . . . 0.0 111.808 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 15.6 ptpt -71.56 -18.87 62.22 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 116.214 -2.194 . . . . 0.0 113.577 -179.3 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . 0.299 0.6 OUTLIER -80.96 -12.72 59.34 Favored 'General case' 0 C--N 1.36 1.055 0 C-N-CA 118.787 -1.165 . . . . 0.0 111.573 178.424 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.416 ' CE1' HG23 ' B' ' 5' ' ' VAL . 9.5 m-85 -93.16 4.52 53.85 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 119.533 -0.867 . . . . 0.0 112.181 176.438 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.508 HG12 ' SD ' ' A' ' 55' ' ' MET . 0.1 OUTLIER -135.03 165.91 29.73 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.208 0 CA-C-O 122.623 1.201 . . . . 0.0 111.422 178.385 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -123.32 108.74 13.09 Favored 'General case' 0 C--N 1.352 0.713 0 C-N-CA 128.464 2.706 . . . . 0.0 106.368 177.426 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' MET . . . . . 0.508 ' SD ' HG12 ' A' ' 53' ' ' ILE . 2.7 mpp? -91.17 169.39 10.88 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-O 122.71 1.243 . . . . 0.0 111.347 -179.302 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 33.0 mmtp -154.69 90.41 3.1 Favored Pre-proline 0 CA--C 1.548 0.901 0 CA-C-N 111.257 -2.701 . . . . 0.0 106.367 178.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_endo . . . . . 0 C--N 1.369 1.623 0 C-N-CA 121.807 1.671 . . . . 0.0 112.493 -179.165 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.224 -0.239 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 59.2 t -125.14 87.03 56.07 Favored Pre-proline 0 CA--C 1.546 0.817 0 O-C-N 125.526 1.766 . . . . 0.0 107.855 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 22.6 Cg_exo -61.1 162.86 18.25 Favored 'Trans proline' 0 CA--C 1.558 1.693 0 C-N-CA 121.344 1.362 . . . . 0.0 113.99 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -45.15 157.77 0.22 Allowed 'Trans proline' 0 C--N 1.365 1.408 0 C-N-CA 125.04 3.827 . . . . 0.0 118.119 178.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -78.51 120.69 4.9 Favored 'Trans proline' 0 C--N 1.366 1.465 0 N-CA-C 105.93 -2.373 . . . . 0.0 105.93 175.237 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . 0.416 HG23 ' CE1' ' A' ' 52' ' ' TYR . 2.3 t -65.7 139.09 96.88 Favored Pre-proline 0 CA--C 1.546 0.801 0 CA-C-N 111.683 -2.508 . . . . 0.0 110.848 -177.311 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 26.0 Cg_exo -60.99 159.93 27.76 Favored 'Trans proline' 0 C--N 1.362 1.275 0 O-C-N 123.216 1.114 . . . . 0.0 112.421 178.195 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -76.39 110.52 3.08 Favored 'Trans proline' 0 CA--C 1.542 0.891 0 N-CA-C 107.777 -1.663 . . . . 0.0 107.777 176.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 3.4 tmt_? -65.45 142.51 58.14 Favored 'General case' 0 C--N 1.35 0.625 0 CA-C-N 114.079 -1.419 . . . . 0.0 108.529 -179.506 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 72.81 30.53 1.74 Allowed 'General case' 0 CA--C 1.547 0.843 0 CA-C-N 113.166 -1.834 . . . . 0.0 110.424 -176.828 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 43.3 mmm-85 46.0 70.03 0.41 Allowed 'General case' 0 C--N 1.349 0.557 0 CA-C-N 112.06 -2.336 . . . . 0.0 112.135 178.502 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 -0.125 0 CA-C-N 109.995 -3.275 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.6 tpt . . . . . 0 N--CA 1.446 -0.644 0 N-CA-C 106.238 -1.764 . . . . 0.0 106.238 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -76.92 151.29 35.81 Favored 'General case' 0 C--N 1.355 0.818 0 N-CA-C 105.995 -1.854 . . . . 0.0 105.995 178.351 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.422 ' CB ' ' HB2' ' A' ' 25' ' ' LEU . . . -141.78 133.76 27.46 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-N 112.723 -2.035 . . . . 0.0 106.67 179.571 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 61.4 mt -142.07 122.8 11.72 Favored 'Isoleucine or valine' 0 C--N 1.351 0.648 0 CA-C-O 121.915 0.864 . . . . 0.0 109.987 -176.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -67.34 121.63 16.14 Favored 'General case' 0 CA--C 1.551 1.007 0 CA-C-N 112.995 -1.911 . . . . 0.0 111.591 178.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 35.1 mtmt -88.33 -22.28 23.93 Favored 'General case' 0 C--N 1.346 0.451 0 CA-C-N 113.404 -1.725 . . . . 0.0 110.185 178.189 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -138.61 168.91 18.76 Favored 'General case' 0 C--N 1.347 0.484 0 CA-C-N 112.807 -1.997 . . . . 0.0 109.491 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -92.81 126.75 38.04 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 111.072 -2.786 . . . . 0.0 106.333 178.751 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 35.6 t80 -140.25 154.37 46.84 Favored 'General case' 0 C--N 1.344 0.342 0 CA-C-N 112.515 -2.13 . . . . 0.0 111.13 -178.53 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 32.9 mmtp -132.91 128.69 37.1 Favored 'General case' 0 C--O 1.224 -0.265 0 CA-C-N 110.559 -3.018 . . . . 0.0 107.51 177.535 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -51.89 156.66 1.43 Allowed 'General case' 0 C--N 1.354 0.761 0 O-C-N 125.672 1.857 . . . . 0.0 113.329 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.409 ' HG1' ' CD ' ' A' ' 16' ' ' GLU . 26.9 p -109.14 -12.15 14.84 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 109.676 -3.42 . . . . 0.0 111.527 179.586 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -151.16 167.07 28.89 Favored 'General case' 0 C--N 1.349 0.582 0 CA-C-N 112.95 -1.932 . . . . 0.0 111.465 -177.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -67.83 -22.45 65.15 Favored 'General case' 0 CA--C 1.554 1.098 0 CA-C-N 109.727 -3.397 . . . . 0.0 112.832 -179.652 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -89.6 -16.58 30.25 Favored 'General case' 0 C--N 1.357 0.929 0 CA-C-N 115.113 -0.949 . . . . 0.0 111.428 179.377 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.409 ' CD ' ' HG1' ' A' ' 12' ' ' THR . 32.4 mt-10 -100.57 157.41 16.68 Favored 'General case' 0 C--N 1.349 0.573 0 CA-C-N 113.074 -1.875 . . . . 0.0 108.355 179.347 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . 0.278 4.1 pp -135.71 157.99 45.51 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 112.977 -1.92 . . . . 0.0 110.675 177.42 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 51.0 m -85.86 162.24 18.71 Favored 'General case' 0 N--CA 1.445 -0.689 0 CA-C-N 109.486 -3.506 . . . . 0.0 111.979 -176.742 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.41 ' HB3' ' CD1' ' A' ' 41' ' ' LEU . 29.7 p90 -160.06 153.89 22.87 Favored 'General case' 0 C--N 1.345 0.408 0 CA-C-N 110.159 -3.2 . . . . 0.0 107.986 177.552 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 32.4 mttt -107.86 139.01 43.09 Favored 'General case' 0 N--CA 1.446 -0.629 0 CA-C-N 111.462 -2.608 . . . . 0.0 105.666 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 4.6 tmt_? -46.18 101.3 0.02 OUTLIER 'General case' 0 CA--C 1.554 1.122 0 O-C-N 124.862 1.351 . . . . 0.0 111.941 177.749 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 115.7 12.72 9.23 Favored Glycine 0 C--N 1.352 1.466 0 CA-C-N 113.458 -1.701 . . . . 0.0 115.137 179.31 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 56.6 m-20 -73.02 161.09 31.09 Favored 'General case' 0 C--N 1.363 1.183 0 C-N-CA 117.742 -1.583 . . . . 0.0 109.7 179.042 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 88.8 mt -103.04 109.17 26.07 Favored 'Isoleucine or valine' 0 C--N 1.351 0.645 0 N-CA-C 104.565 -2.383 . . . . 0.0 104.565 177.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.422 ' HB2' ' CB ' ' A' ' 3' ' ' ALA . 3.9 mp -106.94 164.81 11.82 Favored 'General case' 0 C--N 1.348 0.53 0 CA-C-N 112.894 -1.957 . . . . 0.0 109.373 -177.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 28.6 mtpt -133.19 105.81 7.22 Favored 'General case' 0 C--O 1.218 -0.556 0 CA-C-N 110.8 -2.909 . . . . 0.0 110.815 178.713 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.9 t -88.46 108.79 19.15 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.628 0 N-CA-C 104.804 -2.295 . . . . 0.0 104.804 -179.083 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 67.7 tp -90.26 -33.91 15.96 Favored 'General case' 0 N--CA 1.446 -0.625 1 CA-C-N 108.055 -4.157 . . . . 0.0 109.611 -177.393 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 5.6 p30 -162.44 178.38 8.68 Favored 'General case' 0 C--N 1.348 0.526 0 CA-C-N 113.094 -1.866 . . . . 0.0 109.383 179.77 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -160.56 135.42 7.64 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 110.648 -2.978 . . . . 0.0 104.475 178.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . 0.286 11.4 pt-20 -102.34 -139.93 0.35 Allowed 'General case' 0 C--N 1.349 0.545 0 CA-C-O 122.584 1.183 . . . . 0.0 110.948 -178.074 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 31.4 p -59.87 -35.95 75.89 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-N 111.694 -2.503 . . . . 0.0 112.263 -179.011 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -77.23 122.4 25.01 Favored 'General case' 0 C--N 1.353 0.758 0 O-C-N 124.71 1.256 . . . . 0.0 111.758 -178.862 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 19.3 tt0 -105.94 60.61 0.66 Allowed 'General case' 0 N--CA 1.438 -1.047 0 N-CA-C 102.418 -3.179 . . . . 0.0 102.418 176.695 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -169.2 -22.74 0.02 OUTLIER 'General case' 0 N--CA 1.444 -0.767 0 CA-C-N 110.412 -3.086 . . . . 0.0 109.862 -176.351 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 56.8 m95 -138.32 137.24 37.2 Favored 'General case' 0 C--N 1.362 1.137 0 O-C-N 123.854 0.722 . . . . 0.0 110.119 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -112.82 148.54 34.64 Favored 'General case' 0 C--N 1.349 0.554 0 CA-C-N 114.327 -1.306 . . . . 0.0 108.559 178.544 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 76.6 tttt -102.03 93.53 5.3 Favored 'General case' 0 CA--C 1.538 0.498 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 177.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -105.31 -174.21 2.48 Favored 'General case' 0 C--N 1.356 0.867 0 CA-C-N 112.894 -1.957 . . . . 0.0 111.915 -177.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 6.7 tm-20 -130.08 134.54 47.43 Favored 'General case' 0 C--N 1.36 1.046 0 CA-C-N 114.081 -1.418 . . . . 0.0 109.922 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.41 ' CD1' ' HB3' ' A' ' 19' ' ' PHE 0.301 12.4 mt -161.06 141.83 11.38 Favored 'General case' 0 CA--C 1.508 -0.64 0 CA-C-N 111.789 -2.46 . . . . 0.0 112.515 177.549 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 54.24 38.53 29.48 Favored 'General case' 0 CA--C 1.546 0.791 0 CA-C-N 109.336 -3.575 . . . . 0.0 114.618 171.102 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 72.77 19.1 79.16 Favored Glycine 0 CA--C 1.538 1.498 0 CA-C-N 113.06 -1.882 . . . . 0.0 113.816 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 65.4 mttp -134.8 171.14 14.8 Favored 'General case' 0 C--N 1.354 0.761 0 N-CA-C 107.868 -1.16 . . . . 0.0 107.868 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -140.91 139.5 34.36 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 113.172 -1.831 . . . . 0.0 106.651 179.231 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -177.83 177.23 48.33 Favored Glycine 0 C--N 1.346 1.124 0 C-N-CA 117.007 -2.521 . . . . 0.0 111.993 -177.331 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -79.85 139.63 37.1 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 111.691 -2.254 . . . . 0.0 110.237 -179.619 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -139.66 141.03 26.68 Favored Pre-proline 0 CA--C 1.54 0.59 0 CA-C-N 112.146 -2.297 . . . . 0.0 107.165 -179.69 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 11.4 Cg_endo -71.8 133.27 21.56 Favored 'Trans proline' 0 C--N 1.363 1.29 0 C-N-CA 121.715 1.61 . . . . 0.0 112.915 -179.173 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 17.5 pttp -72.49 -15.57 61.8 Favored 'General case' 0 CA--C 1.551 1.007 0 C-N-CA 116.603 -2.039 . . . . 0.0 113.91 -179.343 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . 0.311 0.6 OUTLIER -81.57 -8.83 59.77 Favored 'General case' 0 C--N 1.363 1.156 0 C-N-CA 117.726 -1.59 . . . . 0.0 111.74 177.814 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -94.82 -9.5 34.25 Favored 'General case' 0 C--N 1.353 0.753 0 C-N-CA 119.628 -0.829 . . . . 0.0 111.754 177.498 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -131.45 161.21 41.57 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.218 0 CA-C-O 123.05 1.405 . . . . 0.0 112.849 -179.366 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 62.6 tt0 -106.94 132.99 52.26 Favored 'General case' 0 CA--C 1.547 0.832 0 CA-C-N 111.059 -2.792 . . . . 0.0 103.932 174.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 37.0 mtm -84.48 -79.68 0.21 Allowed 'General case' 0 C--N 1.348 0.522 0 CA-C-O 123.823 1.773 . . . . 0.0 113.571 -176.292 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 7.0 mmmm 65.81 98.19 0.04 OUTLIER Pre-proline 0 CA--C 1.555 1.163 0 CA-C-N 108.796 -3.82 . . . . 0.0 109.26 -177.615 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 34.3 Cg_exo . . . . . 0 C--N 1.366 1.452 0 C-N-CA 121.654 1.569 . . . . 0.0 113.819 178.387 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.222 -0.368 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 7.5 p -69.41 119.14 68.6 Favored Pre-proline 0 CA--C 1.551 0.993 0 O-C-N 125.179 1.55 . . . . 0.0 108.144 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . 0.279 52.3 Cg_exo -48.37 129.21 18.98 Favored 'Trans proline' 0 CA--C 1.579 2.754 0 N-CA-C 115.956 1.483 . . . . 0.0 115.956 -179.043 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 69.7 Cg_exo -43.1 162.14 0.05 OUTLIER 'Trans proline' 0 C--N 1.381 2.265 1 C-N-CA 126.708 4.939 . . . . 0.0 119.96 -177.297 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_endo -74.98 111.6 3.37 Favored 'Trans proline' 0 C--N 1.358 1.067 0 N-CA-C 106.728 -2.066 . . . . 0.0 106.728 175.424 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 2.1 t -62.43 137.75 96.25 Favored Pre-proline 0 CA--C 1.552 1.048 0 CA-C-N 111.408 -2.633 . . . . 0.0 109.808 -178.365 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_exo -60.29 162.71 16.45 Favored 'Trans proline' 0 C--N 1.365 1.437 0 C-N-CA 121.109 1.206 . . . . 0.0 114.978 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_endo -83.84 111.74 1.73 Allowed 'Trans proline' 0 CA--C 1.55 1.289 0 N-CA-C 108.861 -1.246 . . . . 0.0 108.861 176.102 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -83.1 123.46 29.53 Favored 'General case' 0 C--N 1.351 0.636 0 N-CA-C 107.13 -1.433 . . . . 0.0 107.13 178.289 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 79.5 mtm180 133.78 85.32 0.0 OUTLIER 'General case' 0 C--N 1.351 0.663 0 C-N-CA 130.966 3.706 . . . . 0.0 105.562 -178.295 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 28.5 tpt85 -79.86 -3.89 49.87 Favored 'General case' 0 CA--C 1.545 0.782 0 CA-C-N 112.574 -2.103 . . . . 0.0 112.982 -178.509 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.164 0 CA-C-N 114.603 -1.18 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.6 ttt . . . . . 0 N--CA 1.445 -0.72 0 N-CA-C 104.582 -2.377 . . . . 0.0 104.582 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -70.6 111.94 6.48 Favored 'General case' 0 C--N 1.357 0.911 0 CA-C-O 123.772 1.748 . . . . 0.0 109.003 -178.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -100.41 141.95 32.56 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 110.29 -3.141 . . . . 0.0 106.623 -179.315 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 89.8 mt -136.93 109.77 7.83 Favored 'Isoleucine or valine' 0 C--N 1.345 0.399 0 CA-C-N 113.23 -1.804 . . . . 0.0 109.301 -176.386 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -66.82 122.21 17.19 Favored 'General case' 0 CA--C 1.542 0.661 0 CA-C-N 113.298 -1.774 . . . . 0.0 107.626 177.248 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 30.1 mtmt -87.16 -40.45 14.6 Favored 'General case' 0 C--O 1.222 -0.344 0 CA-C-N 114.547 -1.206 . . . . 0.0 110.241 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -107.48 168.05 9.51 Favored 'General case' 0 C--N 1.345 0.378 0 CA-C-N 112.486 -2.143 . . . . 0.0 109.79 -178.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 11.3 p-10 -96.19 128.26 42.94 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 110.554 -3.021 . . . . 0.0 105.392 178.564 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 21.0 t80 -138.74 150.47 46.17 Favored 'General case' 0 N--CA 1.446 -0.627 0 CA-C-N 112.926 -1.943 . . . . 0.0 109.267 -178.641 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 35.8 tptt -129.34 118.75 22.75 Favored 'General case' 0 N--CA 1.439 -0.987 0 CA-C-N 110.634 -2.985 . . . . 0.0 107.844 179.229 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -52.52 150.75 4.69 Favored 'General case' 0 C--N 1.356 0.854 0 CA-C-O 122.713 1.244 . . . . 0.0 113.439 178.714 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -119.4 7.92 11.29 Favored 'General case' 0 CA--C 1.545 0.761 0 CA-C-N 111.111 -2.768 . . . . 0.0 110.275 179.095 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -152.3 160.55 43.32 Favored 'General case' 0 C--N 1.354 0.782 0 CA-C-N 114.226 -1.352 . . . . 0.0 109.297 -179.441 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -68.94 -21.2 64.21 Favored 'General case' 0 CA--C 1.551 0.993 0 CA-C-N 112.033 -2.349 . . . . 0.0 113.649 -178.321 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -89.04 -18.37 27.46 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 113.648 -1.615 . . . . 0.0 112.345 -179.573 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -99.83 157.02 16.8 Favored 'General case' 0 CA--C 1.541 0.617 0 CA-C-N 113.208 -1.815 . . . . 0.0 109.643 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . 0.318 3.4 pp -137.19 158.08 45.24 Favored 'General case' 0 N--CA 1.475 0.778 0 CA-C-N 112.532 -2.122 . . . . 0.0 110.766 176.544 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 32.1 m -86.2 161.94 18.57 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 109.585 -3.461 . . . . 0.0 112.668 -175.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 23.9 p90 -160.85 164.08 31.59 Favored 'General case' 0 CA--C 1.543 0.692 0 CA-C-N 111.1 -2.773 . . . . 0.0 108.457 178.035 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 26.6 pttt -134.48 103.08 5.55 Favored 'General case' 0 C--N 1.353 0.734 0 CA-C-N 114.105 -1.407 . . . . 0.0 112.125 -178.218 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 3.78 54.95 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 130.575 3.55 . . . . 0.0 118.407 178.697 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 161.81 -0.31 0.06 OUTLIER Glycine 0 CA--C 1.526 0.733 0 CA-C-N 111.736 -2.483 . . . . 0.0 113.876 179.704 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 -75.38 146.01 41.17 Favored 'General case' 0 C--N 1.358 0.958 0 C-N-CA 116.445 -2.102 . . . . 0.0 108.625 179.278 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 90.1 mt -99.8 127.04 53.06 Favored 'Isoleucine or valine' 0 C--N 1.343 0.323 0 N-CA-C 105.307 -2.109 . . . . 0.0 105.307 179.086 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -102.74 176.64 5.1 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 112.942 -1.935 . . . . 0.0 109.186 -178.733 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 13.0 ttpt -128.35 107.81 10.06 Favored 'General case' 0 C--O 1.218 -0.597 0 CA-C-N 109.774 -3.375 . . . . 0.0 108.562 -179.606 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 42.7 t -87.46 111.36 21.81 Favored 'Isoleucine or valine' 0 C--N 1.344 0.351 0 CA-C-O 123.791 1.758 . . . . 0.0 107.592 -176.71 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 55.3 tp -92.42 -40.75 10.69 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 108.969 -3.741 . . . . 0.0 111.34 -178.462 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 59.2 t30 -159.6 147.32 17.1 Favored 'General case' 0 C--N 1.358 0.949 0 C-N-CA 118.742 -1.183 . . . . 0.0 111.172 -179.013 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -147.68 105.62 3.72 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 112.556 -2.111 . . . . 0.0 107.346 178.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -172.58 34.02 0.01 OUTLIER 'General case' 0 C--N 1.35 0.616 0 CA-C-N 112.463 -2.153 . . . . 0.0 109.911 -178.762 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 96.5 m -112.34 -73.93 0.65 Allowed 'General case' 0 C--N 1.346 0.428 0 CA-C-N 112.785 -2.007 . . . . 0.0 108.934 -179.349 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 58.4 t0 -143.6 145.42 32.49 Favored 'General case' 0 C--N 1.344 0.33 0 CA-C-N 113.173 -1.831 . . . . 0.0 107.735 -179.032 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -84.96 58.97 5.32 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 112.029 -2.35 . . . . 0.0 109.126 -179.667 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 47.0 m-20 -173.57 -22.98 0.01 OUTLIER 'General case' 0 N--CA 1.444 -0.735 0 CA-C-N 110.252 -3.158 . . . . 0.0 109.643 -177.128 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 79.9 m95 -137.01 123.7 21.12 Favored 'General case' 0 C--N 1.36 1.054 0 CA-C-O 122.605 1.193 . . . . 0.0 111.376 -178.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 16.3 m-85 -106.08 147.82 28.49 Favored 'General case' 0 C--O 1.221 -0.413 0 CA-C-N 111.605 -2.543 . . . . 0.0 109.87 179.332 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 37.6 ttmt -102.31 102.12 12.45 Favored 'General case' 0 C--N 1.35 0.613 0 N-CA-C 106.475 -1.676 . . . . 0.0 106.475 177.752 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -116.83 -170.66 1.87 Allowed 'General case' 0 C--N 1.354 0.798 0 CA-C-N 113.658 -1.61 . . . . 0.0 110.123 -178.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -135.62 145.36 46.78 Favored 'General case' 0 C--N 1.357 0.912 0 CA-C-O 122.6 1.191 . . . . 0.0 113.171 -178.171 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . 0.306 8.4 mt -161.27 133.43 5.86 Favored 'General case' 0 C--N 1.349 0.581 0 CA-C-N 110.888 -2.869 . . . . 0.0 112.952 177.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 57.01 32.43 21.65 Favored 'General case' 0 CA--C 1.546 0.822 0 CA-C-N 112.357 -2.201 . . . . 0.0 114.768 170.851 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 73.74 18.02 79.4 Favored Glycine 0 CA--C 1.538 1.511 0 CA-C-N 113.745 -1.57 . . . . 0.0 113.732 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -134.8 128.24 32.4 Favored 'General case' 0 C--N 1.354 0.8 0 N-CA-C 107.779 -1.193 . . . . 0.0 107.779 179.587 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -99.85 147.67 25.26 Favored 'General case' 0 CA--C 1.547 0.853 0 CA-C-N 113.399 -1.728 . . . . 0.0 107.27 178.637 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -176.57 172.71 45.68 Favored Glycine 0 C--N 1.343 0.928 0 C-N-CA 118.539 -1.791 . . . . 0.0 112.968 -178.224 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 93.9 m-85 -79.91 137.18 36.83 Favored 'General case' 0 C--N 1.351 0.644 0 CA-C-N 112.132 -2.034 . . . . 0.0 110.89 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 44.6 pt -136.23 137.2 23.97 Favored Pre-proline 0 CA--C 1.544 0.714 0 CA-C-N 112.205 -2.271 . . . . 0.0 106.809 179.722 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 4.4 Cg_exo -69.2 144.89 58.58 Favored 'Trans proline' 0 C--N 1.365 1.414 0 C-N-CA 121.168 1.246 . . . . 0.0 113.179 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 44.8 mtmt -71.21 -32.12 68.44 Favored 'General case' 0 C--N 1.358 0.957 0 C-N-CA 116.6 -2.04 . . . . 0.0 112.218 179.451 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . 0.309 1.0 OUTLIER -72.32 -7.74 51.13 Favored 'General case' 0 C--N 1.358 0.963 0 C-N-CA 118.436 -1.306 . . . . 0.0 113.835 -179.606 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -94.98 -3.9 47.64 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 119.367 -0.933 . . . . 0.0 112.539 177.759 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.411 ' CG1' ' N ' ' A' ' 54' ' ' GLU . 0.1 OUTLIER -128.88 168.02 22.99 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.898 0 CA-C-O 122.807 1.289 . . . . 0.0 109.919 179.656 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.411 ' N ' ' CG1' ' A' ' 53' ' ' ILE . 8.3 tp10 -127.98 119.36 25.33 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 111.061 -2.79 . . . . 0.0 104.966 176.841 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 5.2 mpp? -88.73 155.21 19.71 Favored 'General case' 0 C--N 1.349 0.559 0 CA-C-O 123.33 1.538 . . . . 0.0 112.176 -178.105 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 45.2 mtpt -155.27 98.29 2.36 Favored Pre-proline 0 CA--C 1.551 1.017 0 CA-C-N 109.888 -3.324 . . . . 0.0 108.846 179.705 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_endo . . . . . 0 CA--C 1.549 1.272 0 C-N-CA 120.405 0.736 . . . . 0.0 110.712 177.204 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.222 -0.365 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 5.6 p -58.38 115.67 12.31 Favored Pre-proline 0 CA--C 1.551 0.983 0 O-C-N 125.095 1.497 . . . . 0.0 109.24 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . 0.252 51.4 Cg_exo -48.9 125.75 13.62 Favored 'Trans proline' 0 CA--C 1.573 2.45 0 N-CA-C 115.535 1.321 . . . . 0.0 115.535 -179.352 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_exo -42.76 164.14 0.04 OUTLIER 'Trans proline' 0 C--N 1.379 2.167 1 C-N-CA 126.095 4.53 . . . . 0.0 119.454 -177.216 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_endo -76.47 112.15 3.4 Favored 'Trans proline' 0 C--N 1.36 1.144 0 N-CA-C 105.743 -2.445 . . . . 0.0 105.743 174.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 2.0 t -65.7 139.75 97.13 Favored Pre-proline 0 CA--C 1.547 0.858 0 CA-C-N 110.914 -2.857 . . . . 0.0 109.486 -178.443 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_exo -58.95 158.98 22.9 Favored 'Trans proline' 0 C--N 1.364 1.345 0 C-N-CA 120.651 0.9 . . . . 0.0 112.528 178.573 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_endo -75.28 112.37 3.53 Favored 'Trans proline' 0 CA--C 1.542 0.901 0 N-CA-C 108.763 -1.284 . . . . 0.0 108.763 177.28 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 58.5 ttp85 -87.63 105.81 17.59 Favored 'General case' 0 C--N 1.351 0.667 0 CA-C-N 114.268 -1.333 . . . . 0.0 107.572 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 35.7 mmt180 -147.45 53.74 1.06 Allowed 'General case' 0 N--CA 1.444 -0.748 0 CA-C-N 111.997 -2.365 . . . . 0.0 108.051 -179.441 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 11.5 tpt180 -79.73 95.72 6.05 Favored 'General case' 0 C--N 1.35 0.623 0 CA-C-N 113.284 -1.78 . . . . 0.0 109.385 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.341 0.204 0 CA-C-N 113.746 -1.57 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 49.5 ttm . . . . . 0 N--CA 1.44 -0.962 0 N-CA-C 106.686 -1.598 . . . . 0.0 106.686 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -76.11 99.17 4.57 Favored 'General case' 0 C--N 1.351 0.643 0 CA-C-N 111.406 -2.634 . . . . 0.0 107.898 179.637 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -99.93 141.36 32.85 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 111.992 -2.367 . . . . 0.0 106.63 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 70.3 mt -144.89 103.27 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.349 0.585 0 O-C-N 125.31 1.631 . . . . 0.0 110.044 -176.683 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -67.25 125.37 25.85 Favored 'General case' 0 CA--C 1.544 0.748 0 CA-C-N 113.678 -1.601 . . . . 0.0 108.016 176.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.28 -36.43 16.69 Favored 'General case' 0 C--N 1.355 0.815 0 C-N-CA 117.481 -1.687 . . . . 0.0 110.415 -179.585 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 58.6 m-85 -100.55 170.58 8.28 Favored 'General case' 0 C--N 1.343 0.319 0 CA-C-N 112.538 -2.119 . . . . 0.0 109.407 -177.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -97.05 135.83 38.48 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 112.08 -2.327 . . . . 0.0 107.015 178.636 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 12.0 t80 -136.98 152.56 50.29 Favored 'General case' 0 C--N 1.352 0.715 0 CA-C-O 124.951 2.31 . . . . 0.0 112.013 -178.505 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.64 101.51 5.14 Favored 'General case' 0 N--CA 1.442 -0.858 1 CA-C-N 108.043 -4.162 . . . . 0.0 106.556 179.352 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -52.56 166.44 0.19 Allowed 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 112.575 -2.102 . . . . 0.0 113.032 179.338 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 45.1 p -94.26 -31.85 13.91 Favored 'General case' 0 CA--C 1.543 0.681 0 CA-C-N 108.52 -3.946 . . . . 0.0 105.475 176.557 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 59.63 88.8 0.07 Allowed 'General case' 0 C--N 1.355 0.831 0 CA-C-N 110.364 -3.107 . . . . 0.0 113.62 177.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -137.0 24.63 3.03 Favored 'General case' 0 N--CA 1.436 -1.17 1 CA-C-N 106.797 -4.729 . . . . 0.0 107.029 178.218 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . 0.37 3.8 p-10 117.09 19.94 0.0 OUTLIER 'General case' 0 C--N 1.364 1.214 1 C-N-CA 131.734 4.014 . . . . 0.0 113.142 -179.323 . . . . . . . . 3 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -102.52 165.5 11.06 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 111.995 -2.366 . . . . 0.0 111.044 178.362 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . 0.368 0.0 OUTLIER -137.54 159.37 42.13 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-N 111.197 -2.729 . . . . 0.0 111.103 174.655 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 23.9 m -87.45 164.31 16.25 Favored 'General case' 0 CA--C 1.542 0.652 0 CA-C-N 109.95 -3.296 . . . . 0.0 112.616 -178.02 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 18.2 p90 -161.44 161.69 30.29 Favored 'General case' 0 C--N 1.349 0.573 0 CA-C-N 110.726 -2.943 . . . . 0.0 108.177 178.621 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -135.5 108.8 7.79 Favored 'General case' 0 C--N 1.348 0.532 0 O-C-N 124.304 1.002 . . . . 0.0 109.496 179.674 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 2.2 tmt_? 3.44 95.31 0.01 OUTLIER 'General case' 0 CA--C 1.551 1.015 0 C-N-CA 127.092 2.157 . . . . 0.0 114.681 179.566 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 121.03 8.58 7.88 Favored Glycine 0 CA--C 1.535 1.339 0 CA-C-N 113.061 -1.882 . . . . 0.0 115.013 179.039 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -76.5 139.38 40.77 Favored 'General case' 0 C--N 1.357 0.928 0 C-N-CA 118.354 -1.338 . . . . 0.0 109.753 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 77.8 mt -102.61 119.67 51.3 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.471 0 CA-C-N 112.389 -2.187 . . . . 0.0 105.731 178.549 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.9 mp -107.15 164.3 12.28 Favored 'General case' 0 C--N 1.349 0.586 0 CA-C-O 124.056 1.884 . . . . 0.0 111.961 -177.721 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 17.5 mmmt -107.69 105.73 15.73 Favored 'General case' 0 C--O 1.214 -0.786 0 CA-C-N 108.541 -3.936 . . . . 0.0 108.216 178.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 9.2 t -87.12 121.99 38.49 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 C-N-CA 114.398 -2.921 . . . . 0.0 108.967 -175.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 35.7 tp -92.13 -51.1 5.34 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 109.534 -3.484 . . . . 0.0 111.189 -178.018 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 67.4 t30 -159.71 140.13 12.01 Favored 'General case' 0 C--N 1.359 0.995 0 C-N-CA 118.049 -1.46 . . . . 0.0 112.267 -179.44 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -160.33 106.63 1.54 Allowed 'General case' 0 C--N 1.351 0.663 0 CA-C-N 112.579 -2.101 . . . . 0.0 107.185 178.409 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 19.6 pt-20 -170.82 38.54 0.02 OUTLIER 'General case' 0 C--N 1.355 0.823 0 CA-C-N 114.779 -1.1 . . . . 0.0 111.94 -178.153 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 99.5 m -139.9 -78.72 0.31 Allowed 'General case' 0 C--N 1.344 0.329 0 CA-C-N 114.066 -1.425 . . . . 0.0 108.547 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -88.48 149.43 23.66 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 112.925 -1.943 . . . . 0.0 107.544 179.087 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 3.5 pp0? -112.98 62.85 0.63 Allowed 'General case' 0 C--O 1.222 -0.389 0 CA-C-N 112.575 -2.102 . . . . 0.0 108.934 -179.181 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 29.3 m-20 -170.45 -17.51 0.01 OUTLIER 'General case' 0 N--CA 1.447 -0.601 0 CA-C-N 110.677 -2.965 . . . . 0.0 112.026 -178.15 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 56.3 m95 -137.97 128.77 26.93 Favored 'General case' 0 CA--C 1.554 1.104 0 CA-C-O 122.959 1.362 . . . . 0.0 111.713 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.424 ' OH ' ' SD ' ' A' ' 55' ' ' MET . 21.4 m-85 -110.7 135.56 51.11 Favored 'General case' 0 C--O 1.221 -0.411 0 CA-C-N 112.574 -2.103 . . . . 0.0 108.27 178.808 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 38.0 ttpt -100.36 110.68 22.9 Favored 'General case' 0 C--N 1.35 0.608 0 N-CA-C 106.292 -1.744 . . . . 0.0 106.292 178.376 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -132.37 163.39 28.81 Favored 'General case' 0 C--N 1.353 0.734 0 CA-C-N 114.231 -1.35 . . . . 0.0 108.281 -178.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -104.09 138.19 40.96 Favored 'General case' 0 C--N 1.352 0.688 0 O-C-N 124.885 1.366 . . . . 0.0 110.077 -176.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . 0.37 12.5 mt -159.3 132.83 7.25 Favored 'General case' 0 CA--C 1.496 -1.097 0 CA-C-N 110.817 -2.901 . . . . 0.0 111.998 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 56.47 32.11 20.12 Favored 'General case' 0 CA--C 1.548 0.893 0 CA-C-N 110.967 -2.833 . . . . 0.0 112.498 171.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 73.79 23.34 76.79 Favored Glycine 0 C--N 1.354 1.56 0 CA-C-N 112.439 -2.164 . . . . 0.0 113.447 -179.425 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -135.16 116.03 14.06 Favored 'General case' 0 C--N 1.355 0.811 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 -179.566 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -95.82 128.39 42.66 Favored 'General case' 0 CA--C 1.539 0.543 0 N-CA-C 103.809 -2.663 . . . . 0.0 103.809 177.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -174.87 172.37 45.4 Favored Glycine 0 C--N 1.341 0.806 0 CA-C-N 114.079 -1.418 . . . . 0.0 111.547 -176.244 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 76.3 m-85 -79.57 144.76 33.58 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 112.082 -2.059 . . . . 0.0 112.089 -178.631 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 6.1 pt -141.67 148.21 48.86 Favored Pre-proline 0 CA--C 1.542 0.643 0 CA-C-N 112.099 -2.319 . . . . 0.0 107.046 178.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 4.3 Cg_endo -68.33 142.66 55.57 Favored 'Trans proline' 0 C--N 1.357 1.012 0 C-N-CA 121.606 1.537 . . . . 0.0 114.253 -179.477 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 26.0 mtmt -71.91 -26.3 62.25 Favored 'General case' 0 C--N 1.366 1.311 0 C-N-CA 116.63 -2.028 . . . . 0.0 111.1 179.095 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -68.96 -18.81 64.13 Favored 'General case' 0 C--N 1.361 1.089 0 C-N-CA 118.478 -1.289 . . . . 0.0 111.76 -179.795 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 11.3 m-85 -91.91 -4.64 54.45 Favored 'General case' 0 CA--C 1.554 1.127 0 CA-C-N 113.819 -1.537 . . . . 0.0 113.396 -178.552 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -131.83 153.27 38.33 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.259 0 CA-C-O 122.276 1.036 . . . . 0.0 111.533 179.052 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -112.55 121.46 44.87 Favored 'General case' 0 C--N 1.352 0.717 0 N-CA-C 104.262 -2.495 . . . . 0.0 104.262 174.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' MET . . . . . 0.424 ' SD ' ' OH ' ' A' ' 37' ' ' TYR . 0.0 OUTLIER -89.1 161.03 16.74 Favored 'General case' 0 C--N 1.35 0.588 0 CA-C-O 122.302 1.049 . . . . 0.0 111.187 -179.47 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 32.0 mmtp -154.33 88.1 3.45 Favored Pre-proline 0 CA--C 1.55 0.96 0 CA-C-N 112.03 -2.35 . . . . 0.0 109.205 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_exo . . . . . 0 C--N 1.366 1.492 0 C-N-CA 122.148 1.899 . . . . 0.0 111.525 177.443 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.224 -0.256 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 60.7 t -125.34 88.28 54.39 Favored Pre-proline 0 CA--C 1.545 0.763 0 O-C-N 125.563 1.79 . . . . 0.0 108.715 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 67.4 Cg_exo -53.92 147.13 43.51 Favored 'Trans proline' 0 CA--C 1.563 1.946 0 C-N-CA 121.831 1.687 . . . . 0.0 115.723 179.355 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 44.7 Cg_exo -58.49 161.65 14.03 Favored 'Trans proline' 0 C--N 1.367 1.512 0 C-N-CA 124.02 3.147 . . . . 0.0 116.141 179.168 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -74.61 125.35 9.47 Favored 'Trans proline' 0 C--N 1.368 1.56 0 C-N-CA 122.435 2.09 . . . . 0.0 106.694 175.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 1.7 t -69.44 140.21 89.86 Favored Pre-proline 0 N--CA 1.45 -0.475 0 CA-C-N 111.348 -2.66 . . . . 0.0 111.98 -176.501 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_exo -61.92 161.43 25.73 Favored 'Trans proline' 0 C--N 1.364 1.36 0 O-C-N 123.326 1.172 . . . . 0.0 113.942 179.497 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -88.91 109.93 0.51 Allowed 'Trans proline' 0 CA--C 1.548 1.176 0 C-N-CA 120.897 1.065 . . . . 0.0 109.819 176.17 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 3.7 ptm85 -83.43 103.92 13.17 Favored 'General case' 0 C--N 1.353 0.75 0 N-CA-C 106.769 -1.567 . . . . 0.0 106.769 178.298 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 61.1 mtp180 -139.7 -71.25 0.39 Allowed 'General case' 0 N--CA 1.449 -0.493 0 CA-C-O 124.624 2.154 . . . . 0.0 111.35 -179.082 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 4.2 mmp_? 68.05 -80.92 0.03 OUTLIER 'General case' 0 C--N 1.316 -0.848 1 CA-C-N 106.87 -4.696 . . . . 0.0 110.427 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.59 0 CA-C-N 111.135 -2.757 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.9 ttm . . . . . 0 CA--C 1.539 0.522 0 N-CA-C 108.082 -1.081 . . . . 0.0 108.082 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -88.05 121.6 30.65 Favored 'General case' 0 C--N 1.353 0.724 0 CA-C-N 112.426 -2.17 . . . . 0.0 108.451 179.061 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -111.62 147.83 34.63 Favored 'General case' 0 C--N 1.347 0.479 0 CA-C-N 112.543 -2.117 . . . . 0.0 109.347 179.282 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 61.4 mt -145.73 109.47 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.351 0.658 0 CA-C-N 113.11 -1.859 . . . . 0.0 109.579 -177.578 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -67.3 120.06 13.19 Favored 'General case' 0 CA--C 1.544 0.723 0 CA-C-N 114.13 -1.395 . . . . 0.0 109.287 177.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 19.4 mtmt -89.36 -19.84 24.73 Favored 'General case' 0 C--N 1.344 0.356 0 CA-C-N 114.436 -1.256 . . . . 0.0 112.249 179.772 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 81.2 m-85 -140.36 167.77 21.37 Favored 'General case' 0 C--N 1.346 0.43 0 CA-C-N 113.253 -1.794 . . . . 0.0 110.223 -178.658 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 11.1 p-10 -86.06 127.01 34.59 Favored 'General case' 0 C--N 1.348 0.511 0 CA-C-N 110.866 -2.879 . . . . 0.0 107.162 179.274 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 34.4 t80 -139.65 152.76 47.02 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 112.187 -2.278 . . . . 0.0 111.698 -177.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 46.0 mttp -133.94 140.62 46.89 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-N 110.829 -2.896 . . . . 0.0 108.314 175.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -51.21 150.83 3.1 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 112.038 -2.346 . . . . 0.0 112.724 179.638 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.446 ' HG1' ' CD ' ' A' ' 16' ' ' GLU . 5.4 p -115.55 -6.17 12.22 Favored 'General case' 0 C--N 1.349 0.561 0 CA-C-N 111.844 -2.435 . . . . 0.0 111.118 179.189 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -151.55 173.28 14.8 Favored 'General case' 0 C--N 1.349 0.579 0 CA-C-N 113.106 -1.861 . . . . 0.0 110.003 -178.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -73.91 -24.84 59.75 Favored 'General case' 0 CA--C 1.551 1.016 0 CA-C-N 111.468 -2.605 . . . . 0.0 111.712 -179.464 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -86.86 -17.11 34.13 Favored 'General case' 0 C--N 1.353 0.733 0 CA-C-N 113.501 -1.682 . . . . 0.0 111.899 179.328 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.446 ' CD ' ' HG1' ' A' ' 12' ' ' THR . 35.3 mt-10 -99.12 155.22 17.57 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 113.675 -1.602 . . . . 0.0 108.917 179.753 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.5 pp -132.98 159.22 40.64 Favored 'General case' 0 N--CA 1.474 0.768 0 CA-C-N 112.886 -1.961 . . . . 0.0 111.356 178.194 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 45.7 m -86.97 156.68 19.69 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 109.809 -3.359 . . . . 0.0 111.802 -177.527 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 36.3 p90 -159.5 147.57 17.43 Favored 'General case' 0 C--O 1.219 -0.533 0 CA-C-N 111.069 -2.787 . . . . 0.0 107.699 177.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 37.2 mtmt -103.81 145.17 30.49 Favored 'General case' 0 N--CA 1.446 -0.635 0 CA-C-N 112.835 -1.984 . . . . 0.0 106.854 -179.162 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 4.5 tmt_? -46.13 100.75 0.02 OUTLIER 'General case' 0 CA--C 1.55 0.949 0 O-C-N 125.518 1.761 . . . . 0.0 111.788 178.363 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 123.96 0.75 8.97 Favored Glycine 0 C--N 1.353 1.474 0 CA-C-N 113.559 -1.655 . . . . 0.0 114.697 179.661 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 51.7 m-20 -74.58 142.31 44.67 Favored 'General case' 0 C--N 1.364 1.204 0 C-N-CA 117.647 -1.621 . . . . 0.0 109.209 179.525 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 52.1 mm -101.49 120.15 50.69 Favored 'Isoleucine or valine' 0 C--N 1.343 0.316 0 N-CA-C 104.178 -2.527 . . . . 0.0 104.178 178.291 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.9 mp -105.46 162.27 13.61 Favored 'General case' 0 C--N 1.349 0.571 0 CA-C-N 112.904 -1.953 . . . . 0.0 111.502 -176.553 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 12.0 tmtt? -105.28 100.01 9.6 Favored 'General case' 0 C--O 1.218 -0.594 0 CA-C-N 108.721 -3.854 . . . . 0.0 108.072 178.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 5.4 t -87.93 113.11 24.55 Favored 'Isoleucine or valine' 0 C--N 1.344 0.364 0 N-CA-C 105.723 -1.954 . . . . 0.0 105.723 -177.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 50.3 tp -89.29 -50.25 6.24 Favored 'General case' 0 N--CA 1.443 -0.797 0 CA-C-N 108.701 -3.863 . . . . 0.0 108.787 -177.018 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 16.7 p-10 -162.73 -162.21 0.77 Allowed 'General case' 0 CA--C 1.542 0.667 0 O-C-N 125.295 1.622 . . . . 0.0 109.385 178.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -125.89 -120.79 0.26 Allowed 'General case' 0 CA--C 1.542 0.642 0 CA-C-N 112.43 -2.168 . . . . 0.0 105.718 179.091 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 75.73 81.21 0.1 Allowed 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 113.903 -1.499 . . . . 0.0 112.089 176.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 22.7 t 178.65 -70.83 0.01 OUTLIER 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 110.631 -2.986 . . . . 0.0 106.233 179.612 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 49.8 m-20 -162.74 -176.07 4.77 Favored 'General case' 0 C--N 1.347 0.457 0 CA-C-N 111.434 -2.621 . . . . 0.0 105.254 -179.574 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -64.97 -63.14 1.18 Allowed 'General case' 0 N--CA 1.447 -0.619 0 CA-C-N 114.149 -1.387 . . . . 0.0 108.464 177.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.425 ' O ' ' HA ' ' A' ' 49' ' ' PRO . 95.5 m-20 -40.47 -15.7 0.01 OUTLIER 'General case' 0 N--CA 1.441 -0.901 1 C-N-CA 135.05 5.34 . . . . 0.0 114.587 178.367 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 80.7 m95 -138.64 118.32 13.1 Favored 'General case' 0 C--N 1.343 0.286 0 CA-C-O 123.08 1.419 . . . . 0.0 109.878 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.41 ' O ' ' HA ' ' A' ' 47' ' ' PHE . 13.0 m-85 -101.16 170.84 7.99 Favored 'General case' 0 C--O 1.217 -0.616 0 CA-C-N 110.782 -2.917 . . . . 0.0 106.65 178.706 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 11.7 ttmm -123.78 110.06 14.44 Favored 'General case' 0 N--CA 1.446 -0.628 0 N-CA-C 104.286 -2.487 . . . . 0.0 104.286 177.503 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -134.65 174.79 10.17 Favored 'General case' 0 C--N 1.351 0.631 0 CA-C-N 114.177 -1.374 . . . . 0.0 111.056 -178.381 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 9.9 tm-20 -124.54 140.87 52.54 Favored 'General case' 0 C--N 1.355 0.816 0 CA-C-N 113.592 -1.64 . . . . 0.0 108.392 -178.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . 0.37 12.4 mt -159.52 145.1 15.85 Favored 'General case' 0 CA--C 1.493 -1.232 0 CA-C-N 110.967 -2.833 . . . . 0.0 112.271 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . 0.311 1.0 OUTLIER 64.96 -73.82 0.06 Allowed 'General case' 0 N--CA 1.434 -1.258 1 CA-C-N 108.324 -4.034 . . . . 0.0 115.493 172.843 . . . . . . . . 4 3 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -164.55 20.1 0.13 Allowed Glycine 0 CA--C 1.529 0.961 0 CA-C-N 110.931 -2.85 . . . . 0.0 111.485 179.351 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -137.59 167.59 21.36 Favored 'General case' 0 C--N 1.349 0.552 0 CA-C-N 112.258 -1.971 . . . . 0.0 109.989 -179.464 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 11.9 p-10 -141.97 131.68 24.15 Favored 'General case' 0 CA--C 1.551 1.002 0 CA-C-N 111.973 -2.376 . . . . 0.0 106.063 178.053 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -176.95 -178.77 46.95 Favored Glycine 0 C--N 1.355 1.634 0 C-N-CA 117.859 -2.115 . . . . 0.0 112.783 -176.483 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.41 ' HA ' ' O ' ' A' ' 37' ' ' TYR . 96.4 m-85 -80.16 143.5 33.81 Favored 'General case' 0 C--N 1.354 0.792 0 CA-C-N 112.678 -1.761 . . . . 0.0 111.703 -179.79 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -140.58 141.66 26.1 Favored Pre-proline 0 CA--C 1.555 1.161 0 CA-C-N 112.036 -2.347 . . . . 0.0 108.693 -179.768 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.425 ' HA ' ' O ' ' A' ' 35' ' ' ASN . 6.9 Cg_endo -71.97 144.2 42.38 Favored 'Trans proline' 0 C--N 1.371 1.732 0 C-N-CA 122.078 1.852 . . . . 0.0 115.404 -178.817 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 6.0 mtpm? -70.46 -35.58 73.39 Favored 'General case' 0 C--N 1.378 1.838 0 C-N-CA 114.596 -2.842 . . . . 0.0 113.388 179.563 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . 0.354 0.7 OUTLIER -67.95 -12.2 60.27 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 117.788 -1.565 . . . . 0.0 115.081 -178.947 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -92.89 -3.63 54.26 Favored 'General case' 0 C--N 1.356 0.89 0 C-N-CA 118.531 -1.267 . . . . 0.0 112.189 177.53 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.465 ' CG1' ' N ' ' A' ' 54' ' ' GLU . 0.1 OUTLIER -130.75 174.25 13.25 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.86 0 CA-C-O 122.831 1.301 . . . . 0.0 108.751 178.555 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.465 ' N ' ' CG1' ' A' ' 53' ' ' ILE . 30.0 tt0 -131.35 114.53 15.11 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-N 111.333 -2.667 . . . . 0.0 105.194 176.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 7.2 ptt? -88.47 162.92 16.19 Favored 'General case' 0 C--N 1.352 0.675 0 CA-C-N 114.225 -1.352 . . . . 0.0 110.959 -179.314 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 52.1 mtpt -153.57 77.76 5.81 Favored Pre-proline 0 CA--C 1.555 1.144 0 CA-C-N 112.725 -2.034 . . . . 0.0 110.438 -179.188 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 C--N 1.372 1.794 0 C-N-CA 122.83 2.353 . . . . 0.0 113.295 178.778 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.225 -0.233 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 71.4 t -121.71 93.19 48.75 Favored Pre-proline 0 CA--C 1.545 0.787 0 O-C-N 125.66 1.85 . . . . 0.0 107.61 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -52.21 148.49 24.7 Favored 'Trans proline' 0 CA--C 1.563 1.974 0 C-N-CA 121.613 1.542 . . . . 0.0 115.901 -179.69 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_exo -52.39 160.57 3.4 Favored 'Trans proline' 0 C--N 1.368 1.555 0 C-N-CA 125.07 3.847 . . . . 0.0 118.466 -179.688 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -81.37 118.73 3.29 Favored 'Trans proline' 0 C--N 1.362 1.251 0 N-CA-C 105.32 -2.608 . . . . 0.0 105.32 173.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 2.3 t -58.97 139.89 87.04 Favored Pre-proline 0 CA--C 1.548 0.885 0 CA-C-N 112.033 -2.349 . . . . 0.0 110.794 -177.599 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -57.51 149.09 68.79 Favored 'Trans proline' 0 C--N 1.363 1.314 0 C-N-CA 120.938 1.092 . . . . 0.0 114.187 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -79.14 105.44 1.92 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 N-CA-C 107.776 -1.663 . . . . 0.0 107.776 177.302 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.05 127.27 33.42 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 113.053 -1.885 . . . . 0.0 108.077 -179.208 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 8.5 ttm105 95.6 77.47 0.0 OUTLIER 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 127.668 2.387 . . . . 0.0 107.368 -176.217 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 51.9 mmm-85 -32.45 -61.42 0.26 Allowed 'General case' 0 C--N 1.352 0.69 0 CA-C-N 111.114 -2.766 . . . . 0.0 113.368 -178.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 110.866 -2.879 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.1 ttm . . . . . 0 CA--C 1.543 0.708 0 N-CA-C 104.758 -2.312 . . . . 0.0 104.758 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -76.75 95.96 4.14 Favored 'General case' 0 C--N 1.365 1.281 0 CA-C-O 123.1 1.429 . . . . 0.0 108.063 -179.424 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -94.49 139.83 30.64 Favored 'General case' 0 N--CA 1.444 -0.726 0 CA-C-N 110.283 -3.144 . . . . 0.0 107.968 -174.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 84.5 mt -142.5 115.9 3.99 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.648 0 CA-C-N 111.355 -2.657 . . . . 0.0 109.481 -174.539 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -66.86 120.54 13.74 Favored 'General case' 0 CA--C 1.546 0.823 0 CA-C-N 113.329 -1.76 . . . . 0.0 108.091 177.499 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 36.4 mtmt -88.44 -18.74 27.66 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 114.74 -1.118 . . . . 0.0 112.563 -179.584 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 37.3 m-85 -139.69 168.65 19.34 Favored 'General case' 0 C--N 1.348 0.525 0 CA-C-N 113.496 -1.684 . . . . 0.0 109.754 -179.526 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -85.64 129.5 34.81 Favored 'General case' 0 C--N 1.352 0.708 0 CA-C-N 112.132 -2.304 . . . . 0.0 106.514 178.197 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 23.5 t80 -139.86 149.14 43.06 Favored 'General case' 0 C--N 1.345 0.394 0 CA-C-N 113.036 -1.893 . . . . 0.0 111.491 -179.387 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 55.3 mmtt -129.51 113.23 14.61 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 110.245 -3.161 . . . . 0.0 106.865 177.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -52.44 155.09 2.23 Favored 'General case' 0 C--N 1.348 0.508 0 CA-C-N 113.507 -1.679 . . . . 0.0 112.894 179.465 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 44.2 p -81.52 -25.51 35.89 Favored 'General case' 0 CA--C 1.549 0.926 0 CA-C-N 110.758 -2.928 . . . . 0.0 106.686 175.41 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 62.13 84.79 0.13 Allowed 'General case' 0 C--N 1.352 0.699 0 CA-C-N 110.445 -3.071 . . . . 0.0 112.128 179.27 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -133.41 17.24 4.02 Favored 'General case' 0 N--CA 1.44 -0.966 1 CA-C-N 106.67 -4.786 . . . . 0.0 107.702 178.77 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 16.8 p-10 118.56 15.45 0.0 OUTLIER 'General case' 0 C--N 1.367 1.339 0 C-N-CA 131.325 3.85 . . . . 0.0 111.238 -176.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 58.1 mt-10 -100.08 159.56 15.0 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 111.755 -2.475 . . . . 0.0 110.338 179.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . 0.397 0.0 OUTLIER -135.15 158.94 43.08 Favored 'General case' 0 N--CA 1.479 0.993 0 CA-C-N 112.171 -2.286 . . . . 0.0 111.518 176.394 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 37.8 m -86.17 161.29 18.92 Favored 'General case' 0 N--CA 1.445 -0.719 0 CA-C-N 109.563 -3.472 . . . . 0.0 111.798 -176.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 22.2 p90 -160.53 155.67 24.61 Favored 'General case' 0 C--N 1.345 0.41 0 CA-C-N 110.692 -2.958 . . . . 0.0 107.35 178.37 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 47.4 pttt -110.34 139.17 45.8 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 111.626 -2.534 . . . . 0.0 106.088 178.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 4.6 tmt_? -44.99 102.36 0.03 OUTLIER 'General case' 0 CA--C 1.551 0.981 0 O-C-N 125.408 1.693 . . . . 0.0 111.602 178.325 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 126.4 -1.84 7.63 Favored Glycine 0 C--N 1.35 1.361 0 CA-C-N 113.133 -1.849 . . . . 0.0 114.618 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -73.06 150.27 42.47 Favored 'General case' 0 C--N 1.364 1.202 0 C-N-CA 116.816 -1.954 . . . . 0.0 110.289 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 85.9 mt -103.43 118.57 50.67 Favored 'Isoleucine or valine' 0 C--N 1.347 0.466 0 N-CA-C 103.889 -2.634 . . . . 0.0 103.889 177.711 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.9 mp -112.08 174.64 5.78 Favored 'General case' 0 C--N 1.348 0.513 0 CA-C-N 113.448 -1.705 . . . . 0.0 109.233 -177.512 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 20.5 ttmt -129.95 99.59 5.15 Favored 'General case' 0 C--O 1.217 -0.651 0 CA-C-N 109.652 -3.431 . . . . 0.0 108.864 179.163 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 33.7 t -87.97 104.83 14.87 Favored 'Isoleucine or valine' 0 C--N 1.351 0.671 0 N-CA-C 102.693 -3.077 . . . . 0.0 102.693 -178.655 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.5 tt -90.43 -33.72 15.9 Favored 'General case' 0 N--CA 1.444 -0.726 1 CA-C-N 107.784 -4.28 . . . . 0.0 110.595 -175.862 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 59.6 m-20 -152.46 170.95 18.86 Favored 'General case' 0 C--N 1.351 0.673 0 CA-C-O 122.896 1.331 . . . . 0.0 109.152 178.686 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -156.18 148.47 23.48 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-N 111.185 -2.734 . . . . 0.0 106.115 179.29 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.537 ' CG ' ' H ' ' A' ' 32' ' ' CYS . 3.9 tt0 -94.87 -158.51 0.65 Allowed 'General case' 0 N--CA 1.429 -1.485 0 CA-C-O 122.922 1.344 . . . . 0.0 107.535 -179.718 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.537 ' H ' ' CG ' ' A' ' 31' ' ' GLU . 84.7 m -75.22 -27.72 59.66 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 111.703 -2.498 . . . . 0.0 111.024 -179.876 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -73.67 135.6 43.75 Favored 'General case' 0 C--N 1.351 0.648 0 CA-C-N 113.982 -1.463 . . . . 0.0 108.509 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 28.0 tt0 -114.32 77.67 1.08 Allowed 'General case' 0 N--CA 1.437 -1.097 0 N-CA-C 103.811 -2.663 . . . . 0.0 103.811 -179.501 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 31.4 m-20 -177.78 -23.45 0.01 OUTLIER 'General case' 0 N--CA 1.442 -0.861 0 CA-C-N 109.662 -3.426 . . . . 0.0 108.764 -177.217 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 62.7 m95 -139.74 130.03 25.33 Favored 'General case' 0 C--N 1.363 1.175 0 CA-C-O 122.877 1.323 . . . . 0.0 111.943 -179.033 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.449 ' OH ' ' SD ' ' A' ' 55' ' ' MET . 21.7 m-85 -104.9 177.97 4.69 Favored 'General case' 0 C--O 1.219 -0.518 0 CA-C-N 111.769 -2.469 . . . . 0.0 105.805 176.336 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -134.98 117.92 16.3 Favored 'General case' 0 CA--C 1.537 0.448 0 N-CA-C 105.697 -1.964 . . . . 0.0 105.697 178.323 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -136.05 173.83 11.28 Favored 'General case' 0 C--N 1.359 0.981 0 C-N-CA 118.109 -1.436 . . . . 0.0 111.198 -178.498 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -107.57 133.2 52.37 Favored 'General case' 0 C--N 1.355 0.831 0 O-C-N 125.676 1.86 . . . . 0.0 110.919 -178.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . 0.321 12.5 mt -161.01 133.41 6.04 Favored 'General case' 0 C--N 1.352 0.713 0 CA-C-N 112.503 -2.135 . . . . 0.0 113.494 178.008 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 55.46 33.33 20.74 Favored 'General case' 0 CA--C 1.547 0.835 0 CA-C-N 112.024 -2.353 . . . . 0.0 114.44 170.624 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 72.31 20.22 79.14 Favored Glycine 0 CA--C 1.537 1.419 0 CA-C-N 113.535 -1.666 . . . . 0.0 113.749 -179.568 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 41.9 mmtm -137.3 116.54 12.62 Favored 'General case' 0 C--N 1.356 0.86 0 N-CA-C 108.383 -0.969 . . . . 0.0 108.383 179.638 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -97.32 131.13 44.31 Favored 'General case' 0 CA--C 1.546 0.812 0 N-CA-C 104.577 -2.379 . . . . 0.0 104.577 177.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -174.34 177.79 46.4 Favored Glycine 0 C--N 1.343 0.926 0 CA-C-N 114.186 -1.37 . . . . 0.0 111.618 -176.104 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 63.2 m-85 -80.34 149.67 30.19 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 113.214 -1.493 . . . . 0.0 113.269 -178.682 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 26.7 pt -140.81 144.75 36.92 Favored Pre-proline 0 CA--C 1.555 1.146 0 CA-C-N 110.945 -2.843 . . . . 0.0 107.773 179.63 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 4.7 Cg_endo -75.55 155.94 40.49 Favored 'Trans proline' 0 C--N 1.366 1.449 0 C-N-CA 121.807 1.671 . . . . 0.0 114.475 179.259 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . 0.263 8.4 mmtt -68.73 -52.88 25.94 Favored 'General case' 0 C--N 1.353 0.731 0 CA-C-N 113.086 -1.87 . . . . 0.0 111.355 -179.105 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . 0.269 0.8 OUTLIER -67.23 -5.4 13.74 Favored 'General case' 0 CA--C 1.546 0.804 0 N-CA-C 115.239 1.57 . . . . 0.0 115.239 -179.078 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 13.5 m-85 -95.75 -12.53 25.25 Favored 'General case' 0 C--N 1.356 0.855 0 C-N-CA 117.665 -1.614 . . . . 0.0 113.76 178.415 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.522 ' CG1' ' N ' ' A' ' 54' ' ' GLU . 0.1 OUTLIER -131.43 172.6 16.01 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.429 0 CA-C-O 122.582 1.182 . . . . 0.0 112.325 -178.533 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.522 ' N ' ' CG1' ' A' ' 53' ' ' ILE . 19.3 tp10 -102.84 147.54 26.75 Favored 'General case' 0 CA--C 1.559 1.326 0 CA-C-N 111.675 -2.511 . . . . 0.0 105.054 173.543 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' MET . . . . . 0.449 ' SD ' ' OH ' ' A' ' 37' ' ' TYR . 23.9 mtm -82.42 -117.24 0.02 OUTLIER 'General case' 0 C--O 1.215 -0.712 0 N-CA-C 116.787 2.144 . . . . 0.0 116.787 -171.775 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.449 ' N ' ' CD ' ' A' ' 57' ' ' PRO . 91.7 mttt -80.87 -28.18 0.48 Allowed Pre-proline 0 CA--C 1.548 0.899 0 N-CA-C 118.28 2.696 . . . . 0.0 118.28 -176.07 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.449 ' CD ' ' N ' ' A' ' 56' ' ' LYS . 51.6 Cg_exo . . . . . 0 C--N 1.38 2.213 0 C-N-CA 122.905 2.403 . . . . 0.0 118.033 -176.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.223 -0.298 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 66.9 t -123.93 84.89 54.39 Favored Pre-proline 0 CA--C 1.542 0.671 0 O-C-N 125.673 1.858 . . . . 0.0 107.155 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_exo -45.09 134.4 11.18 Favored 'Trans proline' 0 CA--C 1.571 2.365 0 C-N-CA 121.967 1.778 . . . . 0.0 115.421 -179.474 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 41.1 Cg_exo -39.34 161.37 0.02 OUTLIER 'Trans proline' 0 C--N 1.376 2.02 1 C-N-CA 125.858 4.372 . . . . 0.0 120.925 -177.546 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -75.22 113.57 3.81 Favored 'Trans proline' 0 C--N 1.358 1.07 0 N-CA-C 106.535 -2.141 . . . . 0.0 106.535 175.216 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 2.3 t -63.31 137.13 96.99 Favored Pre-proline 0 CA--C 1.555 1.148 0 CA-C-N 111.481 -2.6 . . . . 0.0 110.058 -178.274 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 28.4 Cg_exo -61.79 160.72 27.82 Favored 'Trans proline' 0 C--N 1.363 1.296 0 N-CA-C 115.369 1.257 . . . . 0.0 115.369 -179.598 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -84.91 112.4 1.48 Allowed 'Trans proline' 0 CA--C 1.548 1.217 0 N-CA-C 108.783 -1.276 . . . . 0.0 108.783 175.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 6.7 ppt_? -73.92 170.91 14.41 Favored 'General case' 0 C--N 1.356 0.881 0 CA-C-N 114.758 -1.11 . . . . 0.0 109.964 179.66 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 31.2 ttt180 65.34 37.7 6.19 Favored 'General case' 0 C--N 1.352 0.688 0 CA-C-N 113.754 -1.566 . . . . 0.0 110.163 -177.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 12.5 tpt85 46.77 47.65 15.02 Favored 'General case' 0 N--CA 1.44 -0.966 0 CA-C-N 110.81 -2.905 . . . . 0.0 112.669 -179.505 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.343 0.292 0 CA-C-N 113.273 -1.785 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.436 ' SD ' ' CG2' ' A' ' 27' ' ' VAL . 0.0 OUTLIER . . . . . 0 CA--C 1.539 0.541 0 CA-C-O 123.092 1.425 . . . . 0.0 110.57 . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 56.3 mt-10 -76.89 115.09 16.37 Favored 'General case' 0 C--N 1.355 0.826 0 CA-C-N 110.166 -3.197 . . . . 0.0 107.579 179.012 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -101.72 143.2 31.95 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 111.85 -2.432 . . . . 0.0 107.822 -179.417 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 38.9 mm -136.43 112.2 11.92 Favored 'Isoleucine or valine' 0 C--N 1.352 0.681 0 CA-C-N 113.581 -1.645 . . . . 0.0 110.511 -176.045 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -67.82 122.23 17.69 Favored 'General case' 0 CA--C 1.551 0.989 0 CA-C-N 114.41 -1.268 . . . . 0.0 109.677 177.596 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 30.4 mtmt -88.59 -25.88 22.23 Favored 'General case' 0 C--N 1.344 0.348 0 CA-C-N 114.193 -1.367 . . . . 0.0 112.353 179.729 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -137.5 173.32 11.79 Favored 'General case' 0 C--N 1.345 0.384 0 CA-C-N 113.675 -1.602 . . . . 0.0 109.767 -178.659 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -92.06 137.27 32.5 Favored 'General case' 0 C--N 1.351 0.65 0 CA-C-N 111.833 -2.44 . . . . 0.0 107.999 -179.665 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -138.4 141.66 39.59 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 111.533 -2.576 . . . . 0.0 110.296 -179.44 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.6 54.72 1.93 Allowed 'General case' 0 CA--C 1.547 0.845 0 CA-C-N 110.599 -3.001 . . . . 0.0 113.001 -177.486 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 9.06 141.09 0.0 OUTLIER 'General case' 0 N--CA 1.498 1.926 0 C-N-CA 129.473 3.109 . . . . 0.0 117.939 -177.647 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -94.89 -10.06 32.37 Favored 'General case' 0 C--N 1.355 0.818 0 CA-C-N 112.377 -2.192 . . . . 0.0 112.33 179.721 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -153.24 173.08 16.02 Favored 'General case' 0 C--N 1.353 0.754 0 CA-C-O 123.041 1.4 . . . . 0.0 111.114 -179.273 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -63.11 -30.09 71.32 Favored 'General case' 0 CA--C 1.548 0.899 0 CA-C-N 110.369 -3.105 . . . . 0.0 113.305 -178.697 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 13.1 p-10 -75.16 -26.41 59.09 Favored 'General case' 0 CA--C 1.545 0.767 0 CA-C-N 114.19 -1.368 . . . . 0.0 111.59 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -99.95 157.22 16.69 Favored 'General case' 0 C--N 1.349 0.567 0 CA-C-N 113.279 -1.782 . . . . 0.0 110.453 -178.62 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . 0.282 3.4 pp -136.41 160.41 38.83 Favored 'General case' 0 C--N 1.344 0.332 0 CA-C-N 111.439 -2.618 . . . . 0.0 110.251 176.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 13.4 m -86.0 158.56 19.83 Favored 'General case' 0 N--CA 1.437 -1.113 0 CA-C-N 108.585 -3.916 . . . . 0.0 111.506 -176.389 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 23.2 p90 -159.47 144.36 15.45 Favored 'General case' 0 C--O 1.222 -0.378 0 CA-C-N 109.388 -3.551 . . . . 0.0 103.799 178.64 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 40.0 mtmt -105.06 145.41 30.52 Favored 'General case' 0 N--CA 1.444 -0.727 0 N-CA-C 105.149 -2.167 . . . . 0.0 105.149 179.687 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 60.7 ttt180 -46.05 115.51 1.01 Allowed 'General case' 0 CA--C 1.551 0.991 0 O-C-N 125.134 1.521 . . . . 0.0 112.266 178.328 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 109.58 0.58 30.81 Favored Glycine 0 CA--C 1.532 1.103 0 CA-C-N 111.151 -2.75 . . . . 0.0 113.863 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 55.0 m-20 -78.7 145.8 34.32 Favored 'General case' 0 C--N 1.368 1.375 0 C-N-CA 116.476 -2.09 . . . . 0.0 108.865 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 71.0 mt -101.35 127.69 54.41 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.467 0 CA-C-N 113.15 -1.841 . . . . 0.0 106.929 -179.755 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -104.98 179.79 4.17 Favored 'General case' 0 C--N 1.353 0.741 0 CA-C-N 113.627 -1.624 . . . . 0.0 110.468 -178.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.2 tmmm? -134.12 110.56 9.68 Favored 'General case' 0 C--O 1.215 -0.74 0 CA-C-N 109.761 -3.381 . . . . 0.0 108.808 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.436 ' CG2' ' SD ' ' A' ' 1' ' ' MET . 20.2 m -87.42 117.85 32.21 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.07 0 C-N-CA 115.772 -2.371 . . . . 0.0 110.911 -176.565 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 45.2 tp -90.91 -56.74 3.06 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 110.483 -3.053 . . . . 0.0 110.515 -177.393 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 77.1 m-20 -126.17 137.42 53.56 Favored 'General case' 0 C--N 1.351 0.649 0 O-C-N 125.435 1.709 . . . . 0.0 109.783 -179.655 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -144.95 75.29 1.44 Allowed 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 111.692 -2.504 . . . . 0.0 105.681 179.104 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -163.92 35.04 0.08 Allowed 'General case' 0 C--N 1.351 0.66 0 CA-C-N 111.862 -2.427 . . . . 0.0 110.886 -176.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 87.7 m -116.03 -71.81 0.72 Allowed 'General case' 0 C--N 1.348 0.522 0 CA-C-N 112.742 -2.026 . . . . 0.0 108.368 179.749 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 80.8 m-20 -133.95 154.53 51.03 Favored 'General case' 0 C--N 1.351 0.657 0 CA-C-N 113.352 -1.749 . . . . 0.0 109.56 -179.15 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -99.92 65.87 1.33 Allowed 'General case' 0 C--N 1.348 0.507 0 CA-C-N 112.308 -2.224 . . . . 0.0 107.057 178.558 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 29.5 m-20 178.67 -20.75 0.0 OUTLIER 'General case' 0 CA--C 1.545 0.756 0 CA-C-N 111.101 -2.772 . . . . 0.0 109.494 -177.726 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 75.5 m95 -137.01 126.55 25.17 Favored 'General case' 0 C--N 1.362 1.116 0 CA-C-O 122.958 1.361 . . . . 0.0 110.968 -178.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 15.5 m-85 -105.3 144.3 32.27 Favored 'General case' 0 C--O 1.219 -0.531 0 CA-C-N 111.077 -2.783 . . . . 0.0 108.957 179.234 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 81.8 tttt -103.86 109.71 21.55 Favored 'General case' 0 CA--C 1.538 0.491 0 N-CA-C 105.057 -2.201 . . . . 0.0 105.057 177.47 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -133.31 169.08 17.43 Favored 'General case' 0 C--N 1.357 0.895 0 O-C-N 124.529 1.143 . . . . 0.0 111.601 -176.444 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -105.13 147.55 27.82 Favored 'General case' 0 C--N 1.363 1.194 0 O-C-N 124.928 1.393 . . . . 0.0 111.675 -177.077 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 5.7 mt -161.22 119.0 2.34 Favored 'General case' 0 C--N 1.349 0.578 0 CA-C-N 109.709 -3.405 . . . . 0.0 113.344 178.108 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . 0.325 0.0 OUTLIER 60.07 31.24 20.52 Favored 'General case' 0 C--N 1.359 1.017 0 C-N-CA 114.109 -3.036 . . . . 0.0 117.631 172.572 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 62.75 23.38 65.29 Favored Glycine 0 CA--C 1.537 1.444 0 CA-C-N 114.197 -1.365 . . . . 0.0 112.215 -179.218 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -133.26 107.85 8.39 Favored 'General case' 0 N--CA 1.438 -1.055 0 N-CA-C 105.413 -2.069 . . . . 0.0 105.413 -179.631 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -99.52 136.09 39.96 Favored 'General case' 0 CA--C 1.558 1.26 0 CA-C-N 112.591 -2.095 . . . . 0.0 107.75 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -169.18 175.97 43.38 Favored Glycine 0 C--N 1.348 1.212 0 C-N-CA 120.125 -1.036 . . . . 0.0 112.698 -177.431 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -80.13 140.21 36.49 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 112.402 -1.899 . . . . 0.0 111.417 -179.639 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 35.3 pt -139.53 140.97 26.9 Favored Pre-proline 0 CA--C 1.544 0.737 0 CA-C-N 111.9 -2.409 . . . . 0.0 106.597 179.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 6.9 Cg_endo -72.28 146.61 45.9 Favored 'Trans proline' 0 C--N 1.361 1.212 0 C-N-CA 121.54 1.493 . . . . 0.0 113.263 -179.725 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 46.1 mtmt -71.36 -33.0 69.17 Favored 'General case' 0 C--N 1.361 1.105 0 C-N-CA 116.213 -2.195 . . . . 0.0 111.717 179.519 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . 0.309 1.6 p-10 -70.78 -10.36 59.35 Favored 'General case' 0 C--N 1.355 0.841 0 C-N-CA 118.298 -1.361 . . . . 0.0 114.12 -179.707 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -93.36 -4.55 51.32 Favored 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 118.469 -1.293 . . . . 0.0 111.505 177.112 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.455 ' CG1' ' N ' ' A' ' 54' ' ' GLU . 0.1 OUTLIER -130.17 172.52 15.74 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.178 0 CA-C-O 122.45 1.119 . . . . 0.0 110.701 179.07 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.455 ' N ' ' CG1' ' A' ' 53' ' ' ILE . 37.8 tt0 -132.22 126.02 32.52 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 128.589 2.755 . . . . 0.0 106.344 176.826 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 38.4 mtm -87.85 158.1 18.82 Favored 'General case' 0 C--N 1.351 0.662 0 CA-C-N 115.256 -0.884 . . . . 0.0 109.841 -179.606 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 92.1 mttt -154.4 78.97 5.05 Favored Pre-proline 0 CA--C 1.553 1.071 0 CA-C-N 113.878 -1.51 . . . . 0.0 109.772 -179.535 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 68.3 Cg_endo . . . . . 0 C--N 1.365 1.442 0 C-N-CA 121.806 1.671 . . . . 0.0 111.132 179.408 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.223 -0.313 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 8.1 p 8.11 78.37 0.05 OUTLIER Pre-proline 0 CA--C 1.552 1.03 1 C-N-CA 132.457 4.303 . . . . 0.0 114.368 . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -49.75 149.18 11.04 Favored 'Trans proline' 0 CA--C 1.56 1.805 0 C-N-CA 121.871 1.714 . . . . 0.0 115.811 -179.19 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_exo -52.6 159.67 4.51 Favored 'Trans proline' 0 C--N 1.367 1.526 0 C-N-CA 124.168 3.245 . . . . 0.0 116.502 179.471 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -75.25 123.24 7.6 Favored 'Trans proline' 0 C--N 1.365 1.423 0 N-CA-C 106.687 -2.082 . . . . 0.0 106.687 175.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 1.7 t -68.01 137.84 92.29 Favored Pre-proline 0 CA--C 1.543 0.68 0 CA-C-N 111.491 -2.595 . . . . 0.0 112.15 -176.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 21.7 Cg_exo -59.29 161.69 16.13 Favored 'Trans proline' 0 C--N 1.363 1.301 0 C-N-CA 121.462 1.441 . . . . 0.0 114.345 179.139 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -82.36 113.28 2.32 Favored 'Trans proline' 0 CA--C 1.547 1.132 0 C-N-CA 121.005 1.137 . . . . 0.0 109.887 176.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 1.6 ppt_? -88.09 76.89 8.46 Favored 'General case' 0 C--N 1.351 0.668 0 CA-C-O 123.989 1.852 . . . . 0.0 108.791 178.233 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 44.4 ttp180 178.79 85.61 0.01 OUTLIER 'General case' 0 N--CA 1.423 -1.815 0 CA-C-N 109.654 -3.43 . . . . 0.0 103.035 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 13.3 tpt180 -57.28 84.71 0.01 OUTLIER 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 110.389 -3.096 . . . . 0.0 110.46 -179.345 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.336 -0.007 0 CA-C-N 112.377 -2.192 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.7 ttm . . . . . 0 N--CA 1.436 -1.173 0 N-CA-C 106.269 -1.752 . . . . 0.0 106.269 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.599 ' O ' ' SD ' ' A' ' 55' ' ' MET . 56.9 mt-10 -98.87 97.14 8.37 Favored 'General case' 0 C--O 1.215 -0.74 0 N-CA-C 103.49 -2.782 . . . . 0.0 103.49 178.637 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.637 ' HA ' ' SD ' ' A' ' 55' ' ' MET 0.288 . . -91.85 154.69 18.72 Favored 'General case' 0 C--N 1.354 0.78 0 C-N-CA 128.624 2.769 . . . . 0.0 115.219 -172.021 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.424 HG12 ' SD ' ' A' ' 55' ' ' MET . 29.8 mm -136.51 118.03 19.23 Favored 'Isoleucine or valine' 0 C--N 1.359 1.019 0 CA-C-N 110.195 -3.184 . . . . 0.0 108.338 -177.544 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -66.58 131.48 46.09 Favored 'General case' 0 CA--C 1.539 0.554 0 N-CA-C 106.114 -1.81 . . . . 0.0 106.114 177.075 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 18.1 tttt -86.4 -37.22 18.6 Favored 'General case' 0 CA--C 1.512 -0.484 0 CA-C-N 111.652 -2.522 . . . . 0.0 112.465 -176.411 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 78.9 m-85 -138.61 172.35 13.01 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-N 110.809 -2.905 . . . . 0.0 108.382 -179.459 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -83.27 130.41 35.07 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 110.139 -3.209 . . . . 0.0 107.152 179.117 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 19.2 t80 -137.27 146.86 45.22 Favored 'General case' 0 C--N 1.349 0.567 0 CA-C-O 124.551 2.119 . . . . 0.0 111.959 -178.178 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 33.7 tptt -128.27 117.04 20.78 Favored 'General case' 0 N--CA 1.441 -0.925 0 CA-C-N 109.467 -3.515 . . . . 0.0 106.137 178.615 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -52.46 154.79 2.37 Favored 'General case' 0 C--N 1.359 1.01 0 CA-C-O 123.398 1.57 . . . . 0.0 112.947 179.247 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 40.2 p -104.04 -16.07 15.4 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-N 110.246 -3.161 . . . . 0.0 111.863 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -151.48 173.88 14.05 Favored 'General case' 0 C--N 1.351 0.658 0 CA-C-N 113.413 -1.721 . . . . 0.0 110.946 -178.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -69.39 -26.88 64.86 Favored 'General case' 0 CA--C 1.546 0.827 0 CA-C-N 111.39 -2.641 . . . . 0.0 113.712 -177.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 10.1 p-10 -77.77 -21.89 51.04 Favored 'General case' 0 CA--C 1.547 0.857 0 CA-C-N 114.59 -1.186 . . . . 0.0 111.454 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -99.75 158.71 15.59 Favored 'General case' 0 C--N 1.351 0.635 0 CA-C-N 113.324 -1.762 . . . . 0.0 109.748 -179.608 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . 0.263 4.2 pp -135.81 159.2 42.38 Favored 'General case' 0 C--N 1.348 0.527 0 CA-C-N 111.935 -2.393 . . . . 0.0 110.64 176.882 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 32.0 m -86.91 159.71 18.95 Favored 'General case' 0 N--CA 1.442 -0.865 0 CA-C-N 109.27 -3.604 . . . . 0.0 112.092 -177.465 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.472 ' HB3' ' CD1' ' A' ' 41' ' ' LEU . 27.0 p90 -160.32 161.18 33.2 Favored 'General case' 0 C--O 1.219 -0.518 0 CA-C-N 109.284 -3.598 . . . . 0.0 107.497 177.566 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.84 143.15 48.05 Favored 'General case' 0 N--CA 1.447 -0.618 0 CA-C-N 112.422 -2.172 . . . . 0.0 105.728 179.478 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 30.5 ttt180 -44.69 109.75 0.18 Allowed 'General case' 0 CA--C 1.551 0.986 0 O-C-N 124.694 1.247 . . . . 0.0 112.397 178.161 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 113.4 5.73 22.54 Favored Glycine 0 CA--C 1.537 1.45 0 CA-C-N 111.063 -2.79 . . . . 0.0 114.372 179.717 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 32.1 m-20 -70.47 153.82 42.54 Favored 'General case' 0 C--N 1.367 1.331 0 C-N-CA 116.964 -1.895 . . . . 0.0 110.09 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 25.3 mm -102.44 111.96 34.05 Favored 'Isoleucine or valine' 0 C--N 1.348 0.513 0 CA-C-N 112.835 -1.984 . . . . 0.0 106.355 179.715 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.8 mp -104.54 168.39 9.11 Favored 'General case' 0 C--N 1.355 0.847 0 CA-C-O 123.361 1.553 . . . . 0.0 111.919 -178.018 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 30.2 tttt -134.63 105.02 6.3 Favored 'General case' 0 C--O 1.217 -0.655 0 CA-C-N 110.012 -3.267 . . . . 0.0 110.076 179.343 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 15.3 t -88.07 111.97 23.0 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.526 0 CA-C-N 113.77 -1.559 . . . . 0.0 107.058 -175.591 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.4 tt -90.88 -40.23 11.86 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-N 111.098 -2.774 . . . . 0.0 111.281 -176.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 -131.93 118.46 19.81 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-N 114.725 -1.125 . . . . 0.0 109.558 179.604 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -142.94 123.12 13.71 Favored 'General case' 0 C--N 1.348 0.534 0 CA-C-N 112.66 -2.064 . . . . 0.0 107.73 178.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . 0.259 7.1 pt-20 127.5 108.93 0.0 OUTLIER 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 129.747 3.219 . . . . 0.0 107.785 -179.438 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 4.5 p 171.21 -55.3 0.01 OUTLIER 'General case' 0 C--N 1.347 0.474 0 CA-C-N 112.026 -2.352 . . . . 0.0 107.96 -179.165 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -127.06 126.07 42.43 Favored 'General case' 0 C--N 1.351 0.654 0 CA-C-N 111.891 -2.413 . . . . 0.0 107.897 179.723 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 84.4 mt-30 -93.19 85.06 4.93 Favored 'General case' 0 C--N 1.348 0.528 0 N-CA-C 106.386 -1.709 . . . . 0.0 106.386 178.492 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 29.6 m-20 158.31 -14.75 0.0 OUTLIER 'General case' 0 C--N 1.35 0.59 0 C-N-CA 127.668 2.387 . . . . 0.0 110.494 -178.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 80.3 m95 -137.77 128.17 26.38 Favored 'General case' 0 C--N 1.358 0.947 0 CA-C-O 122.237 1.018 . . . . 0.0 111.317 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 10.5 m-85 -109.57 149.53 29.52 Favored 'General case' 0 C--O 1.222 -0.359 0 CA-C-N 112.142 -2.299 . . . . 0.0 107.11 178.364 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 85.1 tttt -107.12 117.05 33.05 Favored 'General case' 0 C--N 1.349 0.576 0 N-CA-C 105.728 -1.953 . . . . 0.0 105.728 176.281 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -135.89 172.82 12.46 Favored 'General case' 0 C--N 1.356 0.851 0 O-C-N 124.32 1.013 . . . . 0.0 112.338 -178.267 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -109.57 130.4 55.51 Favored 'General case' 0 C--N 1.353 0.733 0 O-C-N 125.632 1.833 . . . . 0.0 110.312 -177.581 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.472 ' CD1' ' HB3' ' A' ' 19' ' ' PHE 0.305 10.9 mt -162.76 148.34 12.2 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-N 111.737 -2.483 . . . . 0.0 112.92 177.851 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 53.74 34.64 19.44 Favored 'General case' 0 CA--C 1.548 0.897 0 CA-C-N 109.753 -3.385 . . . . 0.0 115.534 170.489 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 79.4 8.68 87.6 Favored Glycine 0 CA--C 1.538 1.528 0 CA-C-N 114.41 -1.268 . . . . 0.0 114.703 179.58 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 68.9 mmtt -135.38 174.59 10.44 Favored 'General case' 0 C--N 1.351 0.666 0 N-CA-C 107.886 -1.153 . . . . 0.0 107.886 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -144.89 125.22 13.83 Favored 'General case' 0 CA--C 1.546 0.814 0 CA-C-N 113.1 -1.864 . . . . 0.0 107.135 176.881 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -159.11 -177.1 31.89 Favored Glycine 0 C--N 1.351 1.397 0 CA-C-N 114.601 -1.181 . . . . 0.0 111.989 -177.247 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -79.79 146.84 32.08 Favored 'General case' 0 C--N 1.346 0.431 0 CA-C-O 123.004 1.383 . . . . 0.0 110.936 -179.71 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 34.6 pt -140.36 143.4 33.08 Favored Pre-proline 0 CA--C 1.542 0.648 0 CA-C-N 111.039 -2.8 . . . . 0.0 106.686 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 2.3 Cg_endo -71.23 145.2 48.23 Favored 'Trans proline' 0 C--N 1.362 1.242 0 C-N-CA 121.084 1.189 . . . . 0.0 111.002 177.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 6.6 mtpm? -71.45 -33.39 69.31 Favored 'General case' 0 C--N 1.354 0.795 0 C-N-CA 119.201 -0.999 . . . . 0.0 109.849 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 10.1 p-10 -66.4 -20.13 65.98 Favored 'General case' 0 CA--C 1.55 0.962 0 CA-C-N 112.573 -2.103 . . . . 0.0 113.045 179.525 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 -94.03 4.81 53.37 Favored 'General case' 0 CA--C 1.557 1.216 0 CA-C-O 117.669 -1.158 . . . . 0.0 113.542 177.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.426 ' CG1' ' N ' ' A' ' 54' ' ' GLU . 0.1 OUTLIER -135.1 166.15 28.99 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.889 0 CA-C-O 122.968 1.366 . . . . 0.0 110.401 176.345 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.57 ' O ' ' SD ' ' A' ' 55' ' ' MET . 2.4 tm-20 -135.41 130.46 34.88 Favored 'General case' 0 C--N 1.351 0.66 0 CA-C-N 110.624 -2.989 . . . . 0.0 106.734 177.844 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' MET . . . . . 0.637 ' SD ' ' HA ' ' A' ' 3' ' ' ALA . 0.9 OUTLIER -153.66 -165.43 2.13 Favored 'General case' 0 N--CA 1.427 -1.605 0 N-CA-C 115.812 1.782 . . . . 0.0 115.812 176.499 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.463 ' H ' ' HG3' ' A' ' 55' ' ' MET . 32.4 mtmm -156.22 99.21 2.14 Favored Pre-proline 0 CA--C 1.577 2.009 2 C-N-CA 135.687 5.595 . . . . 0.0 106.146 -177.888 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo . . . . . 0 C--N 1.372 1.808 0 C-N-CA 123.122 2.548 . . . . 0.0 113.514 178.147 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.223 -0.337 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 7.6 p -74.5 119.86 78.63 Favored Pre-proline 0 CA--C 1.547 0.845 0 O-C-N 125.055 1.472 . . . . 0.0 107.929 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 1.8 Cg_endo -69.33 161.96 43.76 Favored 'Trans proline' 0 C--N 1.365 1.439 0 N-CA-C 114.416 0.891 . . . . 0.0 114.416 -179.525 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_exo -50.93 162.09 1.2 Allowed 'Trans proline' 0 C--N 1.365 1.398 0 C-N-CA 124.819 3.68 . . . . 0.0 116.286 177.043 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -79.98 125.68 6.08 Favored 'Trans proline' 0 C--N 1.362 1.285 0 N-CA-C 105.321 -2.607 . . . . 0.0 105.321 175.008 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 1.8 t -69.92 134.36 87.83 Favored Pre-proline 0 N--CA 1.439 -1.0 0 CA-C-N 111.466 -2.606 . . . . 0.0 110.57 -177.328 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 16.8 Cg_exo -62.09 165.22 15.06 Favored 'Trans proline' 0 C--N 1.361 1.219 0 C-N-CA 121.917 1.745 . . . . 0.0 114.655 -179.565 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 70.2 Cg_endo -87.57 111.83 0.81 Allowed 'Trans proline' 0 CA--C 1.548 1.185 0 C-N-CA 121.178 1.252 . . . . 0.0 109.77 176.187 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . 0.407 ' HG2' HH11 ' B' ' 8' ' ' ARG . 0.1 OUTLIER -88.0 135.68 33.31 Favored 'General case' 0 C--N 1.353 0.751 0 N-CA-C 107.789 -1.189 . . . . 0.0 107.789 178.504 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 4.1 mmp_? 128.75 71.64 0.0 OUTLIER 'General case' 0 C--N 1.357 0.896 0 C-N-CA 129.001 2.92 . . . . 0.0 108.869 179.514 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.22 44.86 2.56 Favored 'General case' 0 CA--C 1.546 0.798 0 CA-C-N 112.955 -1.929 . . . . 0.0 108.829 179.199 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.341 0.204 0 CA-C-N 113.499 -1.682 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 31.4 ttm . . . . . 0 CA--C 1.536 0.429 0 N-CA-C 106.028 -1.842 . . . . 0.0 106.028 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -92.85 125.73 37.59 Favored 'General case' 0 C--N 1.351 0.631 0 CA-C-N 114.094 -1.412 . . . . 0.0 107.659 178.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -104.03 140.26 38.0 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 111.136 -2.756 . . . . 0.0 107.304 -179.028 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 31.2 mm -137.58 116.68 14.79 Favored 'Isoleucine or valine' 0 C--N 1.348 0.525 0 CA-C-N 113.755 -1.566 . . . . 0.0 109.54 -177.153 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -66.58 119.72 12.2 Favored 'General case' 0 CA--C 1.545 0.776 0 CA-C-N 112.547 -2.115 . . . . 0.0 110.348 179.202 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.8 mtmp? -88.24 -14.46 38.41 Favored 'General case' 0 C--N 1.343 0.318 0 CA-C-N 113.712 -1.585 . . . . 0.0 111.901 179.278 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 70.9 m-85 -142.72 172.24 12.96 Favored 'General case' 0 CA--C 1.538 0.511 0 O-C-N 125.54 1.775 . . . . 0.0 110.258 179.341 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -91.87 128.09 37.58 Favored 'General case' 0 CA--C 1.544 0.737 0 CA-C-N 111.55 -2.568 . . . . 0.0 108.096 178.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 14.6 t80 -137.95 151.43 47.95 Favored 'General case' 0 C--N 1.351 0.668 0 CA-C-O 124.743 2.211 . . . . 0.0 113.542 -177.765 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.38 106.84 6.85 Favored 'General case' 0 CA--C 1.55 0.947 0 CA-C-N 108.825 -3.807 . . . . 0.0 107.405 178.431 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -50.95 158.03 0.75 Allowed 'General case' 0 N--CA 1.47 0.539 0 CA-C-O 123.888 1.804 . . . . 0.0 113.566 -179.749 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 48.6 p -87.42 -25.91 23.54 Favored 'General case' 0 CA--C 1.549 0.932 0 CA-C-N 109.369 -3.559 . . . . 0.0 106.472 175.665 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 59.98 77.39 0.32 Allowed 'General case' 0 C--N 1.356 0.865 0 C-N-CA 128.774 2.83 . . . . 0.0 112.674 178.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . 0.255 11.5 t70 -125.37 17.75 8.26 Favored 'General case' 0 N--CA 1.438 -1.064 1 CA-C-N 106.341 -4.936 . . . . 0.0 107.679 179.628 . . . . . . . . 3 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 45.4 p30 121.79 11.14 0.0 OUTLIER 'General case' 0 C--N 1.37 1.493 0 C-N-CA 130.743 3.617 . . . . 0.0 110.83 -176.513 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 76.7 mt-10 -98.21 165.5 11.85 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 112.261 -2.245 . . . . 0.0 112.817 -177.527 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.1 pp -139.05 159.63 41.69 Favored 'General case' 0 C--N 1.354 0.764 0 CA-C-N 110.546 -3.025 . . . . 0.0 111.28 177.533 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 40.7 m -87.15 157.79 19.29 Favored 'General case' 0 N--CA 1.445 -0.721 0 CA-C-N 109.345 -3.571 . . . . 0.0 111.613 -178.055 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.409 ' HB3' ' CD1' ' A' ' 41' ' ' LEU . 29.1 p90 -160.34 150.44 18.11 Favored 'General case' 0 C--O 1.219 -0.516 0 CA-C-N 110.785 -2.916 . . . . 0.0 106.13 178.296 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 21.0 pttp -109.05 151.0 26.97 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 112.985 -1.916 . . . . 0.0 106.844 178.798 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 45.1 tpt85 -45.34 109.36 0.17 Allowed 'General case' 0 CA--C 1.554 1.122 0 CA-C-N 113.032 -1.895 . . . . 0.0 111.817 177.487 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 104.26 15.65 20.86 Favored Glycine 0 C--N 1.347 1.183 0 CA-C-N 111.907 -2.406 . . . . 0.0 115.21 178.271 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 60.1 m-20 -71.31 158.37 36.47 Favored 'General case' 0 C--N 1.367 1.365 0 C-N-CA 116.054 -2.258 . . . . 0.0 111.28 179.63 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 74.3 mt -102.51 105.31 17.89 Favored 'Isoleucine or valine' 0 C--N 1.351 0.636 0 CA-C-N 110.878 -2.874 . . . . 0.0 105.016 178.636 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.421 HD13 ' CG ' ' A' ' 41' ' ' LEU 0.262 3.0 mp -107.06 161.36 14.81 Favored 'General case' 0 N--CA 1.444 -0.75 0 CA-C-N 112.076 -2.329 . . . . 0.0 108.816 -177.995 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 35.3 mtpt -133.73 108.21 8.38 Favored 'General case' 0 C--O 1.22 -0.485 0 CA-C-N 112.065 -2.334 . . . . 0.0 107.585 176.524 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -88.52 102.97 13.34 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.606 0 CA-C-O 124.668 2.175 . . . . 0.0 105.27 -177.507 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 28.7 tp -92.88 -48.72 6.4 Favored 'General case' 0 N--CA 1.443 -0.786 1 CA-C-N 107.41 -4.45 . . . . 0.0 112.759 -176.666 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 -137.6 147.78 45.32 Favored 'General case' 0 C--N 1.357 0.897 0 O-C-N 124.777 1.298 . . . . 0.0 112.278 -177.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 15.7 mp0 -132.55 90.05 2.73 Favored 'General case' 0 CA--C 1.544 0.737 0 N-CA-C 103.466 -2.791 . . . . 0.0 103.466 178.122 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -96.29 97.2 9.31 Favored 'General case' 0 N--CA 1.434 -1.258 0 CA-C-N 112.655 -2.066 . . . . 0.0 113.658 -175.14 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 13.9 t 68.6 -9.22 0.56 Allowed 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 109.537 -3.483 . . . . 0.0 116.382 175.373 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -126.14 158.43 35.54 Favored 'General case' 0 C--N 1.35 0.601 0 CA-C-O 122.999 1.38 . . . . 0.0 109.873 -179.123 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 25.0 tt0 -84.28 -76.16 0.31 Allowed 'General case' 0 N--CA 1.436 -1.164 0 CA-C-N 111.206 -2.724 . . . . 0.0 107.173 179.039 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 -40.81 -20.51 0.01 OUTLIER 'General case' 0 N--CA 1.44 -0.941 1 C-N-CA 134.751 5.22 . . . . 0.0 114.425 179.05 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 78.0 m95 -135.86 118.23 15.71 Favored 'General case' 0 C--N 1.346 0.421 0 CA-C-O 123.509 1.623 . . . . 0.0 109.859 -179.511 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.407 ' O ' ' HA ' ' A' ' 47' ' ' PHE 0.273 13.4 m-30 -104.7 140.09 38.56 Favored 'General case' 0 C--O 1.217 -0.644 0 CA-C-N 109.569 -3.469 . . . . 0.0 110.087 179.395 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 61.7 tttm -99.79 90.02 4.3 Favored 'General case' 0 CA--C 1.535 0.383 0 N-CA-C 104.811 -2.292 . . . . 0.0 104.811 177.723 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -102.19 -173.1 2.26 Favored 'General case' 0 C--N 1.352 0.683 0 CA-C-N 112.185 -2.28 . . . . 0.0 109.805 -177.801 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -129.87 131.83 46.22 Favored 'General case' 0 C--N 1.354 0.763 0 O-C-N 125.256 1.598 . . . . 0.0 111.191 -178.117 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.421 ' CG ' HD13 ' A' ' 25' ' ' LEU 0.25 8.3 mt -160.29 141.98 12.6 Favored 'General case' 0 CA--C 1.496 -1.122 0 CA-C-N 111.851 -2.431 . . . . 0.0 114.111 178.442 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 57.79 29.42 17.42 Favored 'General case' 0 CA--C 1.545 0.761 0 CA-C-N 109.035 -3.712 . . . . 0.0 112.88 173.389 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 72.58 17.92 78.24 Favored Glycine 0 CA--C 1.539 1.531 0 CA-C-N 112.93 -1.941 . . . . 0.0 113.569 -179.463 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -136.5 135.24 38.39 Favored 'General case' 0 C--N 1.353 0.719 0 N-CA-C 108.091 -1.078 . . . . 0.0 108.091 -179.484 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -98.93 148.42 23.98 Favored 'General case' 0 CA--C 1.544 0.719 0 N-CA-C 106.453 -1.684 . . . . 0.0 106.453 177.144 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -176.23 167.0 38.41 Favored Glycine 0 C--N 1.339 0.705 0 C-N-CA 119.137 -1.506 . . . . 0.0 111.119 -178.085 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.407 ' HA ' ' O ' ' A' ' 37' ' ' TYR . 75.4 m-85 -79.45 140.48 37.33 Favored 'General case' 0 CA--C 1.54 0.592 0 CA-C-N 112.789 -1.706 . . . . 0.0 110.417 -179.445 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 45.3 pt -139.36 144.63 40.85 Favored Pre-proline 0 CA--C 1.545 0.762 0 CA-C-N 112.847 -1.979 . . . . 0.0 108.347 -179.092 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo -66.72 140.57 56.6 Favored 'Trans proline' 0 C--N 1.364 1.357 0 C-N-CA 121.908 1.739 . . . . 0.0 114.811 -179.457 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 20.7 mtpt -70.65 -35.4 72.86 Favored 'General case' 0 C--N 1.376 1.751 0 C-N-CA 114.714 -2.794 . . . . 0.0 112.364 179.074 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 19.0 p-10 -59.1 -20.72 56.03 Favored 'General case' 0 CA--C 1.554 1.102 0 CA-C-N 114.44 -1.254 . . . . 0.0 113.851 179.523 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -92.77 -0.43 57.27 Favored 'General case' 0 CA--C 1.553 1.07 0 N-CA-C 113.824 1.046 . . . . 0.0 113.824 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.475 ' CG1' ' N ' ' A' ' 54' ' ' GLU . 0.1 OUTLIER -132.34 172.97 15.49 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.128 0 CA-C-O 122.772 1.272 . . . . 0.0 111.414 -179.907 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.475 ' N ' ' CG1' ' A' ' 53' ' ' ILE . 37.2 tt0 -129.6 127.15 40.06 Favored 'General case' 0 C--N 1.354 0.784 0 C-N-CA 128.811 2.845 . . . . 0.0 107.133 177.234 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 56.9 mtm -87.68 165.76 15.16 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-N 114.2 -1.364 . . . . 0.0 109.865 179.291 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 28.4 mmmt -153.97 88.58 3.51 Favored Pre-proline 0 CA--C 1.55 0.962 0 CA-C-N 112.421 -2.172 . . . . 0.0 108.624 -179.115 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_endo . . . . . 0 C--N 1.367 1.522 0 C-N-CA 121.352 1.368 . . . . 0.0 112.89 -179.644 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.226 -0.184 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 51.0 t -124.89 86.94 55.78 Favored Pre-proline 0 CA--C 1.546 0.823 0 O-C-N 125.638 1.836 . . . . 0.0 107.373 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -54.87 152.38 29.17 Favored 'Trans proline' 0 CA--C 1.562 1.875 0 C-N-CA 121.984 1.789 . . . . 0.0 115.936 -179.386 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_exo -48.39 158.78 0.92 Allowed 'Trans proline' 0 C--N 1.368 1.601 0 C-N-CA 125.085 3.857 . . . . 0.0 118.783 179.359 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -78.9 123.39 5.73 Favored 'Trans proline' 0 C--N 1.367 1.512 0 N-CA-C 105.666 -2.475 . . . . 0.0 105.666 175.278 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 1.5 t -69.01 137.66 89.76 Favored Pre-proline 0 CA--C 1.547 0.833 0 CA-C-N 111.465 -2.607 . . . . 0.0 112.668 -176.244 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 26.6 Cg_exo -64.1 162.45 29.52 Favored 'Trans proline' 0 C--N 1.366 1.456 0 C-N-CA 121.786 1.657 . . . . 0.0 113.023 179.01 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_endo -80.77 115.97 3.13 Favored 'Trans proline' 0 CA--C 1.547 1.15 0 N-CA-C 107.755 -1.671 . . . . 0.0 107.755 175.286 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 2.3 ppt_? -69.14 156.65 38.33 Favored 'General case' 0 C--N 1.356 0.866 0 C-N-CA 119.313 -0.955 . . . . 0.0 108.973 178.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 91.4 mtt180 66.41 42.43 2.95 Favored 'General case' 0 CA--C 1.551 1.012 0 CA-C-N 113.135 -1.848 . . . . 0.0 108.526 -177.7 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 18.3 mmt180 74.79 142.19 0.07 Allowed 'General case' 0 C--N 1.357 0.909 0 C-N-CA 129.291 3.036 . . . . 0.0 111.64 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.345 0.373 0 CA-C-N 111.841 -2.436 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.427 ' SD ' ' HA ' ' A' ' 56' ' ' LYS . 55.0 tpp . . . . . 0 N--CA 1.441 -0.914 0 N-CA-C 103.782 -2.673 . . . . 0.0 103.782 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -78.51 143.17 36.83 Favored 'General case' 0 C--N 1.351 0.644 0 CA-C-N 113.415 -1.72 . . . . 0.0 108.931 -178.291 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.415 ' CB ' ' HB2' ' A' ' 25' ' ' LEU . . . -134.87 135.85 41.97 Favored 'General case' 0 N--CA 1.444 -0.769 0 CA-C-N 110.186 -3.188 . . . . 0.0 103.634 -179.136 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 4.0 mp -138.94 129.02 32.17 Favored 'Isoleucine or valine' 0 C--N 1.346 0.448 0 O-C-N 124.177 0.923 . . . . 0.0 110.861 -175.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -67.09 121.45 15.62 Favored 'General case' 0 CA--C 1.549 0.916 0 CA-C-N 113.893 -1.503 . . . . 0.0 110.117 178.58 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 28.0 mtpp -88.67 -25.46 22.37 Favored 'General case' 0 C--N 1.346 0.413 0 CA-C-N 114.181 -1.372 . . . . 0.0 113.276 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -139.83 173.65 11.32 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 112.028 -2.351 . . . . 0.0 109.879 -178.5 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 -82.96 128.08 34.13 Favored 'General case' 0 C--N 1.347 0.458 0 CA-C-N 110.597 -3.001 . . . . 0.0 107.182 179.653 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 19.8 t80 -138.66 155.71 48.05 Favored 'General case' 0 C--N 1.35 0.624 0 CA-C-O 124.39 2.043 . . . . 0.0 112.121 -178.728 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.51 125.03 28.05 Favored 'General case' 0 CA--C 1.543 0.689 0 CA-C-N 109.36 -3.563 . . . . 0.0 108.243 178.568 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -51.28 161.58 0.42 Allowed 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 113.236 -1.802 . . . . 0.0 113.406 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -108.83 46.86 0.94 Allowed 'General case' 0 CA--C 1.544 0.733 0 CA-C-N 111.811 -2.449 . . . . 0.0 107.672 177.219 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 77.14 159.88 0.21 Allowed 'General case' 0 C--O 1.212 -0.911 0 CA-C-N 109.318 -3.583 . . . . 0.0 108.36 -178.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -6.91 -41.89 0.0 OUTLIER 'General case' 0 CA--C 1.551 1.0 1 C-N-CA 132.891 4.476 . . . . 0.0 118.037 -178.465 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 24.8 p-10 -63.05 -33.26 75.05 Favored 'General case' 0 CA--C 1.554 1.116 0 CA-C-O 123.511 1.624 . . . . 0.0 111.145 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -102.73 156.19 17.8 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-N 110.947 -2.842 . . . . 0.0 108.256 177.307 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . 0.267 3.9 pp -134.45 152.28 51.69 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 112.215 -2.266 . . . . 0.0 107.943 176.827 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 42.2 m -85.78 160.85 19.38 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 111.117 -2.765 . . . . 0.0 112.386 -175.528 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 33.7 p90 -160.18 148.35 16.77 Favored 'General case' 0 C--N 1.346 0.441 0 CA-C-N 111.202 -2.726 . . . . 0.0 106.463 177.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.34 146.08 32.03 Favored 'General case' 0 N--CA 1.447 -0.58 0 N-CA-C 104.847 -2.279 . . . . 0.0 104.847 178.5 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 19.6 ttm180 -46.94 115.44 1.07 Allowed 'General case' 0 CA--C 1.55 0.946 0 CA-C-N 114.208 -1.36 . . . . 0.0 111.37 177.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 112.23 -3.59 26.8 Favored Glycine 0 CA--C 1.528 0.871 0 CA-C-N 112.46 -2.155 . . . . 0.0 113.292 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 32.3 m-20 -72.85 150.37 42.74 Favored 'General case' 0 C--N 1.369 1.438 0 C-N-CA 115.785 -2.366 . . . . 0.0 109.05 179.775 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 46.7 mm -101.46 123.87 54.84 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.382 0 CA-C-N 112.64 -2.073 . . . . 0.0 106.708 179.675 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.447 ' CD1' ' CD1' ' A' ' 41' ' ' LEU 0.27 1.5 mm? -105.97 166.1 10.73 Favored 'General case' 0 N--CA 1.443 -0.823 0 CA-C-N 112.053 -2.34 . . . . 0.0 110.238 -178.952 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 12.5 ttpt -136.25 112.82 10.05 Favored 'General case' 0 C--O 1.217 -0.619 0 CA-C-N 108.847 -3.797 . . . . 0.0 109.167 178.394 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.8 m -88.33 125.98 41.65 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.222 0 CA-C-O 123.885 1.802 . . . . 0.0 110.697 -175.356 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 49.0 tp -91.7 -59.22 2.18 Favored 'General case' 0 C--N 1.349 0.567 0 CA-C-N 109.657 -3.429 . . . . 0.0 111.272 -177.255 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 83.6 m-20 -131.49 128.42 39.34 Favored 'General case' 0 C--N 1.352 0.716 0 O-C-N 125.302 1.626 . . . . 0.0 109.652 -179.211 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -139.76 65.82 1.42 Allowed 'General case' 0 C--N 1.35 0.629 0 CA-C-N 113.476 -1.693 . . . . 0.0 109.097 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -155.82 35.43 0.35 Allowed 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 112.033 -2.349 . . . . 0.0 110.783 -179.313 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 48.3 t -122.38 -59.77 1.61 Allowed 'General case' 0 C--N 1.349 0.548 0 CA-C-N 113.021 -1.9 . . . . 0.0 108.652 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 56.4 m-20 -121.84 152.23 39.78 Favored 'General case' 0 C--N 1.353 0.729 0 CA-C-N 113.655 -1.612 . . . . 0.0 108.97 179.256 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -115.27 48.81 1.13 Allowed 'General case' 0 C--N 1.346 0.436 0 CA-C-N 112.436 -2.165 . . . . 0.0 107.097 179.309 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -163.45 -25.88 0.04 OUTLIER 'General case' 0 N--CA 1.445 -0.71 0 CA-C-N 111.091 -2.777 . . . . 0.0 109.422 -176.621 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 57.8 m95 -137.99 137.79 38.24 Favored 'General case' 0 C--N 1.359 1.011 0 O-C-N 123.992 0.808 . . . . 0.0 109.284 179.571 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 32.8 m-85 -106.98 143.39 35.15 Favored 'General case' 0 C--N 1.347 0.499 0 CA-C-N 113.412 -1.722 . . . . 0.0 107.888 178.694 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.4 ttmp? -101.42 92.58 4.99 Favored 'General case' 0 C--N 1.35 0.59 0 N-CA-C 105.895 -1.891 . . . . 0.0 105.895 177.611 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -103.7 -174.17 2.48 Favored 'General case' 0 C--N 1.355 0.843 0 CA-C-N 113.616 -1.629 . . . . 0.0 111.359 -177.652 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -125.82 134.51 51.65 Favored 'General case' 0 C--N 1.358 0.975 0 O-C-N 125.528 1.768 . . . . 0.0 110.795 -178.209 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.447 ' CD1' ' CD1' ' A' ' 25' ' ' LEU 0.303 10.4 mt -162.51 144.72 10.81 Favored 'General case' 0 C--N 1.352 0.703 0 CA-C-N 110.136 -3.211 . . . . 0.0 113.551 178.253 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 54.72 37.89 29.1 Favored 'General case' 0 CA--C 1.543 0.683 0 CA-C-N 110.199 -3.182 . . . . 0.0 114.748 170.811 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 72.52 13.88 77.58 Favored Glycine 0 CA--C 1.54 1.629 0 CA-C-N 113.764 -1.562 . . . . 0.0 114.127 -179.774 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 55.3 mtmt -134.09 178.42 6.98 Favored 'General case' 0 C--N 1.354 0.788 0 CA-C-O 122.141 0.972 . . . . 0.0 108.769 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 12.8 p-10 -142.52 135.95 28.84 Favored 'General case' 0 CA--C 1.543 0.686 0 CA-C-N 112.251 -2.25 . . . . 0.0 106.588 178.746 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -167.77 175.69 42.61 Favored Glycine 0 C--N 1.346 1.129 0 C-N-CA 118.821 -1.657 . . . . 0.0 111.547 -176.663 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 80.3 m-85 -79.84 138.86 37.31 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 111.803 -2.198 . . . . 0.0 111.996 -179.169 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 31.6 pt -136.42 135.17 20.38 Favored Pre-proline 0 CA--C 1.544 0.716 0 CA-C-N 111.693 -2.503 . . . . 0.0 105.813 179.372 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 4.4 Cg_endo -68.4 137.27 39.26 Favored 'Trans proline' 0 C--N 1.363 1.328 0 C-N-CA 121.295 1.33 . . . . 0.0 112.884 -178.415 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.43 -16.25 62.38 Favored 'General case' 0 C--N 1.356 0.876 0 C-N-CA 116.127 -2.229 . . . . 0.0 114.331 -179.042 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . 0.257 0.8 OUTLIER -82.17 -13.78 56.63 Favored 'General case' 0 C--N 1.359 1.01 0 C-N-CA 118.081 -1.447 . . . . 0.0 111.221 177.985 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -93.42 -2.12 54.97 Favored 'General case' 0 C--N 1.356 0.851 0 C-N-CA 118.985 -1.086 . . . . 0.0 112.218 177.714 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -134.33 159.09 42.19 Favored 'Isoleucine or valine' 0 C--N 1.36 1.062 0 CA-C-O 122.46 1.124 . . . . 0.0 112.828 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -106.27 119.46 39.29 Favored 'General case' 0 C--N 1.357 0.931 0 CA-C-N 111.437 -2.619 . . . . 0.0 105.389 175.204 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . 0.266 3.3 mpp? -88.07 -169.5 2.6 Favored 'General case' 0 C--N 1.344 0.346 0 CA-C-O 122.1 0.952 . . . . 0.0 111.139 -178.569 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.447 ' HB2' ' CD ' ' A' ' 57' ' ' PRO 0.496 75.2 mttt 40.53 -83.17 0.0 OUTLIER Pre-proline 0 C--N 1.359 1.021 1 C-N-CA 132.411 4.284 . . . . 0.0 115.239 172.189 . . . . . . . . 4 3 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.447 ' CD ' ' HB2' ' A' ' 56' ' ' LYS . 90.6 Cg_exo . . . . . 0 C--N 1.38 2.195 0 C-N-CA 124.893 3.729 . . . . 0.0 118.908 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.223 -0.333 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 96.4 t 18.28 83.04 0.09 OUTLIER Pre-proline 0 CA--C 1.551 1.001 0 C-N-CA 127.904 2.482 . . . . 0.0 112.62 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -50.37 150.85 10.6 Favored 'Trans proline' 0 CA--C 1.559 1.752 0 C-N-CA 122.247 1.964 . . . . 0.0 115.745 -179.194 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_exo -52.73 161.23 3.21 Favored 'Trans proline' 0 C--N 1.367 1.53 0 C-N-CA 124.297 3.331 . . . . 0.0 117.202 179.356 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -79.13 122.51 5.28 Favored 'Trans proline' 0 C--N 1.365 1.433 0 N-CA-C 106.254 -2.249 . . . . 0.0 106.254 175.092 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 2.1 t -68.21 139.41 92.46 Favored Pre-proline 0 CA--C 1.546 0.826 0 CA-C-N 111.651 -2.522 . . . . 0.0 111.83 -176.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 27.4 Cg_exo -61.42 158.56 35.44 Favored 'Trans proline' 0 C--N 1.363 1.314 0 C-N-CA 121.515 1.477 . . . . 0.0 114.116 178.672 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -82.39 112.48 2.21 Favored 'Trans proline' 0 CA--C 1.544 1.023 0 N-CA-C 108.946 -1.213 . . . . 0.0 108.946 176.56 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 4.9 ppt_? -84.78 162.47 19.58 Favored 'General case' 0 C--N 1.351 0.645 0 CA-C-N 115.097 -0.956 . . . . 0.0 109.074 179.438 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 25.3 ttt-85 79.42 74.44 0.04 OUTLIER 'General case' 0 N--CA 1.446 -0.65 0 CA-C-N 113.272 -1.785 . . . . 0.0 109.229 -178.283 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 52.4 mmm-85 -33.73 -55.05 0.46 Allowed 'General case' 0 C--N 1.355 0.836 0 CA-C-N 110.785 -2.916 . . . . 0.0 113.21 -179.314 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.448 0 CA-C-N 110.747 -2.933 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.502 ' SD ' ' SD ' ' A' ' 55' ' ' MET . 2.7 ptt? . . . . . 0 CA--C 1.53 0.192 0 CA-C-O 121.27 0.557 . . . . 0.0 109.529 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 20.5 tp10 -76.42 158.0 31.76 Favored 'General case' 0 C--N 1.354 0.771 0 N-CA-C 106.432 -1.692 . . . . 0.0 106.432 179.019 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.446 ' CB ' ' HB2' ' A' ' 25' ' ' LEU . . . -140.55 133.95 29.87 Favored 'General case' 0 N--CA 1.451 -0.394 0 N-CA-C 105.431 -2.063 . . . . 0.0 105.431 178.428 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 19.4 mt -144.26 127.46 11.95 Favored 'Isoleucine or valine' 0 C--N 1.345 0.384 0 CA-C-N 114.737 -1.12 . . . . 0.0 109.967 -176.029 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -67.12 120.05 13.07 Favored 'General case' 0 CA--C 1.543 0.683 0 CA-C-N 112.0 -2.364 . . . . 0.0 109.795 178.163 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 30.7 mtmt -86.9 -22.93 25.39 Favored 'General case' 0 C--N 1.342 0.263 0 CA-C-N 113.626 -1.624 . . . . 0.0 109.616 178.535 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 89.0 m-85 -141.31 173.28 11.64 Favored 'General case' 0 C--N 1.348 0.505 0 O-C-N 126.173 2.171 . . . . 0.0 111.356 -179.458 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 -81.82 126.9 32.41 Favored 'General case' 0 C--N 1.347 0.478 0 CA-C-N 109.551 -3.477 . . . . 0.0 107.692 179.466 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 17.3 t80 -139.02 142.56 38.26 Favored 'General case' 0 C--N 1.348 0.517 0 CA-C-O 123.92 1.819 . . . . 0.0 111.376 -179.413 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 16.0 tptp -130.21 101.61 5.86 Favored 'General case' 0 N--CA 1.443 -0.778 0 CA-C-N 110.158 -3.201 . . . . 0.0 106.647 178.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -53.48 157.71 2.01 Favored 'General case' 0 C--N 1.358 0.969 0 CA-C-O 123.6 1.667 . . . . 0.0 112.777 179.229 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -86.23 -25.53 25.54 Favored 'General case' 0 CA--C 1.547 0.865 0 CA-C-N 109.903 -3.317 . . . . 0.0 105.852 175.114 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 63.48 78.75 0.28 Allowed 'General case' 0 C--N 1.355 0.81 0 CA-C-N 111.145 -2.752 . . . . 0.0 111.361 -179.608 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.531 ' HB3' HH21 ' B' ' 8' ' ' ARG . 1.0 OUTLIER -123.42 11.96 9.35 Favored 'General case' 0 N--CA 1.44 -0.971 1 CA-C-N 105.664 -5.243 . . . . 0.0 108.344 178.844 . . . . . . . . 4 4 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 57.1 p30 127.99 -0.22 0.0 OUTLIER 'General case' 0 C--N 1.362 1.138 0 C-N-CA 130.082 3.353 . . . . 0.0 109.238 -175.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -96.97 155.2 16.88 Favored 'General case' 0 C--N 1.349 0.556 0 CA-C-N 112.383 -2.189 . . . . 0.0 110.945 -177.803 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.0 pp -131.94 157.31 44.37 Favored 'General case' 0 N--CA 1.476 0.836 0 CA-C-N 110.884 -2.871 . . . . 0.0 110.96 178.243 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 39.7 m -86.17 155.12 20.88 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-N 109.379 -3.555 . . . . 0.0 112.157 -176.254 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 29.8 p90 -160.49 146.94 15.42 Favored 'General case' 0 C--N 1.345 0.405 0 CA-C-N 110.236 -3.165 . . . . 0.0 106.587 178.793 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 24.7 mtmt -105.67 148.29 27.55 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-N 112.512 -2.131 . . . . 0.0 106.031 179.272 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 18.2 ttp180 -46.75 110.41 0.28 Allowed 'General case' 0 CA--C 1.549 0.922 0 CA-C-N 113.591 -1.641 . . . . 0.0 112.5 178.408 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 108.18 9.99 26.74 Favored Glycine 0 CA--C 1.532 1.145 0 CA-C-N 111.919 -2.4 . . . . 0.0 114.547 179.34 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 34.8 m-20 -70.54 156.54 39.28 Favored 'General case' 0 C--N 1.367 1.347 0 C-N-CA 116.49 -2.084 . . . . 0.0 109.398 179.706 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 37.5 mm -103.5 110.71 30.73 Favored 'Isoleucine or valine' 0 C--N 1.348 0.53 0 CA-C-N 112.709 -2.041 . . . . 0.0 106.203 179.012 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.446 ' HB2' ' CB ' ' A' ' 3' ' ' ALA . 4.1 mp -110.0 168.88 9.1 Favored 'General case' 0 C--N 1.349 0.544 0 CA-C-N 112.196 -2.275 . . . . 0.0 110.318 -177.67 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.422 ' HZ2' HD11 ' A' ' 28' ' ' LEU . 13.4 tmtt? -136.59 109.24 7.48 Favored 'General case' 0 C--O 1.217 -0.64 0 CA-C-N 110.442 -3.072 . . . . 0.0 109.675 178.571 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -89.66 114.83 28.19 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.46 0 CA-C-O 123.578 1.656 . . . . 0.0 109.642 -175.269 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.422 HD11 ' HZ2' ' A' ' 26' ' ' LYS . 6.6 tt -90.74 -38.35 13.09 Favored 'General case' 0 CA--C 1.549 0.919 0 CA-C-N 109.407 -3.542 . . . . 0.0 112.01 -176.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 5.7 p-10 -165.17 165.04 20.08 Favored 'General case' 0 C--N 1.36 1.04 0 CA-C-O 122.755 1.264 . . . . 0.0 112.778 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -150.45 80.65 1.35 Allowed 'General case' 0 CA--C 1.546 0.79 0 CA-C-N 111.674 -2.512 . . . . 0.0 105.515 178.773 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -80.71 89.59 5.77 Favored 'General case' 0 N--CA 1.437 -1.094 0 CA-C-O 123.547 1.642 . . . . 0.0 111.494 -177.251 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 2.1 p 68.07 -23.29 0.13 Allowed 'General case' 0 CA--C 1.544 0.73 0 CA-C-N 109.636 -3.438 . . . . 0.0 115.282 177.399 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.8 p30 -68.57 121.74 17.03 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-O 122.638 1.208 . . . . 0.0 111.395 -179.64 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.578 ' HA ' ' HZ1' ' A' ' 50' ' ' LYS . 46.5 mt-30 -112.67 54.53 0.71 Allowed 'General case' 0 C--N 1.35 0.604 0 CA-C-N 112.076 -2.329 . . . . 0.0 108.265 179.73 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 31.0 m-20 -169.93 -24.03 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 111.376 -2.647 . . . . 0.0 110.65 -178.763 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 86.0 m95 -137.21 140.73 41.92 Favored 'General case' 0 C--N 1.36 1.053 0 CA-C-O 122.336 1.065 . . . . 0.0 111.276 -179.155 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . 0.255 18.4 m-85 -105.47 175.07 5.62 Favored 'General case' 0 C--O 1.218 -0.558 0 N-CA-C 104.977 -2.231 . . . . 0.0 104.977 176.77 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 83.2 tttt -135.87 89.57 2.5 Favored 'General case' 0 CA--C 1.538 0.488 0 N-CA-C 104.11 -2.552 . . . . 0.0 104.11 175.346 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -105.32 -172.0 2.02 Favored 'General case' 0 C--N 1.356 0.888 0 CA-C-N 114.42 -1.264 . . . . 0.0 112.369 -177.12 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 51.6 tt0 -130.76 135.0 47.36 Favored 'General case' 0 C--N 1.355 0.838 0 CA-C-N 113.11 -1.859 . . . . 0.0 109.322 -179.623 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . 0.302 12.4 mt -160.23 135.66 8.15 Favored 'General case' 0 CA--C 1.499 -0.996 0 CA-C-N 111.816 -2.447 . . . . 0.0 113.894 179.509 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 57.37 31.45 20.19 Favored 'General case' 0 CA--C 1.549 0.911 0 CA-C-N 110.193 -3.185 . . . . 0.0 113.353 171.843 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 75.25 15.43 81.16 Favored Glycine 0 C--N 1.354 1.563 0 CA-C-N 113.063 -1.881 . . . . 0.0 114.084 -179.668 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 57.9 mtpt -135.41 131.03 35.76 Favored 'General case' 0 C--N 1.354 0.775 0 N-CA-C 109.152 -0.685 . . . . 0.0 109.152 -179.413 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -98.14 146.1 25.92 Favored 'General case' 0 CA--C 1.544 0.724 0 N-CA-C 106.937 -1.505 . . . . 0.0 106.937 177.783 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -178.61 170.9 43.05 Favored Glycine 0 C--N 1.343 0.95 0 C-N-CA 119.103 -1.522 . . . . 0.0 112.119 -177.791 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 76.9 m-85 -80.85 143.38 32.8 Favored 'General case' 0 C--N 1.349 0.568 0 CA-C-N 112.211 -1.994 . . . . 0.0 110.969 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 26.9 pt -140.23 142.27 29.29 Favored Pre-proline 0 CA--C 1.543 0.687 0 CA-C-N 110.978 -2.828 . . . . 0.0 106.082 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -71.92 143.63 41.35 Favored 'Trans proline' 0 C--N 1.361 1.197 0 C-N-CA 121.192 1.261 . . . . 0.0 112.698 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.578 ' HZ1' ' HA ' ' A' ' 34' ' ' GLN . 83.2 mttt -71.71 -26.84 62.66 Favored 'General case' 0 C--N 1.355 0.816 0 C-N-CA 118.495 -1.282 . . . . 0.0 111.936 -179.501 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . 0.303 1.2 p-10 -75.84 -12.36 60.15 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 117.809 -1.556 . . . . 0.0 112.56 178.56 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 -94.1 -8.46 39.56 Favored 'General case' 0 C--N 1.357 0.92 0 C-N-CA 118.986 -1.086 . . . . 0.0 113.759 177.513 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.435 ' CG1' ' N ' ' A' ' 54' ' ' GLU . 0.1 OUTLIER -133.12 171.26 18.44 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.189 0 CA-C-O 122.739 1.257 . . . . 0.0 110.793 -179.78 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.435 ' N ' ' CG1' ' A' ' 53' ' ' ILE . 27.9 tt0 -131.21 137.35 48.9 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 128.923 2.889 . . . . 0.0 104.499 175.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' MET . . . . . 0.502 ' SD ' ' SD ' ' A' ' 1' ' ' MET . 72.0 mtm -86.25 -77.81 0.3 Allowed 'General case' 0 C--N 1.352 0.713 0 CA-C-O 124.401 2.048 . . . . 0.0 113.95 -177.701 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 12.0 mmmm 65.86 97.39 0.04 OUTLIER Pre-proline 0 CA--C 1.554 1.097 1 CA-C-N 107.242 -4.526 . . . . 0.0 110.304 -177.908 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 23.1 Cg_endo . . . . . 0 C--N 1.367 1.514 0 C-N-CA 121.158 1.239 . . . . 0.0 109.62 177.455 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.224 -0.28 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 61.5 t -124.25 84.53 55.89 Favored Pre-proline 0 CA--C 1.54 0.595 0 O-C-N 125.576 1.798 . . . . 0.0 107.056 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 5.9 Cg_endo -68.09 163.46 35.85 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 122.827 0.909 . . . . 0.0 114.015 -179.163 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 69.9 Cg_exo -37.63 154.94 0.03 OUTLIER 'Trans proline' 0 C--N 1.367 1.542 0 C-N-CA 125.134 3.889 . . . . 0.0 118.928 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -75.43 120.4 5.92 Favored 'Trans proline' 0 C--N 1.365 1.407 0 N-CA-C 106.032 -2.334 . . . . 0.0 106.032 175.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 2.6 t -66.07 137.86 95.97 Favored Pre-proline 0 CA--C 1.548 0.898 0 CA-C-N 112.092 -2.322 . . . . 0.0 110.474 -177.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 12.9 Cg_exo -60.16 156.82 37.78 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 123.256 1.134 . . . . 0.0 113.123 179.546 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -77.21 111.33 3.18 Favored 'Trans proline' 0 C--N 1.357 1.015 0 N-CA-C 108.549 -1.366 . . . . 0.0 108.549 177.082 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . 0.531 HH21 ' HB3' ' A' ' 14' ' ' ASP . 33.4 ttp85 -86.19 101.61 13.16 Favored 'General case' 0 C--N 1.351 0.667 0 CA-C-O 123.056 1.408 . . . . 0.0 108.503 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . 0.278 5.9 mmp_? -111.05 -97.86 0.41 Allowed 'General case' 0 N--CA 1.431 -1.38 0 CA-C-N 111.066 -2.788 . . . . 0.0 108.934 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 15.4 mmm180 67.48 127.25 0.02 OUTLIER 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 108.847 -3.797 . . . . 0.0 109.975 -179.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.337 0.064 0 CA-C-N 112.079 -2.328 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 57.9 ttp . . . . . 0 CA--C 1.537 0.464 0 CA-C-O 121.728 0.775 . . . . 0.0 110.644 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -88.68 115.46 26.23 Favored 'General case' 0 C--N 1.358 0.97 0 CA-C-N 112.41 -2.177 . . . . 0.0 108.782 179.359 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -103.02 142.22 34.47 Favored 'General case' 0 C--N 1.348 0.541 0 CA-C-N 111.675 -2.511 . . . . 0.0 109.465 -179.461 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.414 ' H ' HG13 ' A' ' 53' ' ' ILE . 16.2 mt -147.55 110.73 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.35 0.616 0 CA-C-N 112.47 -2.15 . . . . 0.0 107.796 -178.326 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -65.7 128.28 35.32 Favored 'General case' 0 CA--C 1.545 0.764 0 CA-C-O 122.378 1.085 . . . . 0.0 110.12 179.778 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 5.7 mtmp? -87.78 -25.89 23.14 Favored 'General case' 0 C--O 1.221 -0.41 0 CA-C-N 112.545 -2.116 . . . . 0.0 110.912 179.428 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 91.3 m-85 -138.09 166.59 23.75 Favored 'General case' 0 C--N 1.347 0.495 0 CA-C-O 123.751 1.738 . . . . 0.0 109.734 -179.112 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -85.19 132.96 34.21 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 109.608 -3.451 . . . . 0.0 106.622 179.352 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 21.2 t80 -139.24 157.89 45.12 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 111.966 -2.379 . . . . 0.0 111.214 -178.151 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.2 tppp? -134.13 118.83 18.13 Favored 'General case' 0 N--CA 1.442 -0.873 1 CA-C-N 108.391 -4.004 . . . . 0.0 106.019 178.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -50.18 154.09 1.28 Allowed 'General case' 0 C--N 1.359 1.001 0 CA-C-O 123.47 1.605 . . . . 0.0 113.003 179.101 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -104.01 -17.85 14.81 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-N 109.888 -3.324 . . . . 0.0 112.173 -179.164 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -151.96 175.98 11.96 Favored 'General case' 0 C--N 1.35 0.612 0 CA-C-N 114.212 -1.358 . . . . 0.0 109.148 -179.727 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -70.91 -27.69 63.97 Favored 'General case' 0 CA--C 1.547 0.832 0 CA-C-N 111.543 -2.571 . . . . 0.0 112.94 -178.598 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -80.0 -20.35 45.65 Favored 'General case' 0 CA--C 1.547 0.849 0 CA-C-N 115.06 -0.973 . . . . 0.0 110.731 178.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -97.82 155.18 17.17 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-N 113.484 -1.689 . . . . 0.0 108.01 178.226 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.3 pp -135.68 164.39 27.98 Favored 'General case' 0 C--N 1.351 0.674 0 CA-C-N 111.753 -2.476 . . . . 0.0 109.945 177.185 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 50.6 m -87.1 158.27 19.22 Favored 'General case' 0 N--CA 1.438 -1.071 0 CA-C-N 108.639 -3.891 . . . . 0.0 112.484 -176.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 24.7 p90 -159.5 151.82 21.09 Favored 'General case' 0 C--O 1.222 -0.356 0 CA-C-N 109.339 -3.573 . . . . 0.0 105.772 177.673 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 18.3 mmtt -110.77 146.23 36.73 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 112.846 -1.979 . . . . 0.0 106.513 -179.663 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 12.5 ttt85 -46.18 111.75 0.4 Allowed 'General case' 0 CA--C 1.554 1.116 0 O-C-N 124.798 1.311 . . . . 0.0 112.468 178.355 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 106.09 11.58 27.58 Favored Glycine 0 CA--C 1.532 1.128 0 CA-C-N 111.473 -2.603 . . . . 0.0 114.401 179.08 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 40.6 m-20 -79.11 144.44 34.54 Favored 'General case' 0 C--N 1.366 1.313 0 C-N-CA 116.133 -2.227 . . . . 0.0 109.554 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 71.7 mt -100.98 124.11 54.41 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.576 0 N-CA-C 105.722 -1.955 . . . . 0.0 105.722 178.64 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.3 mp -114.76 161.78 17.72 Favored 'General case' 0 C--N 1.354 0.765 0 CA-C-N 113.174 -1.83 . . . . 0.0 109.628 -178.416 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 81.4 tttt -111.5 111.58 22.7 Favored 'General case' 0 C--O 1.217 -0.651 0 CA-C-N 110.301 -3.136 . . . . 0.0 110.09 178.178 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 70.2 t -89.79 104.26 14.95 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.362 0 N-CA-C 106.745 -1.576 . . . . 0.0 106.745 -177.596 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -90.45 -32.43 16.4 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-N 110.564 -3.016 . . . . 0.0 109.765 -177.892 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 43.2 t30 -142.25 156.42 45.29 Favored 'General case' 0 CA--C 1.548 0.882 0 CA-C-N 114.084 -1.417 . . . . 0.0 109.35 -179.631 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -160.9 50.22 0.25 Allowed 'General case' 0 CA--C 1.546 0.818 0 CA-C-N 113.475 -1.693 . . . . 0.0 109.434 -179.329 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -138.81 103.71 4.89 Favored 'General case' 0 N--CA 1.435 -1.208 0 N-CA-C 105.162 -2.162 . . . . 0.0 105.162 -178.387 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 4.9 m 172.28 -45.28 0.01 OUTLIER 'General case' 0 C--O 1.225 -0.188 0 CA-C-N 110.88 -2.873 . . . . 0.0 105.478 -178.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.489 ' CB ' ' HD2' ' B' ' 10' ' ' ARG . 36.5 t0 -171.03 168.51 6.91 Favored 'General case' 0 C--N 1.354 0.766 0 CA-C-N 111.908 -2.405 . . . . 0.0 108.895 179.548 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.436 ' CB ' ' HZ3' ' A' ' 50' ' ' LYS . 97.4 mm-40 -72.4 -67.58 0.54 Allowed 'General case' 0 C--N 1.35 0.622 0 CA-C-N 113.44 -1.709 . . . . 0.0 107.051 177.754 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.457 ' HA ' ' HZ1' ' A' ' 50' ' ' LYS . 23.2 m120 -44.73 -22.27 0.08 Allowed 'General case' 0 C--O 1.215 -0.718 1 C-N-CA 133.656 4.783 . . . . 0.0 112.31 178.284 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 70.0 m95 -138.48 117.61 12.61 Favored 'General case' 0 C--N 1.345 0.404 0 C-N-CA 118.039 -1.464 . . . . 0.0 109.685 178.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.417 ' O ' ' HA ' ' A' ' 47' ' ' PHE . 24.4 m-85 -102.05 168.63 9.27 Favored 'General case' 0 C--O 1.215 -0.739 0 CA-C-N 110.677 -2.965 . . . . 0.0 106.607 177.665 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 53.1 tttm -123.89 111.94 16.66 Favored 'General case' 0 N--CA 1.448 -0.527 0 O-C-N 125.809 1.943 . . . . 0.0 106.334 179.399 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -133.9 -179.1 5.33 Favored 'General case' 0 C--N 1.352 0.698 0 CA-C-N 114.277 -1.329 . . . . 0.0 110.553 -177.494 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -122.98 150.38 43.07 Favored 'General case' 0 C--N 1.354 0.795 0 CA-C-O 123.804 1.764 . . . . 0.0 111.518 -177.569 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . 0.27 12.1 mt -159.79 169.2 24.12 Favored 'General case' 0 CA--C 1.503 -0.848 0 CA-C-N 109.129 -3.668 . . . . 0.0 109.707 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . 0.308 1.0 OUTLIER 45.36 -81.85 0.0 OUTLIER 'General case' 0 N--CA 1.438 -1.03 0 CA-C-N 109.056 -3.702 . . . . 0.0 114.456 171.483 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -160.73 10.34 0.13 Allowed Glycine 0 CA--C 1.537 1.424 1 CA-C-N 108.015 -4.175 . . . . 0.0 111.584 178.677 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -137.49 139.71 40.72 Favored 'General case' 0 C--N 1.357 0.898 0 CA-C-O 122.003 0.906 . . . . 0.0 110.445 -179.736 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -102.15 138.01 39.66 Favored 'General case' 0 CA--C 1.559 1.289 0 N-CA-C 105.209 -2.145 . . . . 0.0 105.209 176.053 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -169.58 176.21 43.57 Favored Glycine 0 C--N 1.349 1.259 0 C-N-CA 119.53 -1.319 . . . . 0.0 112.775 -177.534 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.417 ' HA ' ' O ' ' A' ' 37' ' ' TYR . 96.5 m-85 -80.4 144.77 32.41 Favored 'General case' 0 C--N 1.354 0.775 0 CA-C-N 113.285 -1.457 . . . . 0.0 111.901 -179.462 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 25.5 pt -139.15 139.14 22.24 Favored Pre-proline 0 CA--C 1.553 1.082 0 CA-C-N 113.456 -1.702 . . . . 0.0 109.281 -179.611 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.41 ' HA ' ' O ' ' A' ' 35' ' ' ASN . 5.2 Cg_exo -66.89 145.11 73.34 Favored 'Trans proline' 0 CA--C 1.558 1.694 0 C-N-CA 122.296 1.997 . . . . 0.0 115.115 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.457 ' HZ1' ' HA ' ' A' ' 35' ' ' ASN . 27.7 mtmm -69.49 -38.65 77.75 Favored 'General case' 0 C--N 1.378 1.843 0 C-N-CA 113.996 -3.081 . . . . 0.0 112.679 178.594 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 20.5 p-10 -58.83 -19.41 41.11 Favored 'General case' 0 CA--C 1.553 1.062 0 N-CA-C 114.42 1.267 . . . . 0.0 114.42 -179.768 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 12.4 m-85 -95.02 -5.95 43.36 Favored 'General case' 0 C--N 1.354 0.766 0 N-CA-C 114.263 1.209 . . . . 0.0 114.263 -179.614 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.475 HG12 ' SD ' ' A' ' 55' ' ' MET . 0.1 OUTLIER -129.55 162.19 37.59 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.892 0 CA-C-O 123.171 1.462 . . . . 0.0 110.714 -179.355 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -105.39 106.5 17.02 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-N 110.503 -3.044 . . . . 0.0 104.445 177.034 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' MET . . . . . 0.475 ' SD ' HG12 ' A' ' 53' ' ' ILE . 4.6 mpp? -91.07 149.39 21.84 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 112.78 -2.009 . . . . 0.0 110.295 179.853 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 51.0 mtmt -153.47 81.99 4.82 Favored Pre-proline 0 CA--C 1.548 0.888 0 CA-C-N 112.999 -1.91 . . . . 0.0 111.131 -179.167 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 95.2 Cg_endo . . . . . 0 C--N 1.371 1.726 0 C-N-CA 122.297 1.998 . . . . 0.0 108.856 176.312 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.224 -0.265 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 2.5 m -69.66 120.55 78.13 Favored Pre-proline 0 N--CA 1.432 -1.338 0 O-C-N 124.644 1.215 . . . . 0.0 108.25 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -47.2 130.87 17.41 Favored 'Trans proline' 0 CA--C 1.578 2.686 0 N-CA-C 116.262 1.601 . . . . 0.0 116.262 -179.308 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_exo -46.29 162.09 0.14 Allowed 'Trans proline' 0 C--N 1.38 2.211 1 C-N-CA 125.977 4.452 . . . . 0.0 119.443 -177.477 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -77.01 113.55 3.64 Favored 'Trans proline' 0 C--N 1.361 1.225 0 N-CA-C 106.552 -2.134 . . . . 0.0 106.552 175.522 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 1.5 t -64.38 134.54 96.02 Favored Pre-proline 0 CA--C 1.56 1.336 0 CA-C-N 111.145 -2.752 . . . . 0.0 111.366 -177.118 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_exo -57.75 161.04 13.3 Favored 'Trans proline' 0 C--N 1.371 1.736 0 C-N-CA 122.47 2.114 . . . . 0.0 115.482 -179.028 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -76.65 118.0 4.71 Favored 'Trans proline' 0 C--N 1.362 1.262 0 C-N-CA 121.505 1.47 . . . . 0.0 109.64 177.288 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . 0.448 ' HD3' ' H ' ' B' ' 8' ' ' ARG . 0.0 OUTLIER -103.6 124.27 48.5 Favored 'General case' 0 C--N 1.349 0.572 0 CA-C-N 113.905 -1.498 . . . . 0.0 109.016 179.675 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 15.9 ptm180 -167.98 37.53 0.03 OUTLIER 'General case' 0 C--N 1.349 0.579 0 CA-C-N 112.008 -2.36 . . . . 0.0 109.837 179.747 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 10' ' ' ARG . . . . . 0.489 ' HD2' ' CB ' ' A' ' 33' ' ' ASP . 5.9 mtt-85 -116.94 90.12 3.26 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-N 111.322 -2.672 . . . . 0.0 109.977 -178.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.341 0.196 0 CA-C-N 112.585 -2.098 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.4 ttt . . . . . 0 CA--C 1.537 0.447 0 N-CA-C 106.414 -1.699 . . . . 0.0 106.414 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -62.68 119.04 8.5 Favored 'General case' 0 C--N 1.354 0.792 0 CA-C-N 113.275 -1.784 . . . . 0.0 110.67 -178.36 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.614 ' HB1' HD12 ' A' ' 53' ' ' ILE . . . -107.16 145.29 32.74 Favored 'General case' 0 N--CA 1.445 -0.675 0 CA-C-N 111.262 -2.699 . . . . 0.0 109.076 179.791 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 34.2 mt -145.02 114.52 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.351 0.643 0 CA-C-N 113.836 -1.529 . . . . 0.0 109.402 -178.734 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.46 ' HB3' ' H ' ' A' ' 22' ' ' GLY . . . -66.89 122.7 18.28 Favored 'General case' 0 CA--C 1.548 0.898 0 CA-C-N 114.605 -1.18 . . . . 0.0 110.203 178.227 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 23.7 mtmm -87.02 -24.59 24.59 Favored 'General case' 0 C--N 1.344 0.356 0 CA-C-N 113.768 -1.56 . . . . 0.0 110.676 179.257 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 78.7 m-85 -140.05 169.57 17.46 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 112.915 -1.948 . . . . 0.0 110.95 -178.735 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -83.78 122.73 29.06 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-N 109.266 -3.607 . . . . 0.0 107.011 179.637 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 33.2 t80 -138.89 150.27 45.78 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 112.786 -2.006 . . . . 0.0 111.185 -178.561 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 43.0 mttp -133.03 137.54 46.49 Favored 'General case' 0 N--CA 1.446 -0.649 0 CA-C-N 110.372 -3.104 . . . . 0.0 108.524 176.413 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -51.72 142.92 13.77 Favored 'General case' 0 C--N 1.346 0.443 0 CA-C-N 111.856 -2.429 . . . . 0.0 112.085 179.388 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 69.4 p -107.49 -51.16 2.95 Favored 'General case' 0 N--CA 1.448 -0.525 0 CA-C-N 110.95 -2.841 . . . . 0.0 107.391 178.261 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -88.85 173.84 8.3 Favored 'General case' 0 N--CA 1.445 -0.676 0 CA-C-N 111.976 -2.374 . . . . 0.0 109.024 179.136 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -87.6 -20.06 26.92 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-N 110.592 -3.004 . . . . 0.0 112.536 -179.134 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 16.0 p-10 -91.58 -8.2 48.05 Favored 'General case' 0 CA--C 1.548 0.885 0 CA-C-N 113.052 -1.886 . . . . 0.0 110.307 178.485 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -99.7 156.31 17.15 Favored 'General case' 0 C--N 1.351 0.643 0 CA-C-N 112.371 -2.195 . . . . 0.0 109.12 -179.29 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.9 pp -135.74 159.24 42.26 Favored 'General case' 0 C--N 1.351 0.638 0 CA-C-N 112.358 -2.201 . . . . 0.0 110.732 178.151 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 54.8 m -86.4 155.46 20.57 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 110.623 -2.989 . . . . 0.0 112.191 -176.749 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.418 ' HB3' HD11 ' A' ' 41' ' ' LEU . 37.2 p90 -159.65 146.18 16.3 Favored 'General case' 0 C--O 1.219 -0.525 0 CA-C-N 111.39 -2.641 . . . . 0.0 107.257 178.442 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 49.8 pttt -104.86 146.65 28.7 Favored 'General case' 0 C--O 1.224 -0.265 0 CA-C-N 113.4 -1.727 . . . . 0.0 106.782 179.675 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 5.5 tmm_? -46.05 100.96 0.02 OUTLIER 'General case' 0 CA--C 1.549 0.905 0 O-C-N 125.517 1.761 . . . . 0.0 111.698 178.692 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.46 ' H ' ' HB3' ' A' ' 5' ' ' ALA . . . 125.29 -3.69 8.29 Favored Glycine 0 C--N 1.352 1.452 0 CA-C-N 113.449 -1.705 . . . . 0.0 114.993 179.479 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 -74.61 142.83 44.57 Favored 'General case' 0 C--N 1.365 1.255 0 C-N-CA 116.409 -2.116 . . . . 0.0 109.704 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 45.4 mm -100.46 116.38 43.76 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.399 0 CA-C-N 111.774 -2.466 . . . . 0.0 105.283 179.261 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.909 HD12 ' HG ' ' A' ' 41' ' ' LEU . 0.2 OUTLIER -102.83 -177.45 3.38 Favored 'General case' 0 C--N 1.35 0.629 0 CA-C-N 113.735 -1.575 . . . . 0.0 109.758 -178.337 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 12.8 mmmt -129.47 110.13 11.62 Favored 'General case' 0 C--O 1.215 -0.715 0 CA-C-N 110.074 -3.239 . . . . 0.0 107.673 179.255 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.485 HG23 ' HB2' ' A' ' 3' ' ' ALA . 9.4 t -87.95 99.05 8.23 Favored 'Isoleucine or valine' 0 C--N 1.348 0.537 0 CA-C-O 124.307 2.003 . . . . 0.0 109.413 -176.511 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.1 mp -95.18 73.21 3.37 Favored 'General case' 0 CA--C 1.546 0.808 0 CA-C-N 108.405 -3.998 . . . . 0.0 109.573 178.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 . . . . . 0 CA--C 1.553 1.089 0 CA-C-N 113.392 -1.731 . . . . 0.0 113.6 177.627 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 28.8 m-20 . . . . . 0 CA--C 1.543 0.691 0 CA-C-O 119.039 -0.505 . . . . 0.0 110.841 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.413 ' CD1' ' HD3' ' B' ' 8' ' ' ARG . 60.5 m95 -138.61 140.08 38.81 Favored 'General case' 0 C--N 1.361 1.09 0 CA-C-O 121.929 0.871 . . . . 0.0 110.986 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.438 ' O ' ' HA ' ' A' ' 47' ' ' PHE . 11.8 m-85 -104.33 172.58 6.72 Favored 'General case' 0 C--O 1.218 -0.56 0 N-CA-C 106.079 -1.823 . . . . 0.0 106.079 177.142 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 83.9 tttt -128.21 83.64 2.17 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 103.613 -2.736 . . . . 0.0 103.613 177.011 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -105.86 -175.66 2.86 Favored 'General case' 0 C--N 1.358 0.936 0 CA-C-N 113.165 -1.834 . . . . 0.0 111.103 -176.777 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -131.11 145.0 51.83 Favored 'General case' 0 C--N 1.36 1.03 0 CA-C-O 123.394 1.569 . . . . 0.0 112.629 -178.819 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.909 ' HG ' HD12 ' A' ' 25' ' ' LEU 0.323 10.8 mt -160.73 137.62 8.93 Favored 'General case' 0 C--N 1.351 0.663 0 CA-C-N 109.933 -3.303 . . . . 0.0 114.051 178.732 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 55.75 32.45 19.49 Favored 'General case' 0 CA--C 1.545 0.785 0 CA-C-N 110.618 -2.992 . . . . 0.0 114.387 170.923 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 75.2 17.57 80.2 Favored Glycine 0 C--N 1.354 1.562 0 CA-C-N 113.478 -1.692 . . . . 0.0 113.76 -179.69 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 28.9 mtpp -136.03 131.49 35.02 Favored 'General case' 0 C--N 1.353 0.74 0 N-CA-C 108.427 -0.953 . . . . 0.0 108.427 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -98.65 144.43 27.93 Favored 'General case' 0 CA--C 1.546 0.799 0 N-CA-C 105.095 -2.187 . . . . 0.0 105.095 177.327 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -173.41 172.34 45.12 Favored Glycine 0 C--N 1.343 0.939 0 C-N-CA 119.269 -1.443 . . . . 0.0 112.0 -178.22 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.438 ' HA ' ' O ' ' A' ' 37' ' ' TYR . 99.3 m-85 -81.05 138.93 35.98 Favored 'General case' 0 C--N 1.347 0.461 0 CA-C-N 112.127 -2.037 . . . . 0.0 111.863 -179.426 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 47.2 pt -139.27 138.26 20.43 Favored Pre-proline 0 CA--C 1.545 0.788 0 CA-C-N 112.256 -2.247 . . . . 0.0 107.191 179.45 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -66.49 140.34 57.08 Favored 'Trans proline' 0 C--N 1.365 1.409 0 C-N-CA 121.624 1.549 . . . . 0.0 112.888 -179.64 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 84.4 mttt -72.1 -22.86 61.29 Favored 'General case' 0 C--N 1.358 0.951 0 C-N-CA 119.306 -0.957 . . . . 0.0 111.471 -179.176 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ASN . . . . . 0.409 HD22 ' HB2' ' B' ' 3' ' ' PRO . 7.6 p-10 -77.39 -19.97 55.39 Favored 'General case' 0 CA--C 1.546 0.812 0 CA-C-N 114.024 -1.444 . . . . 0.0 112.699 179.39 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.453 ' CE1' HG22 ' B' ' 5' ' ' VAL . 8.6 m-85 -92.31 -2.47 56.39 Favored 'General case' 0 CA--C 1.551 0.998 0 C-N-CA 118.745 -1.182 . . . . 0.0 112.846 178.05 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.614 HD12 ' HB1' ' A' ' 3' ' ' ALA . 0.1 OUTLIER -130.9 159.08 43.2 Favored 'Isoleucine or valine' 0 C--N 1.358 0.972 0 CA-C-O 122.514 1.149 . . . . 0.0 110.496 179.141 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 70.5 tt0 . . . . . 0 C--N 1.35 0.602 0 CA-C-N 111.703 -2.498 . . . . 0.0 105.461 176.694 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 87.5 t . . . . . 0 CA--C 1.551 0.986 0 N-CA-C 112.607 0.595 . . . . 0.0 112.607 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_exo -49.19 149.22 9.04 Favored 'Trans proline' 0 CA--C 1.56 1.796 0 C-N-CA 122.016 1.811 . . . . 0.0 115.283 -179.577 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 3' ' ' PRO . . . . . 0.409 ' HB2' HD22 ' A' ' 51' ' ' ASN . 85.6 Cg_exo -47.79 159.83 0.52 Allowed 'Trans proline' 0 C--N 1.367 1.506 0 C-N-CA 124.681 3.587 . . . . 0.0 118.071 -179.825 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 63.6 Cg_endo -80.91 120.99 3.93 Favored 'Trans proline' 0 C--N 1.363 1.318 0 N-CA-C 104.956 -2.748 . . . . 0.0 104.956 174.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 5' ' ' VAL . . . . . 0.453 HG22 ' CE1' ' A' ' 52' ' ' TYR . 1.8 t -66.74 137.84 95.13 Favored Pre-proline 0 CA--C 1.546 0.8 0 CA-C-N 111.479 -2.6 . . . . 0.0 110.262 -177.257 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_exo -60.4 150.51 80.37 Favored 'Trans proline' 0 C--N 1.359 1.128 0 N-CA-C 114.957 1.099 . . . . 0.0 114.957 -179.562 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -80.65 104.76 1.63 Allowed 'Trans proline' 0 C--N 1.359 1.111 0 N-CA-C 106.85 -2.019 . . . . 0.0 106.85 176.566 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 8' ' ' ARG . . . . . 0.413 ' HD3' ' CD1' ' A' ' 36' ' ' TRP . 2.2 tpt180 . . . . . 0 CA--C 1.548 0.871 0 CA-C-N 113.409 -1.723 . . . . 0.0 110.069 -178.039 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 32.1 tpp . . . . . 0 N--CA 1.448 -0.562 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 42.1 mm-40 -83.06 114.49 21.33 Favored 'General case' 0 C--N 1.349 0.551 0 CA-C-N 113.651 -1.613 . . . . 0.0 107.536 179.436 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.694 ' HB1' HD12 ' A' ' 53' ' ' ILE . . . -101.69 153.9 19.36 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 111.145 -2.752 . . . . 0.0 111.147 -177.505 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 63.0 mt -146.21 110.47 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.348 0.543 0 CA-C-N 112.661 -2.063 . . . . 0.0 108.728 -179.098 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -67.37 126.04 28.0 Favored 'General case' 0 CA--C 1.552 1.031 0 CA-C-N 114.7 -1.136 . . . . 0.0 108.929 177.595 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 39.6 mtmt -87.88 -23.96 23.8 Favored 'General case' 0 C--N 1.341 0.235 0 CA-C-N 113.822 -1.535 . . . . 0.0 111.818 179.676 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.563 ' CE1' ' HD3' ' B' ' 2' ' ' PRO . 64.9 m-85 -139.98 171.95 13.46 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 113.038 -1.892 . . . . 0.0 111.462 -178.251 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -85.92 133.89 33.92 Favored 'General case' 0 N--CA 1.444 -0.752 0 CA-C-N 109.127 -3.669 . . . . 0.0 104.259 177.391 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 28.1 t80 -140.41 149.06 42.15 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-N 110.134 -3.212 . . . . 0.0 110.689 -178.675 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.453 ' H ' ' HD2' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -132.79 126.4 32.29 Favored 'General case' 0 CA--C 1.537 0.481 0 CA-C-N 109.981 -3.282 . . . . 0.0 106.961 178.085 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -52.1 153.0 2.9 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-O 123.24 1.495 . . . . 0.0 112.723 179.633 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 18.2 p -109.54 -12.57 14.67 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 110.376 -3.102 . . . . 0.0 111.21 179.566 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -151.03 164.75 35.7 Favored 'General case' 0 C--N 1.349 0.55 0 CA-C-N 112.992 -1.913 . . . . 0.0 109.136 -178.651 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -66.17 -26.85 67.6 Favored 'General case' 0 CA--C 1.549 0.94 0 CA-C-N 111.944 -2.389 . . . . 0.0 112.294 -178.849 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -78.75 -18.59 53.98 Favored 'General case' 0 C--N 1.354 0.794 0 CA-C-N 113.828 -1.533 . . . . 0.0 112.202 179.815 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -98.96 158.0 15.94 Favored 'General case' 0 C--N 1.347 0.471 0 CA-C-N 113.257 -1.792 . . . . 0.0 107.736 179.65 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.51 HD12 ' O ' ' A' ' 18' ' ' SER . 0.2 OUTLIER -134.32 157.12 47.15 Favored 'General case' 0 C--N 1.35 0.588 0 CA-C-N 113.21 -1.814 . . . . 0.0 109.276 179.39 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.51 ' O ' HD12 ' A' ' 17' ' ' LEU . 49.7 m -86.81 157.88 19.48 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-N 110.78 -2.918 . . . . 0.0 111.65 -177.615 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 30.8 p90 -160.55 152.98 20.63 Favored 'General case' 0 C--O 1.22 -0.456 0 CA-C-N 111.717 -2.492 . . . . 0.0 107.147 177.163 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 39.5 mtmt -106.38 144.12 33.52 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-N 112.308 -2.224 . . . . 0.0 107.181 -179.61 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 6.1 tmm_? -45.94 102.41 0.03 OUTLIER 'General case' 0 CA--C 1.549 0.907 0 O-C-N 125.519 1.762 . . . . 0.0 111.184 177.827 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 123.52 -6.06 9.2 Favored Glycine 0 C--N 1.352 1.455 0 CA-C-N 113.544 -1.662 . . . . 0.0 114.596 179.592 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 71.2 m-20 -75.94 143.12 41.8 Favored 'General case' 0 C--N 1.365 1.248 0 C-N-CA 116.204 -2.198 . . . . 0.0 108.646 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 89.8 mt -98.18 126.99 51.08 Favored 'Isoleucine or valine' 0 C--N 1.341 0.206 0 N-CA-C 103.536 -2.764 . . . . 0.0 103.536 179.163 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.547 ' CD1' HD11 ' A' ' 41' ' ' LEU . 1.4 mm? -101.87 168.92 9.12 Favored 'General case' 0 CA--C 1.508 -0.661 0 CA-C-O 123.628 1.68 . . . . 0.0 110.198 -177.649 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 12.4 tmtt? -117.91 107.27 13.88 Favored 'General case' 0 C--O 1.215 -0.754 0 CA-C-N 108.593 -3.912 . . . . 0.0 108.832 -179.502 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 10.1 t -87.84 131.06 36.45 Favored 'Isoleucine or valine' 0 C--N 1.346 0.456 0 C-N-CA 116.265 -2.174 . . . . 0.0 108.173 -177.08 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 27.2 tp -143.94 80.95 1.67 Allowed 'General case' 0 N--CA 1.447 -0.612 0 CA-C-N 109.692 -3.413 . . . . 0.0 105.681 -177.265 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 80.3 m-20 . . . . . 0 C--N 1.349 0.578 0 CA-C-N 109.901 -3.318 . . . . 0.0 107.663 -177.883 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 42.4 m-80 . . . . . 0 N--CA 1.442 -0.842 0 CA-C-O 119.247 -0.406 . . . . 0.0 110.46 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 84.9 m95 -137.23 147.02 45.5 Favored 'General case' 0 C--N 1.357 0.898 0 CA-C-O 122.773 1.273 . . . . 0.0 110.691 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -129.59 149.71 51.23 Favored 'General case' 0 C--O 1.219 -0.519 0 CA-C-N 111.264 -2.698 . . . . 0.0 108.051 178.222 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 38.3 ttmt -103.42 116.21 31.99 Favored 'General case' 0 CA--C 1.536 0.412 0 N-CA-C 105.397 -2.075 . . . . 0.0 105.397 176.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -137.2 178.35 7.16 Favored 'General case' 0 C--N 1.351 0.663 0 C-N-CA 118.573 -1.251 . . . . 0.0 111.129 -179.425 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -129.74 146.93 51.48 Favored 'General case' 0 C--N 1.361 1.078 0 CA-C-O 123.016 1.388 . . . . 0.0 112.677 -177.261 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.547 HD11 ' CD1' ' A' ' 25' ' ' LEU 0.333 9.4 mt -161.11 138.45 9.04 Favored 'General case' 0 C--N 1.353 0.727 0 CA-C-N 110.15 -3.204 . . . . 0.0 112.681 178.66 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 56.29 28.76 13.83 Favored 'General case' 0 CA--C 1.549 0.921 0 CA-C-N 111.995 -2.366 . . . . 0.0 115.162 170.895 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 72.52 21.6 79.41 Favored Glycine 0 CA--C 1.541 1.695 0 CA-C-N 114.511 -1.222 . . . . 0.0 113.386 -179.468 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -137.08 114.71 11.16 Favored 'General case' 0 C--N 1.35 0.623 0 CA-C-N 113.64 -1.28 . . . . 0.0 108.118 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -97.5 137.9 35.74 Favored 'General case' 0 CA--C 1.551 0.991 0 CA-C-N 113.765 -1.561 . . . . 0.0 107.862 179.435 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -169.39 175.12 43.75 Favored Glycine 0 C--N 1.348 1.211 0 CA-C-N 113.574 -1.648 . . . . 0.0 112.493 -178.372 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -80.57 149.66 29.84 Favored 'General case' 0 CA--C 1.542 0.661 0 CA-C-N 113.622 -1.289 . . . . 0.0 111.345 179.521 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 31.2 pt -140.65 141.21 24.24 Favored Pre-proline 0 CA--C 1.549 0.923 0 CA-C-N 111.924 -2.398 . . . . 0.0 107.446 179.384 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 5.4 Cg_endo -74.06 144.79 34.44 Favored 'Trans proline' 0 C--N 1.362 1.288 0 C-N-CA 121.761 1.641 . . . . 0.0 113.1 179.447 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 36.6 mtmt -71.59 -33.19 68.82 Favored 'General case' 0 C--N 1.362 1.134 0 C-N-CA 116.431 -2.107 . . . . 0.0 112.308 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . 0.352 0.9 OUTLIER -69.34 -9.01 51.42 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 117.213 -1.795 . . . . 0.0 114.221 -179.872 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.403 ' CE1' HG22 ' B' ' 5' ' ' VAL . 15.1 m-85 -95.31 -4.76 44.96 Favored 'General case' 0 C--N 1.354 0.784 0 C-N-CA 119.407 -0.917 . . . . 0.0 112.253 177.39 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.694 HD12 ' HB1' ' A' ' 3' ' ' ALA . 0.1 OUTLIER -128.4 166.23 26.14 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.035 0 CA-C-O 123.125 1.441 . . . . 0.0 110.937 179.18 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.413 ' N ' ' CG1' ' A' ' 53' ' ' ILE . 36.1 tt0 . . . . . 0 CA--C 1.545 0.762 0 CA-C-N 110.6 -3.0 . . . . 0.0 106.132 177.475 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 1' ' ' VAL . . . . . 0.542 ' N ' ' HD2' ' B' ' 2' ' ' PRO 2.308 7.5 p . . . . . 0 CA--C 1.556 1.202 0 N-CA-C 115.377 1.621 . . . . 0.0 115.377 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 2' ' ' PRO . . . . . 0.563 ' HD3' ' CE1' ' A' ' 7' ' ' TYR 0.393 51.9 Cg_exo 10.25 113.21 0.0 OUTLIER 'Trans proline' 0 CA--C 1.563 1.971 1 C-N-CA 127.249 5.299 . . . . 0.0 119.74 -178.865 . . . . . . . . 4 3 . 1 . 002 nuclear build core ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo -40.31 158.47 0.04 OUTLIER 'Trans proline' 0 C--N 1.38 2.198 1 C-N-CA 125.381 4.054 . . . . 0.0 119.272 -177.319 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_endo -73.19 112.53 3.55 Favored 'Trans proline' 0 C--N 1.359 1.131 0 N-CA-C 105.213 -2.649 . . . . 0.0 105.213 175.63 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 5' ' ' VAL . . . . . 0.408 HG23 ' H ' ' B' ' 5' ' ' VAL . 2.4 t -57.94 135.8 83.66 Favored Pre-proline 0 CA--C 1.546 0.822 0 CA-C-N 111.322 -2.672 . . . . 0.0 109.547 -177.89 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 6' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' B' ' 5' ' ' VAL . 32.3 Cg_exo -56.87 160.86 11.4 Favored 'Trans proline' 0 C--N 1.362 1.254 0 N-CA-C 115.371 1.258 . . . . 0.0 115.371 -178.913 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -77.23 115.93 4.06 Favored 'Trans proline' 0 C--N 1.358 1.073 0 N-CA-C 108.204 -1.499 . . . . 0.0 108.204 176.585 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.35 0.618 0 CA-C-O 123.729 1.728 . . . . 0.0 106.904 178.89 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 51.5 ttm . . . . . 0 N--CA 1.448 -0.549 0 N-CA-C 106.095 -1.817 . . . . 0.0 106.095 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -81.02 120.66 25.08 Favored 'General case' 0 C--N 1.356 0.856 0 CA-C-N 112.711 -2.041 . . . . 0.0 107.137 179.513 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.656 ' HB1' HD12 ' A' ' 53' ' ' ILE . . . -103.13 142.33 34.32 Favored 'General case' 0 CA--C 1.535 0.404 0 CA-C-N 111.434 -2.621 . . . . 0.0 108.596 -178.552 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 87.4 mt -137.85 116.24 13.66 Favored 'Isoleucine or valine' 0 C--N 1.348 0.543 0 CA-C-N 113.248 -1.796 . . . . 0.0 109.379 -176.399 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -67.28 123.02 19.18 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 113.559 -1.655 . . . . 0.0 109.586 178.214 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 35.3 mtmt -88.04 -23.43 23.77 Favored 'General case' 0 C--N 1.343 0.32 0 CA-C-N 113.678 -1.601 . . . . 0.0 110.798 179.003 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.431 ' CG ' ' HB3' ' B' ' 2' ' ' PRO . 97.1 m-85 -139.98 168.82 18.93 Favored 'General case' 0 C--N 1.348 0.529 0 CA-C-N 113.22 -1.809 . . . . 0.0 111.576 -178.575 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -85.18 129.38 34.81 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 109.906 -3.315 . . . . 0.0 107.778 179.547 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 16.5 t80 -139.05 150.96 46.36 Favored 'General case' 0 C--N 1.348 0.537 0 CA-C-N 112.098 -2.319 . . . . 0.0 112.599 -177.865 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.506 ' H ' ' HD3' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -136.34 115.72 12.68 Favored 'General case' 0 CA--C 1.544 0.719 0 CA-C-N 108.571 -3.922 . . . . 0.0 107.417 178.492 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -50.31 163.28 0.17 Allowed 'General case' 0 N--CA 1.477 0.896 0 CA-C-N 113.591 -1.641 . . . . 0.0 114.293 -179.771 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.0 p -108.25 -17.08 14.1 Favored 'General case' 0 C--N 1.35 0.613 0 CA-C-N 110.465 -3.061 . . . . 0.0 112.112 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -152.42 176.4 11.69 Favored 'General case' 0 C--N 1.348 0.532 0 CA-C-N 113.321 -1.763 . . . . 0.0 111.301 -178.638 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -71.43 -24.3 62.01 Favored 'General case' 0 CA--C 1.55 0.965 0 CA-C-N 110.78 -2.918 . . . . 0.0 112.43 -179.11 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -80.28 -21.94 42.14 Favored 'General case' 0 CA--C 1.547 0.84 0 CA-C-N 114.385 -1.279 . . . . 0.0 111.545 179.026 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -99.76 157.19 16.67 Favored 'General case' 0 C--N 1.349 0.577 0 CA-C-N 113.145 -1.843 . . . . 0.0 108.464 179.24 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . 0.29 3.7 pp -137.73 161.42 36.57 Favored 'General case' 0 C--N 1.351 0.669 0 CA-C-O 124.155 1.931 . . . . 0.0 111.976 177.863 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 31.1 m -86.85 150.73 23.91 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-N 109.013 -3.721 . . . . 0.0 113.37 -176.367 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 43.6 p90 -160.42 142.92 13.08 Favored 'General case' 0 C--O 1.217 -0.654 0 CA-C-N 109.564 -3.471 . . . . 0.0 106.134 178.415 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -106.3 153.39 22.25 Favored 'General case' 0 C--O 1.222 -0.384 0 N-CA-C 104.842 -2.281 . . . . 0.0 104.842 179.349 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 34.1 ttp85 -47.39 111.44 0.41 Allowed 'General case' 0 CA--C 1.547 0.864 0 O-C-N 124.776 1.298 . . . . 0.0 112.151 178.473 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 114.38 -3.85 23.5 Favored Glycine 0 C--N 1.346 1.132 0 CA-C-N 112.486 -2.143 . . . . 0.0 114.198 179.393 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -75.63 145.03 41.39 Favored 'General case' 0 C--N 1.369 1.414 0 C-N-CA 115.802 -2.359 . . . . 0.0 108.833 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -97.65 125.65 50.76 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.127 0 CA-C-N 112.342 -2.208 . . . . 0.0 107.151 178.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.62 ' HB2' ' HB3' ' A' ' 3' ' ' ALA . 0.4 OUTLIER -104.32 176.31 5.2 Favored 'General case' 0 C--N 1.352 0.68 0 CA-C-N 113.062 -1.881 . . . . 0.0 109.225 -179.287 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 48.9 tptt -130.0 109.08 10.59 Favored 'General case' 0 C--O 1.215 -0.749 0 CA-C-N 109.503 -3.499 . . . . 0.0 108.817 -178.509 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 31.3 t -88.2 116.15 29.61 Favored 'Isoleucine or valine' 0 C--N 1.344 0.333 0 C-N-CA 117.967 -1.493 . . . . 0.0 109.613 -175.591 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 49.8 tp -93.41 -54.12 3.8 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 110.235 -3.166 . . . . 0.0 110.432 -179.654 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 74.8 m-20 . . . . . 0 C--N 1.355 0.844 0 CA-C-N 113.76 -1.564 . . . . 0.0 111.679 -178.483 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 28.3 m-20 . . . . . 0 CA--C 1.545 0.786 0 N-CA-C 108.79 -0.818 . . . . 0.0 108.79 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 68.1 m95 -133.12 161.77 33.53 Favored 'General case' 0 C--N 1.361 1.079 0 CA-C-O 122.306 1.05 . . . . 0.0 109.3 -179.295 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 -132.38 146.6 52.08 Favored 'General case' 0 C--N 1.348 0.509 0 CA-C-N 112.169 -2.287 . . . . 0.0 108.048 178.792 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 82.6 tttt -104.51 110.68 23.06 Favored 'General case' 0 C--N 1.35 0.627 0 N-CA-C 105.438 -2.06 . . . . 0.0 105.438 176.83 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -134.6 -176.45 4.23 Favored 'General case' 0 C--N 1.359 0.989 0 O-C-N 124.636 1.21 . . . . 0.0 109.921 -178.356 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 9.8 tm-20 -134.29 146.22 49.8 Favored 'General case' 0 C--N 1.363 1.153 0 CA-C-O 123.043 1.401 . . . . 0.0 112.859 -177.807 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.618 HD11 ' CD1' ' A' ' 25' ' ' LEU 0.351 10.6 mt -160.95 143.21 12.44 Favored 'General case' 0 C--N 1.35 0.601 0 CA-C-N 110.365 -3.107 . . . . 0.0 113.103 179.123 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 57.09 29.91 17.36 Favored 'General case' 0 CA--C 1.545 0.78 0 CA-C-N 110.969 -2.832 . . . . 0.0 115.252 171.09 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 80.56 8.96 87.0 Favored Glycine 0 C--N 1.351 1.402 0 CA-C-N 114.182 -1.372 . . . . 0.0 113.851 -179.589 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.86 135.43 39.76 Favored 'General case' 0 C--N 1.351 0.66 0 CA-C-O 121.923 0.868 . . . . 0.0 109.738 -178.627 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -97.71 144.51 27.27 Favored 'General case' 0 CA--C 1.546 0.808 0 N-CA-C 105.533 -2.025 . . . . 0.0 105.533 177.899 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -173.09 170.41 43.56 Favored Glycine 0 C--N 1.346 1.084 0 CA-C-N 114.174 -1.375 . . . . 0.0 112.204 -178.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -80.67 142.61 33.77 Favored 'General case' 0 C--N 1.348 0.503 0 CA-C-N 112.374 -1.913 . . . . 0.0 111.213 179.713 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 28.2 pt -138.9 142.61 34.25 Favored Pre-proline 0 CA--C 1.546 0.807 0 CA-C-N 111.114 -2.766 . . . . 0.0 106.202 179.35 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 0.9 OUTLIER -71.91 145.14 44.73 Favored 'Trans proline' 0 C--N 1.362 1.284 0 C-N-CA 121.329 1.352 . . . . 0.0 112.283 179.557 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 64.6 mttt -71.32 -24.21 62.08 Favored 'General case' 0 C--N 1.355 0.829 0 C-N-CA 118.038 -1.465 . . . . 0.0 112.538 -179.73 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ASN . . . . . 0.47 HD22 ' HB2' ' B' ' 3' ' ' PRO . 9.2 p-10 -76.96 -16.74 59.26 Favored 'General case' 0 CA--C 1.544 0.717 0 CA-C-N 113.969 -1.469 . . . . 0.0 113.049 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -93.7 -5.61 48.12 Favored 'General case' 0 CA--C 1.554 1.111 0 C-N-CA 118.812 -1.155 . . . . 0.0 113.304 178.687 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.656 HD12 ' HB1' ' A' ' 3' ' ' ALA . 0.1 OUTLIER -130.27 162.94 37.17 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.096 0 CA-C-O 123.26 1.505 . . . . 0.0 111.311 179.185 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 . . . . . 0 CA--C 1.544 0.736 0 CA-C-N 110.261 -3.154 . . . . 0.0 106.496 176.473 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 7.2 p . . . . . 0 CA--C 1.546 0.795 0 N-CA-C 107.535 -1.283 . . . . 0.0 107.535 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 2' ' ' PRO . . . . . 0.431 ' HB3' ' CG ' ' A' ' 7' ' ' TYR . 1.0 OUTLIER -71.02 164.56 35.32 Favored 'Trans proline' 0 CA--C 1.552 1.388 0 N-CA-C 114.885 1.071 . . . . 0.0 114.885 -178.428 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 3' ' ' PRO . . . . . 0.47 ' HB2' HD22 ' A' ' 51' ' ' ASN . 71.1 Cg_exo -42.0 155.7 0.09 OUTLIER 'Trans proline' 0 C--N 1.369 1.641 1 C-N-CA 125.325 4.017 . . . . 0.0 118.143 179.556 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -76.5 121.19 5.89 Favored 'Trans proline' 0 C--N 1.364 1.386 0 N-CA-C 105.72 -2.454 . . . . 0.0 105.72 176.062 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 5' ' ' VAL . . . . . 0.415 ' HA ' ' HD3' ' B' ' 6' ' ' PRO . 1.8 t -68.18 135.89 91.47 Favored Pre-proline 0 N--CA 1.44 -0.969 0 CA-C-N 111.267 -2.697 . . . . 0.0 110.793 -177.211 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 6' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' B' ' 5' ' ' VAL . 24.1 Cg_exo -60.85 160.65 24.46 Favored 'Trans proline' 0 C--N 1.36 1.15 0 C-N-CA 121.322 1.348 . . . . 0.0 114.751 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -83.12 110.71 1.81 Allowed 'Trans proline' 0 CA--C 1.547 1.157 0 C-N-CA 120.926 1.084 . . . . 0.0 109.847 176.616 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.349 0.578 0 N-CA-C 107.05 -1.463 . . . . 0.0 107.05 178.389 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.7 ptt? . . . . . 0 C--O 1.226 -0.161 0 CA-C-O 122.006 0.908 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -97.18 128.22 43.87 Favored 'General case' 0 C--N 1.352 0.696 0 CA-C-N 112.104 -2.316 . . . . 0.0 108.241 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.819 ' HB3' ' HB2' ' A' ' 25' ' ' LEU . . . -109.01 142.56 39.5 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 111.124 -2.762 . . . . 0.0 105.795 179.105 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 74.6 mt -140.26 122.17 15.56 Favored 'Isoleucine or valine' 0 C--N 1.35 0.619 0 CA-C-N 115.387 -0.824 . . . . 0.0 109.502 -177.637 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.401 ' HB3' ' H ' ' A' ' 22' ' ' GLY . . . -66.43 128.23 35.39 Favored 'General case' 0 CA--C 1.555 1.138 0 CA-C-O 122.481 1.134 . . . . 0.0 110.546 178.938 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.4 mmpt? -87.98 -32.5 18.82 Favored 'General case' 0 C--N 1.344 0.34 0 CA-C-N 112.667 -2.061 . . . . 0.0 111.06 179.749 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 -140.43 174.02 10.92 Favored 'General case' 0 C--N 1.344 0.363 0 O-C-N 126.014 2.072 . . . . 0.0 109.801 -178.767 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 57.1 t0 -87.97 135.1 33.56 Favored 'General case' 0 C--N 1.353 0.728 0 CA-C-N 112.173 -2.285 . . . . 0.0 106.452 179.133 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 28.5 t80 -140.49 149.68 42.81 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 110.883 -2.871 . . . . 0.0 111.286 -178.612 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 47.7 mmtm -133.88 123.31 24.5 Favored 'General case' 0 N--CA 1.455 -0.213 0 CA-C-N 110.75 -2.932 . . . . 0.0 108.076 177.119 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -52.14 155.66 1.86 Allowed 'General case' 0 N--CA 1.475 0.778 0 CA-C-N 112.56 -2.109 . . . . 0.0 113.515 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -120.44 2.79 10.78 Favored 'General case' 0 CA--C 1.548 0.866 0 CA-C-N 111.868 -2.424 . . . . 0.0 110.289 178.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -152.23 162.84 40.54 Favored 'General case' 0 C--N 1.35 0.611 0 CA-C-O 123.581 1.658 . . . . 0.0 110.033 -179.387 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -68.67 -23.36 64.39 Favored 'General case' 0 CA--C 1.55 0.954 0 CA-C-N 109.814 -3.357 . . . . 0.0 111.982 179.679 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -87.69 -18.73 28.88 Favored 'General case' 0 CA--C 1.545 0.783 0 CA-C-N 114.092 -1.413 . . . . 0.0 112.108 179.717 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -101.21 156.53 17.38 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 112.806 -1.997 . . . . 0.0 108.704 179.504 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . 0.345 4.3 pp -138.1 160.89 38.2 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 113.287 -1.779 . . . . 0.0 110.507 177.351 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . 0.259 47.1 m -85.43 157.4 20.49 Favored 'General case' 0 N--CA 1.445 -0.676 0 CA-C-N 109.72 -3.4 . . . . 0.0 112.128 -176.221 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 38.2 p90 -160.16 149.43 17.57 Favored 'General case' 0 C--O 1.222 -0.366 0 CA-C-N 109.705 -3.407 . . . . 0.0 106.92 177.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 14.2 mttt -106.74 143.77 34.37 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 111.706 -2.497 . . . . 0.0 106.324 -179.613 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.9 100.89 0.02 OUTLIER 'General case' 0 CA--C 1.551 1.002 0 O-C-N 125.072 1.483 . . . . 0.0 112.157 178.049 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.401 ' H ' ' HB3' ' A' ' 5' ' ' ALA . . . 119.85 3.83 11.96 Favored Glycine 0 C--N 1.352 1.451 0 CA-C-N 113.429 -1.714 . . . . 0.0 115.121 179.271 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 50.5 m-20 -74.64 151.5 39.31 Favored 'General case' 0 C--N 1.364 1.22 0 C-N-CA 116.903 -1.919 . . . . 0.0 108.623 179.387 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 4.2 pt -100.38 120.07 49.34 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.672 0 CA-C-N 112.448 -2.16 . . . . 0.0 106.959 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.819 ' HB2' ' HB3' ' A' ' 3' ' ' ALA 0.304 0.8 OUTLIER -104.45 161.43 14.1 Favored 'General case' 0 N--CA 1.446 -0.641 0 CA-C-N 111.98 -2.373 . . . . 0.0 112.386 -178.368 . . . . . . . . 4 4 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.426 ' HB3' ' HB3' ' A' ' 40' ' ' GLU . 26.7 tptp -110.9 125.66 53.89 Favored 'General case' 0 C--O 1.213 -0.84 1 CA-C-N 108.174 -4.103 . . . . 0.0 104.523 176.394 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.549 ' CG2' ' HB2' ' A' ' 3' ' ' ALA . 87.0 t -91.8 123.08 43.79 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.581 0 C-N-CA 116.296 -2.162 . . . . 0.0 106.482 -179.741 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 61.4 tp -93.52 -69.55 0.74 Allowed 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 113.341 -1.754 . . . . 0.0 111.222 -178.556 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 14.0 t30 . . . . . 0 C--N 1.354 0.772 0 CA-C-N 113.129 -1.85 . . . . 0.0 109.193 -179.327 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 68.7 m-80 . . . . . 0 CA--C 1.546 0.823 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 77.8 m95 -136.21 145.43 45.68 Favored 'General case' 0 C--N 1.362 1.122 0 O-C-N 124.134 0.896 . . . . 0.0 110.146 -178.732 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 19.8 m-85 -129.93 147.19 51.67 Favored 'General case' 0 C--N 1.351 0.648 0 CA-C-N 112.944 -1.934 . . . . 0.0 108.239 179.027 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 82.4 tttt -101.43 120.94 41.05 Favored 'General case' 0 C--N 1.349 0.553 0 N-CA-C 106.063 -1.828 . . . . 0.0 106.063 177.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -133.83 165.85 24.03 Favored 'General case' 0 C--N 1.356 0.851 0 O-C-N 124.199 0.937 . . . . 0.0 111.155 -178.066 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.426 ' HB3' ' HB3' ' A' ' 26' ' ' LYS . 15.1 tt0 -105.32 134.74 47.93 Favored 'General case' 0 C--N 1.367 1.35 0 O-C-N 124.781 1.301 . . . . 0.0 111.174 -178.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.564 HD11 HD11 ' A' ' 25' ' ' LEU 0.312 9.5 mt -162.12 142.03 9.93 Favored 'General case' 0 C--N 1.354 0.769 0 CA-C-N 111.028 -2.805 . . . . 0.0 113.149 178.333 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 54.57 42.32 31.37 Favored 'General case' 0 C--N 1.35 0.594 0 CA-C-N 110.334 -3.121 . . . . 0.0 114.542 170.751 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 68.4 14.01 66.08 Favored Glycine 0 CA--C 1.537 1.451 0 CA-C-N 113.177 -1.829 . . . . 0.0 114.322 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 10.7 mtmp? -134.98 178.36 7.08 Favored 'General case' 0 C--N 1.354 0.783 0 CA-C-O 121.928 0.871 . . . . 0.0 108.733 -179.48 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -142.18 138.1 31.29 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-N 112.597 -2.092 . . . . 0.0 107.36 179.195 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -170.84 173.48 44.58 Favored Glycine 0 C--N 1.348 1.198 0 C-N-CA 118.123 -1.989 . . . . 0.0 111.949 -178.415 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -79.6 141.9 36.14 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 112.204 -1.998 . . . . 0.0 111.907 -178.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 40.0 pt -137.96 137.61 21.68 Favored Pre-proline 0 CA--C 1.544 0.717 0 CA-C-N 111.781 -2.463 . . . . 0.0 106.925 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 1.7 Cg_endo -67.85 137.61 42.12 Favored 'Trans proline' 0 C--N 1.366 1.459 0 C-N-CA 121.068 1.179 . . . . 0.0 111.808 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 15.6 ptpt -71.56 -18.87 62.22 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 116.214 -2.194 . . . . 0.0 113.577 -179.3 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . 0.299 0.6 OUTLIER -80.96 -12.72 59.34 Favored 'General case' 0 C--N 1.36 1.055 0 C-N-CA 118.787 -1.165 . . . . 0.0 111.573 178.424 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.532 ' CE1' HG22 ' B' ' 5' ' ' VAL . 9.5 m-85 -93.16 4.52 53.85 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 119.533 -0.867 . . . . 0.0 112.181 176.438 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.713 ' CD1' ' HB1' ' A' ' 3' ' ' ALA . 0.1 OUTLIER -135.03 165.91 29.73 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.208 0 CA-C-O 122.623 1.201 . . . . 0.0 111.422 178.385 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 . . . . . 0 C--N 1.352 0.713 0 C-N-CA 128.464 2.706 . . . . 0.0 106.368 177.426 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 59.2 t . . . . . 0 CA--C 1.546 0.817 0 N-CA-C 107.855 -1.165 . . . . 0.0 107.855 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 22.6 Cg_exo -61.1 162.86 18.25 Favored 'Trans proline' 0 CA--C 1.558 1.693 0 C-N-CA 121.344 1.362 . . . . 0.0 113.99 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -45.15 157.77 0.22 Allowed 'Trans proline' 0 C--N 1.365 1.408 0 C-N-CA 125.04 3.827 . . . . 0.0 118.119 178.783 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -78.51 120.69 4.9 Favored 'Trans proline' 0 C--N 1.366 1.465 0 N-CA-C 105.93 -2.373 . . . . 0.0 105.93 175.237 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 5' ' ' VAL . . . . . 0.532 HG22 ' CE1' ' A' ' 52' ' ' TYR . 2.3 t -65.7 139.09 96.88 Favored Pre-proline 0 CA--C 1.546 0.801 0 CA-C-N 111.683 -2.508 . . . . 0.0 110.848 -177.311 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 26.0 Cg_exo -60.99 159.93 27.76 Favored 'Trans proline' 0 C--N 1.362 1.275 0 O-C-N 123.216 1.114 . . . . 0.0 112.421 178.195 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -76.39 110.52 3.08 Favored 'Trans proline' 0 CA--C 1.542 0.891 0 N-CA-C 107.777 -1.663 . . . . 0.0 107.777 176.864 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 3.4 tmt_? . . . . . 0 C--N 1.35 0.625 0 CA-C-N 114.079 -1.419 . . . . 0.0 108.529 -179.506 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.6 tpt . . . . . 0 N--CA 1.446 -0.644 0 N-CA-C 106.238 -1.764 . . . . 0.0 106.238 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -76.92 151.29 35.81 Favored 'General case' 0 C--N 1.355 0.818 0 N-CA-C 105.995 -1.854 . . . . 0.0 105.995 178.351 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.524 ' HB1' ' CD1' ' A' ' 53' ' ' ILE . . . -141.78 133.76 27.46 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-N 112.723 -2.035 . . . . 0.0 106.67 179.571 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 61.4 mt -142.07 122.8 11.72 Favored 'Isoleucine or valine' 0 C--N 1.351 0.648 0 CA-C-O 121.915 0.864 . . . . 0.0 109.987 -176.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -67.34 121.63 16.14 Favored 'General case' 0 CA--C 1.551 1.007 0 CA-C-N 112.995 -1.911 . . . . 0.0 111.591 178.817 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 35.1 mtmt -88.33 -22.28 23.93 Favored 'General case' 0 C--N 1.346 0.451 0 CA-C-N 113.404 -1.725 . . . . 0.0 110.185 178.189 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -138.61 168.91 18.76 Favored 'General case' 0 C--N 1.347 0.484 0 CA-C-N 112.807 -1.997 . . . . 0.0 109.491 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -92.81 126.75 38.04 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 111.072 -2.786 . . . . 0.0 106.333 178.751 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 35.6 t80 -140.25 154.37 46.84 Favored 'General case' 0 C--N 1.344 0.342 0 CA-C-N 112.515 -2.13 . . . . 0.0 111.13 -178.53 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 32.9 mmtp -132.91 128.69 37.1 Favored 'General case' 0 C--O 1.224 -0.265 0 CA-C-N 110.559 -3.018 . . . . 0.0 107.51 177.535 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -51.89 156.66 1.43 Allowed 'General case' 0 C--N 1.354 0.761 0 O-C-N 125.672 1.857 . . . . 0.0 113.329 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 26.9 p -109.14 -12.15 14.84 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 109.676 -3.42 . . . . 0.0 111.527 179.586 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -151.16 167.07 28.89 Favored 'General case' 0 C--N 1.349 0.582 0 CA-C-N 112.95 -1.932 . . . . 0.0 111.465 -177.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -67.83 -22.45 65.15 Favored 'General case' 0 CA--C 1.554 1.098 0 CA-C-N 109.727 -3.397 . . . . 0.0 112.832 -179.652 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -89.6 -16.58 30.25 Favored 'General case' 0 C--N 1.357 0.929 0 CA-C-N 115.113 -0.949 . . . . 0.0 111.428 179.377 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -100.57 157.41 16.68 Favored 'General case' 0 C--N 1.349 0.573 0 CA-C-N 113.074 -1.875 . . . . 0.0 108.355 179.347 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.431 HD23 ' C ' ' A' ' 45' ' ' ASP 0.278 4.1 pp -135.71 157.99 45.51 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 112.977 -1.92 . . . . 0.0 110.675 177.42 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 51.0 m -85.86 162.24 18.71 Favored 'General case' 0 N--CA 1.445 -0.689 0 CA-C-N 109.486 -3.506 . . . . 0.0 111.979 -176.742 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.431 ' HB3' ' CD1' ' A' ' 41' ' ' LEU . 29.7 p90 -160.06 153.89 22.87 Favored 'General case' 0 C--N 1.345 0.408 0 CA-C-N 110.159 -3.2 . . . . 0.0 107.986 177.552 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 32.4 mttt -107.86 139.01 43.09 Favored 'General case' 0 N--CA 1.446 -0.629 0 CA-C-N 111.462 -2.608 . . . . 0.0 105.666 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 4.6 tmt_? -46.18 101.3 0.02 OUTLIER 'General case' 0 CA--C 1.554 1.122 0 O-C-N 124.862 1.351 . . . . 0.0 111.941 177.749 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 115.7 12.72 9.23 Favored Glycine 0 C--N 1.352 1.466 0 CA-C-N 113.458 -1.701 . . . . 0.0 115.137 179.31 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 56.6 m-20 -73.02 161.09 31.09 Favored 'General case' 0 C--N 1.363 1.183 0 C-N-CA 117.742 -1.583 . . . . 0.0 109.7 179.042 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 88.8 mt -103.04 109.17 26.07 Favored 'Isoleucine or valine' 0 C--N 1.351 0.645 0 N-CA-C 104.565 -2.383 . . . . 0.0 104.565 177.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.476 ' HB2' ' HB3' ' A' ' 3' ' ' ALA . 3.9 mp -106.94 164.81 11.82 Favored 'General case' 0 C--N 1.348 0.53 0 CA-C-N 112.894 -1.957 . . . . 0.0 109.373 -177.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 28.6 mtpt -133.19 105.81 7.22 Favored 'General case' 0 C--O 1.218 -0.556 0 CA-C-N 110.8 -2.909 . . . . 0.0 110.815 178.713 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.475 HG23 ' HB2' ' A' ' 3' ' ' ALA . 14.9 t -88.46 108.79 19.15 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.628 0 N-CA-C 104.804 -2.295 . . . . 0.0 104.804 -179.083 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 67.7 tp -90.26 -33.91 15.96 Favored 'General case' 0 N--CA 1.446 -0.625 1 CA-C-N 108.055 -4.157 . . . . 0.0 109.611 -177.393 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 5.6 p30 . . . . . 0 C--N 1.348 0.526 0 CA-C-N 113.094 -1.866 . . . . 0.0 109.383 179.77 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 30.7 m-80 . . . . . 0 N--CA 1.444 -0.767 0 CA-C-O 118.981 -0.533 . . . . 0.0 109.862 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 56.8 m95 -138.32 137.24 37.2 Favored 'General case' 0 C--N 1.362 1.137 0 O-C-N 123.854 0.722 . . . . 0.0 110.119 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -112.82 148.54 34.64 Favored 'General case' 0 C--N 1.349 0.554 0 CA-C-N 114.327 -1.306 . . . . 0.0 108.559 178.544 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 76.6 tttt -102.03 93.53 5.3 Favored 'General case' 0 CA--C 1.538 0.498 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 177.824 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.422 ' HB2' HG22 ' A' ' 27' ' ' VAL . . . -105.31 -174.21 2.48 Favored 'General case' 0 C--N 1.356 0.867 0 CA-C-N 112.894 -1.957 . . . . 0.0 111.915 -177.891 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 6.7 tm-20 -130.08 134.54 47.43 Favored 'General case' 0 C--N 1.36 1.046 0 CA-C-N 114.081 -1.418 . . . . 0.0 109.922 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.431 ' CD1' ' HB3' ' A' ' 19' ' ' PHE 0.301 12.4 mt -161.06 141.83 11.38 Favored 'General case' 0 CA--C 1.508 -0.64 0 CA-C-N 111.789 -2.46 . . . . 0.0 112.515 177.549 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 54.24 38.53 29.48 Favored 'General case' 0 CA--C 1.546 0.791 0 CA-C-N 109.336 -3.575 . . . . 0.0 114.618 171.102 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 72.77 19.1 79.16 Favored Glycine 0 CA--C 1.538 1.498 0 CA-C-N 113.06 -1.882 . . . . 0.0 113.816 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 65.4 mttp -134.8 171.14 14.8 Favored 'General case' 0 C--N 1.354 0.761 0 N-CA-C 107.868 -1.16 . . . . 0.0 107.868 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.431 ' C ' HD23 ' A' ' 17' ' ' LEU . 4.4 p30 -140.91 139.5 34.36 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 113.172 -1.831 . . . . 0.0 106.651 179.231 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -177.83 177.23 48.33 Favored Glycine 0 C--N 1.346 1.124 0 C-N-CA 117.007 -2.521 . . . . 0.0 111.993 -177.331 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -79.85 139.63 37.1 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 111.691 -2.254 . . . . 0.0 110.237 -179.619 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -139.66 141.03 26.68 Favored Pre-proline 0 CA--C 1.54 0.59 0 CA-C-N 112.146 -2.297 . . . . 0.0 107.165 -179.69 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 11.4 Cg_endo -71.8 133.27 21.56 Favored 'Trans proline' 0 C--N 1.363 1.29 0 C-N-CA 121.715 1.61 . . . . 0.0 112.915 -179.173 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 17.5 pttp -72.49 -15.57 61.8 Favored 'General case' 0 CA--C 1.551 1.007 0 C-N-CA 116.603 -2.039 . . . . 0.0 113.91 -179.343 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . 0.311 0.6 OUTLIER -81.57 -8.83 59.77 Favored 'General case' 0 C--N 1.363 1.156 0 C-N-CA 117.726 -1.59 . . . . 0.0 111.74 177.814 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.476 ' CE1' HG22 ' B' ' 5' ' ' VAL . 10.2 m-85 -94.82 -9.5 34.25 Favored 'General case' 0 C--N 1.353 0.753 0 C-N-CA 119.628 -0.829 . . . . 0.0 111.754 177.498 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.524 ' CD1' ' HB1' ' A' ' 3' ' ' ALA . 0.1 OUTLIER -131.45 161.21 41.57 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.218 0 CA-C-O 123.05 1.405 . . . . 0.0 112.849 -179.366 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 62.6 tt0 . . . . . 0 CA--C 1.547 0.832 0 CA-C-N 111.059 -2.792 . . . . 0.0 103.932 174.933 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 7.5 p . . . . . 0 CA--C 1.551 0.993 0 N-CA-C 108.144 -1.058 . . . . 0.0 108.144 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 2' ' ' PRO . . . . . 0.482 ' HA ' ' HD3' ' B' ' 3' ' ' PRO 0.279 52.3 Cg_exo -48.37 129.21 18.98 Favored 'Trans proline' 0 CA--C 1.579 2.754 0 N-CA-C 115.956 1.483 . . . . 0.0 115.956 -179.043 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 3' ' ' PRO . . . . . 0.482 ' HD3' ' HA ' ' B' ' 2' ' ' PRO . 69.7 Cg_exo -43.1 162.14 0.05 OUTLIER 'Trans proline' 0 C--N 1.381 2.265 1 C-N-CA 126.708 4.939 . . . . 0.0 119.96 -177.297 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_endo -74.98 111.6 3.37 Favored 'Trans proline' 0 C--N 1.358 1.067 0 N-CA-C 106.728 -2.066 . . . . 0.0 106.728 175.424 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 5' ' ' VAL . . . . . 0.476 HG22 ' CE1' ' A' ' 52' ' ' TYR . 2.1 t -62.43 137.75 96.25 Favored Pre-proline 0 CA--C 1.552 1.048 0 CA-C-N 111.408 -2.633 . . . . 0.0 109.808 -178.365 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_exo -60.29 162.71 16.45 Favored 'Trans proline' 0 C--N 1.365 1.437 0 C-N-CA 121.109 1.206 . . . . 0.0 114.978 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_endo -83.84 111.74 1.73 Allowed 'Trans proline' 0 CA--C 1.55 1.289 0 N-CA-C 108.861 -1.246 . . . . 0.0 108.861 176.102 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.351 0.636 0 N-CA-C 107.13 -1.433 . . . . 0.0 107.13 178.289 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.6 ttt . . . . . 0 N--CA 1.445 -0.72 0 N-CA-C 104.582 -2.377 . . . . 0.0 104.582 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -70.6 111.94 6.48 Favored 'General case' 0 C--N 1.357 0.911 0 CA-C-O 123.772 1.748 . . . . 0.0 109.003 -178.801 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.697 ' HB1' HD12 ' A' ' 53' ' ' ILE . . . -100.41 141.95 32.56 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 110.29 -3.141 . . . . 0.0 106.623 -179.315 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 89.8 mt -136.93 109.77 7.83 Favored 'Isoleucine or valine' 0 C--N 1.345 0.399 0 CA-C-N 113.23 -1.804 . . . . 0.0 109.301 -176.386 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -66.82 122.21 17.19 Favored 'General case' 0 CA--C 1.542 0.661 0 CA-C-N 113.298 -1.774 . . . . 0.0 107.626 177.248 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 30.1 mtmt -87.16 -40.45 14.6 Favored 'General case' 0 C--O 1.222 -0.344 0 CA-C-N 114.547 -1.206 . . . . 0.0 110.241 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -107.48 168.05 9.51 Favored 'General case' 0 C--N 1.345 0.378 0 CA-C-N 112.486 -2.143 . . . . 0.0 109.79 -178.906 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 11.3 p-10 -96.19 128.26 42.94 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 110.554 -3.021 . . . . 0.0 105.392 178.564 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 21.0 t80 -138.74 150.47 46.17 Favored 'General case' 0 N--CA 1.446 -0.627 0 CA-C-N 112.926 -1.943 . . . . 0.0 109.267 -178.641 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 35.8 tptt -129.34 118.75 22.75 Favored 'General case' 0 N--CA 1.439 -0.987 0 CA-C-N 110.634 -2.985 . . . . 0.0 107.844 179.229 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -52.52 150.75 4.69 Favored 'General case' 0 C--N 1.356 0.854 0 CA-C-O 122.713 1.244 . . . . 0.0 113.439 178.714 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -119.4 7.92 11.29 Favored 'General case' 0 CA--C 1.545 0.761 0 CA-C-N 111.111 -2.768 . . . . 0.0 110.275 179.095 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -152.3 160.55 43.32 Favored 'General case' 0 C--N 1.354 0.782 0 CA-C-N 114.226 -1.352 . . . . 0.0 109.297 -179.441 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -68.94 -21.2 64.21 Favored 'General case' 0 CA--C 1.551 0.993 0 CA-C-N 112.033 -2.349 . . . . 0.0 113.649 -178.321 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -89.04 -18.37 27.46 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 113.648 -1.615 . . . . 0.0 112.345 -179.573 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -99.83 157.02 16.8 Favored 'General case' 0 CA--C 1.541 0.617 0 CA-C-N 113.208 -1.815 . . . . 0.0 109.643 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . 0.318 3.4 pp -137.19 158.08 45.24 Favored 'General case' 0 N--CA 1.475 0.778 0 CA-C-N 112.532 -2.122 . . . . 0.0 110.766 176.544 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 32.1 m -86.2 161.94 18.57 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 109.585 -3.461 . . . . 0.0 112.668 -175.893 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 23.9 p90 -160.85 164.08 31.59 Favored 'General case' 0 CA--C 1.543 0.692 0 CA-C-N 111.1 -2.773 . . . . 0.0 108.457 178.035 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 26.6 pttt -134.48 103.08 5.55 Favored 'General case' 0 C--N 1.353 0.734 0 CA-C-N 114.105 -1.407 . . . . 0.0 112.125 -178.218 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 3.78 54.95 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 130.575 3.55 . . . . 0.0 118.407 178.697 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 161.81 -0.31 0.06 OUTLIER Glycine 0 CA--C 1.526 0.733 0 CA-C-N 111.736 -2.483 . . . . 0.0 113.876 179.704 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 -75.38 146.01 41.17 Favored 'General case' 0 C--N 1.358 0.958 0 C-N-CA 116.445 -2.102 . . . . 0.0 108.625 179.278 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 90.1 mt -99.8 127.04 53.06 Favored 'Isoleucine or valine' 0 C--N 1.343 0.323 0 N-CA-C 105.307 -2.109 . . . . 0.0 105.307 179.086 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.653 ' HB2' ' HB3' ' A' ' 3' ' ' ALA . 0.8 OUTLIER -102.74 176.64 5.1 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 112.942 -1.935 . . . . 0.0 109.186 -178.733 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 13.0 ttpt -128.35 107.81 10.06 Favored 'General case' 0 C--O 1.218 -0.597 0 CA-C-N 109.774 -3.375 . . . . 0.0 108.562 -179.606 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.486 HG23 ' HB2' ' A' ' 3' ' ' ALA . 42.7 t -87.46 111.36 21.81 Favored 'Isoleucine or valine' 0 C--N 1.344 0.351 0 CA-C-O 123.791 1.758 . . . . 0.0 107.592 -176.71 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 55.3 tp -92.42 -40.75 10.69 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 108.969 -3.741 . . . . 0.0 111.34 -178.462 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 59.2 t30 . . . . . 0 C--N 1.358 0.949 0 C-N-CA 118.742 -1.183 . . . . 0.0 111.172 -179.013 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 47.0 m-20 . . . . . 0 N--CA 1.444 -0.735 0 CA-C-O 118.84 -0.6 . . . . 0.0 109.643 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 79.9 m95 -137.01 123.7 21.12 Favored 'General case' 0 C--N 1.36 1.054 0 CA-C-O 122.605 1.193 . . . . 0.0 111.376 -178.805 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 16.3 m-85 -106.08 147.82 28.49 Favored 'General case' 0 C--O 1.221 -0.413 0 CA-C-N 111.605 -2.543 . . . . 0.0 109.87 179.332 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 37.6 ttmt -102.31 102.12 12.45 Favored 'General case' 0 C--N 1.35 0.613 0 N-CA-C 106.475 -1.676 . . . . 0.0 106.475 177.752 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -116.83 -170.66 1.87 Allowed 'General case' 0 C--N 1.354 0.798 0 CA-C-N 113.658 -1.61 . . . . 0.0 110.123 -178.801 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -135.62 145.36 46.78 Favored 'General case' 0 C--N 1.357 0.912 0 CA-C-O 122.6 1.191 . . . . 0.0 113.171 -178.171 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.543 HD11 ' CD1' ' A' ' 25' ' ' LEU 0.306 8.4 mt -161.27 133.43 5.86 Favored 'General case' 0 C--N 1.349 0.581 0 CA-C-N 110.888 -2.869 . . . . 0.0 112.952 177.979 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 57.01 32.43 21.65 Favored 'General case' 0 CA--C 1.546 0.822 0 CA-C-N 112.357 -2.201 . . . . 0.0 114.768 170.851 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 73.74 18.02 79.4 Favored Glycine 0 CA--C 1.538 1.511 0 CA-C-N 113.745 -1.57 . . . . 0.0 113.732 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -134.8 128.24 32.4 Favored 'General case' 0 C--N 1.354 0.8 0 N-CA-C 107.779 -1.193 . . . . 0.0 107.779 179.587 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -99.85 147.67 25.26 Favored 'General case' 0 CA--C 1.547 0.853 0 CA-C-N 113.399 -1.728 . . . . 0.0 107.27 178.637 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -176.57 172.71 45.68 Favored Glycine 0 C--N 1.343 0.928 0 C-N-CA 118.539 -1.791 . . . . 0.0 112.968 -178.224 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 93.9 m-85 -79.91 137.18 36.83 Favored 'General case' 0 C--N 1.351 0.644 0 CA-C-N 112.132 -2.034 . . . . 0.0 110.89 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 44.6 pt -136.23 137.2 23.97 Favored Pre-proline 0 CA--C 1.544 0.714 0 CA-C-N 112.205 -2.271 . . . . 0.0 106.809 179.722 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 4.4 Cg_exo -69.2 144.89 58.58 Favored 'Trans proline' 0 C--N 1.365 1.414 0 C-N-CA 121.168 1.246 . . . . 0.0 113.179 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 44.8 mtmt -71.21 -32.12 68.44 Favored 'General case' 0 C--N 1.358 0.957 0 C-N-CA 116.6 -2.04 . . . . 0.0 112.218 179.451 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . 0.309 1.0 OUTLIER -72.32 -7.74 51.13 Favored 'General case' 0 C--N 1.358 0.963 0 C-N-CA 118.436 -1.306 . . . . 0.0 113.835 -179.606 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -94.98 -3.9 47.64 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 119.367 -0.933 . . . . 0.0 112.539 177.759 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.697 HD12 ' HB1' ' A' ' 3' ' ' ALA . 0.1 OUTLIER -128.88 168.02 22.99 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.898 0 CA-C-O 122.807 1.289 . . . . 0.0 109.919 179.656 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.411 ' N ' ' CG1' ' A' ' 53' ' ' ILE . 8.3 tp10 . . . . . 0 CA--C 1.54 0.571 0 CA-C-N 111.061 -2.79 . . . . 0.0 104.966 176.841 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 5.6 p . . . . . 0 CA--C 1.551 0.983 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 2' ' ' PRO . . . . . 0.406 ' HA ' ' HD3' ' B' ' 3' ' ' PRO 0.252 51.4 Cg_exo -48.9 125.75 13.62 Favored 'Trans proline' 0 CA--C 1.573 2.45 0 N-CA-C 115.535 1.321 . . . . 0.0 115.535 -179.352 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 3' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' B' ' 2' ' ' PRO . 85.2 Cg_exo -42.76 164.14 0.04 OUTLIER 'Trans proline' 0 C--N 1.379 2.167 1 C-N-CA 126.095 4.53 . . . . 0.0 119.454 -177.216 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_endo -76.47 112.15 3.4 Favored 'Trans proline' 0 C--N 1.36 1.144 0 N-CA-C 105.743 -2.445 . . . . 0.0 105.743 174.838 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 2.0 t -65.7 139.75 97.13 Favored Pre-proline 0 CA--C 1.547 0.858 0 CA-C-N 110.914 -2.857 . . . . 0.0 109.486 -178.443 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_exo -58.95 158.98 22.9 Favored 'Trans proline' 0 C--N 1.364 1.345 0 C-N-CA 120.651 0.9 . . . . 0.0 112.528 178.573 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_endo -75.28 112.37 3.53 Favored 'Trans proline' 0 CA--C 1.542 0.901 0 N-CA-C 108.763 -1.284 . . . . 0.0 108.763 177.28 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 58.5 ttp85 . . . . . 0 C--N 1.351 0.667 0 CA-C-N 114.268 -1.333 . . . . 0.0 107.572 179.93 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 49.5 ttm . . . . . 0 N--CA 1.44 -0.962 0 N-CA-C 106.686 -1.598 . . . . 0.0 106.686 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -76.11 99.17 4.57 Favored 'General case' 0 C--N 1.351 0.643 0 CA-C-N 111.406 -2.634 . . . . 0.0 107.898 179.637 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.641 ' HB1' HD12 ' A' ' 53' ' ' ILE . . . -99.93 141.36 32.85 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 111.992 -2.367 . . . . 0.0 106.63 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 70.3 mt -144.89 103.27 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.349 0.585 0 O-C-N 125.31 1.631 . . . . 0.0 110.044 -176.683 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.453 ' HB1' ' CD2' ' A' ' 19' ' ' PHE . . . -67.25 125.37 25.85 Favored 'General case' 0 CA--C 1.544 0.748 0 CA-C-N 113.678 -1.601 . . . . 0.0 108.016 176.783 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.28 -36.43 16.69 Favored 'General case' 0 C--N 1.355 0.815 0 C-N-CA 117.481 -1.687 . . . . 0.0 110.415 -179.585 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 58.6 m-85 -100.55 170.58 8.28 Favored 'General case' 0 C--N 1.343 0.319 0 CA-C-N 112.538 -2.119 . . . . 0.0 109.407 -177.897 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -97.05 135.83 38.48 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 112.08 -2.327 . . . . 0.0 107.015 178.636 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 12.0 t80 -136.98 152.56 50.29 Favored 'General case' 0 C--N 1.352 0.715 0 CA-C-O 124.951 2.31 . . . . 0.0 112.013 -178.505 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.456 ' H ' ' HD3' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -133.64 101.51 5.14 Favored 'General case' 0 N--CA 1.442 -0.858 1 CA-C-N 108.043 -4.162 . . . . 0.0 106.556 179.352 . . . . . . . . 4 4 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -52.56 166.44 0.19 Allowed 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 112.575 -2.102 . . . . 0.0 113.032 179.338 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 45.1 p -94.26 -31.85 13.91 Favored 'General case' 0 CA--C 1.543 0.681 0 CA-C-N 108.52 -3.946 . . . . 0.0 105.475 176.557 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 59.63 88.8 0.07 Allowed 'General case' 0 C--N 1.355 0.831 0 CA-C-N 110.364 -3.107 . . . . 0.0 113.62 177.863 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -137.0 24.63 3.03 Favored 'General case' 0 N--CA 1.436 -1.17 1 CA-C-N 106.797 -4.729 . . . . 0.0 107.029 178.218 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . 0.37 3.8 p-10 117.09 19.94 0.0 OUTLIER 'General case' 0 C--N 1.364 1.214 1 C-N-CA 131.734 4.014 . . . . 0.0 113.142 -179.323 . . . . . . . . 3 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -102.52 165.5 11.06 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 111.995 -2.366 . . . . 0.0 111.044 178.362 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . 0.368 0.0 OUTLIER -137.54 159.37 42.13 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-N 111.197 -2.729 . . . . 0.0 111.103 174.655 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 23.9 m -87.45 164.31 16.25 Favored 'General case' 0 CA--C 1.542 0.652 0 CA-C-N 109.95 -3.296 . . . . 0.0 112.616 -178.02 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.453 ' CD2' ' HB1' ' A' ' 5' ' ' ALA . 18.2 p90 -161.44 161.69 30.29 Favored 'General case' 0 C--N 1.349 0.573 0 CA-C-N 110.726 -2.943 . . . . 0.0 108.177 178.621 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -135.5 108.8 7.79 Favored 'General case' 0 C--N 1.348 0.532 0 O-C-N 124.304 1.002 . . . . 0.0 109.496 179.674 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 2.2 tmt_? 3.44 95.31 0.01 OUTLIER 'General case' 0 CA--C 1.551 1.015 0 C-N-CA 127.092 2.157 . . . . 0.0 114.681 179.566 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 121.03 8.58 7.88 Favored Glycine 0 CA--C 1.535 1.339 0 CA-C-N 113.061 -1.882 . . . . 0.0 115.013 179.039 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -76.5 139.38 40.77 Favored 'General case' 0 C--N 1.357 0.928 0 C-N-CA 118.354 -1.338 . . . . 0.0 109.753 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 77.8 mt -102.61 119.67 51.3 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.471 0 CA-C-N 112.389 -2.187 . . . . 0.0 105.731 178.549 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.559 ' HB2' ' HB3' ' A' ' 3' ' ' ALA . 1.9 mp -107.15 164.3 12.28 Favored 'General case' 0 C--N 1.349 0.586 0 CA-C-O 124.056 1.884 . . . . 0.0 111.961 -177.721 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 17.5 mmmt -107.69 105.73 15.73 Favored 'General case' 0 C--O 1.214 -0.786 0 CA-C-N 108.541 -3.936 . . . . 0.0 108.216 178.838 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.492 ' CG2' ' HB2' ' A' ' 3' ' ' ALA . 9.2 t -87.12 121.99 38.49 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 C-N-CA 114.398 -2.921 . . . . 0.0 108.967 -175.795 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 35.7 tp -92.13 -51.1 5.34 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 109.534 -3.484 . . . . 0.0 111.189 -178.018 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 67.4 t30 . . . . . 0 C--N 1.359 0.995 0 C-N-CA 118.049 -1.46 . . . . 0.0 112.267 -179.44 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 29.3 m-20 . . . . . 0 N--CA 1.447 -0.601 0 CA-C-O 118.232 -0.889 . . . . 0.0 112.026 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 56.3 m95 -137.97 128.77 26.93 Favored 'General case' 0 CA--C 1.554 1.104 0 CA-C-O 122.959 1.362 . . . . 0.0 111.713 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 21.4 m-85 -110.7 135.56 51.11 Favored 'General case' 0 C--O 1.221 -0.411 0 CA-C-N 112.574 -2.103 . . . . 0.0 108.27 178.808 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 38.0 ttpt -100.36 110.68 22.9 Favored 'General case' 0 C--N 1.35 0.608 0 N-CA-C 106.292 -1.744 . . . . 0.0 106.292 178.376 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -132.37 163.39 28.81 Favored 'General case' 0 C--N 1.353 0.734 0 CA-C-N 114.231 -1.35 . . . . 0.0 108.281 -178.906 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -104.09 138.19 40.96 Favored 'General case' 0 C--N 1.352 0.688 0 O-C-N 124.885 1.366 . . . . 0.0 110.077 -176.834 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . 0.37 12.5 mt -159.3 132.83 7.25 Favored 'General case' 0 CA--C 1.496 -1.097 0 CA-C-N 110.817 -2.901 . . . . 0.0 111.998 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 56.47 32.11 20.12 Favored 'General case' 0 CA--C 1.548 0.893 0 CA-C-N 110.967 -2.833 . . . . 0.0 112.498 171.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 73.79 23.34 76.79 Favored Glycine 0 C--N 1.354 1.56 0 CA-C-N 112.439 -2.164 . . . . 0.0 113.447 -179.425 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -135.16 116.03 14.06 Favored 'General case' 0 C--N 1.355 0.811 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 -179.566 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -95.82 128.39 42.66 Favored 'General case' 0 CA--C 1.539 0.543 0 N-CA-C 103.809 -2.663 . . . . 0.0 103.809 177.821 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -174.87 172.37 45.4 Favored Glycine 0 C--N 1.341 0.806 0 CA-C-N 114.079 -1.418 . . . . 0.0 111.547 -176.244 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 76.3 m-85 -79.57 144.76 33.58 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 112.082 -2.059 . . . . 0.0 112.089 -178.631 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 6.1 pt -141.67 148.21 48.86 Favored Pre-proline 0 CA--C 1.542 0.643 0 CA-C-N 112.099 -2.319 . . . . 0.0 107.046 178.824 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 4.3 Cg_endo -68.33 142.66 55.57 Favored 'Trans proline' 0 C--N 1.357 1.012 0 C-N-CA 121.606 1.537 . . . . 0.0 114.253 -179.477 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 26.0 mtmt -71.91 -26.3 62.25 Favored 'General case' 0 C--N 1.366 1.311 0 C-N-CA 116.63 -2.028 . . . . 0.0 111.1 179.095 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -68.96 -18.81 64.13 Favored 'General case' 0 C--N 1.361 1.089 0 C-N-CA 118.478 -1.289 . . . . 0.0 111.76 -179.795 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 11.3 m-85 -91.91 -4.64 54.45 Favored 'General case' 0 CA--C 1.554 1.127 0 CA-C-N 113.819 -1.537 . . . . 0.0 113.396 -178.552 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.641 HD12 ' HB1' ' A' ' 3' ' ' ALA . 0.2 OUTLIER -131.83 153.27 38.33 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.259 0 CA-C-O 122.276 1.036 . . . . 0.0 111.533 179.052 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 . . . . . 0 C--N 1.352 0.717 0 N-CA-C 104.262 -2.495 . . . . 0.0 104.262 174.939 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 60.7 t . . . . . 0 CA--C 1.545 0.763 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 2' ' ' PRO . . . . . 0.421 ' HA ' ' HD3' ' B' ' 3' ' ' PRO . 67.4 Cg_exo -53.92 147.13 43.51 Favored 'Trans proline' 0 CA--C 1.563 1.946 0 C-N-CA 121.831 1.687 . . . . 0.0 115.723 179.355 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 3' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' B' ' 2' ' ' PRO . 44.7 Cg_exo -58.49 161.65 14.03 Favored 'Trans proline' 0 C--N 1.367 1.512 0 C-N-CA 124.02 3.147 . . . . 0.0 116.141 179.168 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -74.61 125.35 9.47 Favored 'Trans proline' 0 C--N 1.368 1.56 0 C-N-CA 122.435 2.09 . . . . 0.0 106.694 175.836 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 5' ' ' VAL . . . . . 0.416 HG12 ' HD2' ' B' ' 6' ' ' PRO . 1.7 t -69.44 140.21 89.86 Favored Pre-proline 0 N--CA 1.45 -0.475 0 CA-C-N 111.348 -2.66 . . . . 0.0 111.98 -176.501 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 6' ' ' PRO . . . . . 0.416 ' HD2' HG12 ' B' ' 5' ' ' VAL . 19.7 Cg_exo -61.92 161.43 25.73 Favored 'Trans proline' 0 C--N 1.364 1.36 0 O-C-N 123.326 1.172 . . . . 0.0 113.942 179.497 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -88.91 109.93 0.51 Allowed 'Trans proline' 0 CA--C 1.548 1.176 0 C-N-CA 120.897 1.065 . . . . 0.0 109.819 176.17 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 3.7 ptm85 . . . . . 0 C--N 1.353 0.75 0 N-CA-C 106.769 -1.567 . . . . 0.0 106.769 178.298 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.9 ttm . . . . . 0 CA--C 1.539 0.522 0 N-CA-C 108.082 -1.081 . . . . 0.0 108.082 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -88.05 121.6 30.65 Favored 'General case' 0 C--N 1.353 0.724 0 CA-C-N 112.426 -2.17 . . . . 0.0 108.451 179.061 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.67 ' HB1' HD12 ' A' ' 53' ' ' ILE . . . -111.62 147.83 34.63 Favored 'General case' 0 C--N 1.347 0.479 0 CA-C-N 112.543 -2.117 . . . . 0.0 109.347 179.282 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 61.4 mt -145.73 109.47 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.351 0.658 0 CA-C-N 113.11 -1.859 . . . . 0.0 109.579 -177.578 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -67.3 120.06 13.19 Favored 'General case' 0 CA--C 1.544 0.723 0 CA-C-N 114.13 -1.395 . . . . 0.0 109.287 177.898 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 19.4 mtmt -89.36 -19.84 24.73 Favored 'General case' 0 C--N 1.344 0.356 0 CA-C-N 114.436 -1.256 . . . . 0.0 112.249 179.772 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 81.2 m-85 -140.36 167.77 21.37 Favored 'General case' 0 C--N 1.346 0.43 0 CA-C-N 113.253 -1.794 . . . . 0.0 110.223 -178.658 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 11.1 p-10 -86.06 127.01 34.59 Favored 'General case' 0 C--N 1.348 0.511 0 CA-C-N 110.866 -2.879 . . . . 0.0 107.162 179.274 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 34.4 t80 -139.65 152.76 47.02 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 112.187 -2.278 . . . . 0.0 111.698 -177.907 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 46.0 mttp -133.94 140.62 46.89 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-N 110.829 -2.896 . . . . 0.0 108.314 175.86 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -51.21 150.83 3.1 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 112.038 -2.346 . . . . 0.0 112.724 179.638 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 5.4 p -115.55 -6.17 12.22 Favored 'General case' 0 C--N 1.349 0.561 0 CA-C-N 111.844 -2.435 . . . . 0.0 111.118 179.189 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -151.55 173.28 14.8 Favored 'General case' 0 C--N 1.349 0.579 0 CA-C-N 113.106 -1.861 . . . . 0.0 110.003 -178.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -73.91 -24.84 59.75 Favored 'General case' 0 CA--C 1.551 1.016 0 CA-C-N 111.468 -2.605 . . . . 0.0 111.712 -179.464 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -86.86 -17.11 34.13 Favored 'General case' 0 C--N 1.353 0.733 0 CA-C-N 113.501 -1.682 . . . . 0.0 111.899 179.328 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -99.12 155.22 17.57 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 113.675 -1.602 . . . . 0.0 108.917 179.753 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.47 HD23 ' C ' ' A' ' 45' ' ' ASP . 3.5 pp -132.98 159.22 40.64 Favored 'General case' 0 N--CA 1.474 0.768 0 CA-C-N 112.886 -1.961 . . . . 0.0 111.356 178.194 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 45.7 m -86.97 156.68 19.69 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 109.809 -3.359 . . . . 0.0 111.802 -177.527 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.405 ' HB3' ' CD1' ' A' ' 41' ' ' LEU . 36.3 p90 -159.5 147.57 17.43 Favored 'General case' 0 C--O 1.219 -0.533 0 CA-C-N 111.069 -2.787 . . . . 0.0 107.699 177.927 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 37.2 mtmt -103.81 145.17 30.49 Favored 'General case' 0 N--CA 1.446 -0.635 0 CA-C-N 112.835 -1.984 . . . . 0.0 106.854 -179.162 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 4.5 tmt_? -46.13 100.75 0.02 OUTLIER 'General case' 0 CA--C 1.55 0.949 0 O-C-N 125.518 1.761 . . . . 0.0 111.788 178.363 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 123.96 0.75 8.97 Favored Glycine 0 C--N 1.353 1.474 0 CA-C-N 113.559 -1.655 . . . . 0.0 114.697 179.661 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 51.7 m-20 -74.58 142.31 44.67 Favored 'General case' 0 C--N 1.364 1.204 0 C-N-CA 117.647 -1.621 . . . . 0.0 109.209 179.525 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 52.1 mm -101.49 120.15 50.69 Favored 'Isoleucine or valine' 0 C--N 1.343 0.316 0 N-CA-C 104.178 -2.527 . . . . 0.0 104.178 178.291 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.556 ' HB2' ' HB3' ' A' ' 3' ' ' ALA . 2.9 mp -105.46 162.27 13.61 Favored 'General case' 0 C--N 1.349 0.571 0 CA-C-N 112.904 -1.953 . . . . 0.0 111.502 -176.553 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 12.0 tmtt? -105.28 100.01 9.6 Favored 'General case' 0 C--O 1.218 -0.594 0 CA-C-N 108.721 -3.854 . . . . 0.0 108.072 178.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.495 HG23 ' HB2' ' A' ' 3' ' ' ALA . 5.4 t -87.93 113.11 24.55 Favored 'Isoleucine or valine' 0 C--N 1.344 0.364 0 N-CA-C 105.723 -1.954 . . . . 0.0 105.723 -177.888 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 50.3 tp -89.29 -50.25 6.24 Favored 'General case' 0 N--CA 1.443 -0.797 0 CA-C-N 108.701 -3.863 . . . . 0.0 108.787 -177.018 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 16.7 p-10 . . . . . 0 CA--C 1.542 0.667 0 O-C-N 125.295 1.622 . . . . 0.0 109.385 178.961 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.49 ' O ' ' HA ' ' A' ' 49' ' ' PRO . 95.5 m-20 . . . . . 0 N--CA 1.441 -0.901 0 N-CA-C 114.587 1.328 . . . . 0.0 114.587 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 80.7 m95 -138.64 118.32 13.1 Favored 'General case' 0 C--N 1.343 0.286 0 CA-C-O 123.08 1.419 . . . . 0.0 109.878 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.431 ' O ' ' HA ' ' A' ' 47' ' ' PHE . 13.0 m-85 -101.16 170.84 7.99 Favored 'General case' 0 C--O 1.217 -0.616 0 CA-C-N 110.782 -2.917 . . . . 0.0 106.65 178.706 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 11.7 ttmm -123.78 110.06 14.44 Favored 'General case' 0 N--CA 1.446 -0.628 0 N-CA-C 104.286 -2.487 . . . . 0.0 104.286 177.503 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -134.65 174.79 10.17 Favored 'General case' 0 C--N 1.351 0.631 0 CA-C-N 114.177 -1.374 . . . . 0.0 111.056 -178.381 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 9.9 tm-20 -124.54 140.87 52.54 Favored 'General case' 0 C--N 1.355 0.816 0 CA-C-N 113.592 -1.64 . . . . 0.0 108.392 -178.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.405 ' CD1' ' HB3' ' A' ' 19' ' ' PHE 0.37 12.4 mt -159.52 145.1 15.85 Favored 'General case' 0 CA--C 1.493 -1.232 0 CA-C-N 110.967 -2.833 . . . . 0.0 112.271 -179.88 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . 0.311 1.0 OUTLIER 64.96 -73.82 0.06 Allowed 'General case' 0 N--CA 1.434 -1.258 1 CA-C-N 108.324 -4.034 . . . . 0.0 115.493 172.843 . . . . . . . . 4 3 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -164.55 20.1 0.13 Allowed Glycine 0 CA--C 1.529 0.961 0 CA-C-N 110.931 -2.85 . . . . 0.0 111.485 179.351 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -137.59 167.59 21.36 Favored 'General case' 0 C--N 1.349 0.552 0 CA-C-N 112.258 -1.971 . . . . 0.0 109.989 -179.464 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.47 ' C ' HD23 ' A' ' 17' ' ' LEU . 11.9 p-10 -141.97 131.68 24.15 Favored 'General case' 0 CA--C 1.551 1.002 0 CA-C-N 111.973 -2.376 . . . . 0.0 106.063 178.053 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -176.95 -178.77 46.95 Favored Glycine 0 C--N 1.355 1.634 0 C-N-CA 117.859 -2.115 . . . . 0.0 112.783 -176.483 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.431 ' HA ' ' O ' ' A' ' 37' ' ' TYR . 96.4 m-85 -80.16 143.5 33.81 Favored 'General case' 0 C--N 1.354 0.792 0 CA-C-N 112.678 -1.761 . . . . 0.0 111.703 -179.79 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -140.58 141.66 26.1 Favored Pre-proline 0 CA--C 1.555 1.161 0 CA-C-N 112.036 -2.347 . . . . 0.0 108.693 -179.768 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.49 ' HA ' ' O ' ' A' ' 35' ' ' ASN . 6.9 Cg_endo -71.97 144.2 42.38 Favored 'Trans proline' 0 C--N 1.371 1.732 0 C-N-CA 122.078 1.852 . . . . 0.0 115.404 -178.817 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 6.0 mtpm? -70.46 -35.58 73.39 Favored 'General case' 0 C--N 1.378 1.838 0 C-N-CA 114.596 -2.842 . . . . 0.0 113.388 179.563 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . 0.354 0.7 OUTLIER -67.95 -12.2 60.27 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 117.788 -1.565 . . . . 0.0 115.081 -178.947 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.45 ' CE1' HG22 ' B' ' 5' ' ' VAL . 9.3 m-85 -92.89 -3.63 54.26 Favored 'General case' 0 C--N 1.356 0.89 0 C-N-CA 118.531 -1.267 . . . . 0.0 112.189 177.53 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.67 HD12 ' HB1' ' A' ' 3' ' ' ALA . 0.1 OUTLIER -130.75 174.25 13.25 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.86 0 CA-C-O 122.831 1.301 . . . . 0.0 108.751 178.555 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.465 ' N ' ' CG1' ' A' ' 53' ' ' ILE . 30.0 tt0 . . . . . 0 N--CA 1.447 -0.609 0 CA-C-N 111.333 -2.667 . . . . 0.0 105.194 176.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 71.4 t . . . . . 0 CA--C 1.545 0.787 0 N-CA-C 107.61 -1.255 . . . . 0.0 107.61 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 2' ' ' PRO . . . . . 0.411 ' HA ' ' HD3' ' B' ' 3' ' ' PRO . 52.0 Cg_exo -52.21 148.49 24.7 Favored 'Trans proline' 0 CA--C 1.563 1.974 0 C-N-CA 121.613 1.542 . . . . 0.0 115.901 -179.69 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 3' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' B' ' 2' ' ' PRO . 85.8 Cg_exo -52.39 160.57 3.4 Favored 'Trans proline' 0 C--N 1.368 1.555 0 C-N-CA 125.07 3.847 . . . . 0.0 118.466 -179.688 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -81.37 118.73 3.29 Favored 'Trans proline' 0 C--N 1.362 1.251 0 N-CA-C 105.32 -2.608 . . . . 0.0 105.32 173.871 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 5' ' ' VAL . . . . . 0.45 HG22 ' CE1' ' A' ' 52' ' ' TYR . 2.3 t -58.97 139.89 87.04 Favored Pre-proline 0 CA--C 1.548 0.885 0 CA-C-N 112.033 -2.349 . . . . 0.0 110.794 -177.599 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -57.51 149.09 68.79 Favored 'Trans proline' 0 C--N 1.363 1.314 0 C-N-CA 120.938 1.092 . . . . 0.0 114.187 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -79.14 105.44 1.92 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 N-CA-C 107.776 -1.663 . . . . 0.0 107.776 177.302 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.538 0.485 0 CA-C-N 113.053 -1.885 . . . . 0.0 108.077 -179.208 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.469 ' SD ' HG11 ' A' ' 27' ' ' VAL . 17.1 ttm . . . . . 0 CA--C 1.543 0.708 0 N-CA-C 104.758 -2.312 . . . . 0.0 104.758 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -76.75 95.96 4.14 Favored 'General case' 0 C--N 1.365 1.281 0 CA-C-O 123.1 1.429 . . . . 0.0 108.063 -179.424 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.534 ' HB1' HD12 ' A' ' 53' ' ' ILE . . . -94.49 139.83 30.64 Favored 'General case' 0 N--CA 1.444 -0.726 0 CA-C-N 110.283 -3.144 . . . . 0.0 107.968 -174.925 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 84.5 mt -142.5 115.9 3.99 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.648 0 CA-C-N 111.355 -2.657 . . . . 0.0 109.481 -174.539 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -66.86 120.54 13.74 Favored 'General case' 0 CA--C 1.546 0.823 0 CA-C-N 113.329 -1.76 . . . . 0.0 108.091 177.499 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 36.4 mtmt -88.44 -18.74 27.66 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 114.74 -1.118 . . . . 0.0 112.563 -179.584 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 37.3 m-85 -139.69 168.65 19.34 Favored 'General case' 0 C--N 1.348 0.525 0 CA-C-N 113.496 -1.684 . . . . 0.0 109.754 -179.526 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -85.64 129.5 34.81 Favored 'General case' 0 C--N 1.352 0.708 0 CA-C-N 112.132 -2.304 . . . . 0.0 106.514 178.197 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 23.5 t80 -139.86 149.14 43.06 Favored 'General case' 0 C--N 1.345 0.394 0 CA-C-N 113.036 -1.893 . . . . 0.0 111.491 -179.387 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 55.3 mmtt -129.51 113.23 14.61 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 110.245 -3.161 . . . . 0.0 106.865 177.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -52.44 155.09 2.23 Favored 'General case' 0 C--N 1.348 0.508 0 CA-C-N 113.507 -1.679 . . . . 0.0 112.894 179.465 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 44.2 p -81.52 -25.51 35.89 Favored 'General case' 0 CA--C 1.549 0.926 0 CA-C-N 110.758 -2.928 . . . . 0.0 106.686 175.41 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 62.13 84.79 0.13 Allowed 'General case' 0 C--N 1.352 0.699 0 CA-C-N 110.445 -3.071 . . . . 0.0 112.128 179.27 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -133.41 17.24 4.02 Favored 'General case' 0 N--CA 1.44 -0.966 1 CA-C-N 106.67 -4.786 . . . . 0.0 107.702 178.77 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 16.8 p-10 118.56 15.45 0.0 OUTLIER 'General case' 0 C--N 1.367 1.339 0 C-N-CA 131.325 3.85 . . . . 0.0 111.238 -176.908 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 58.1 mt-10 -100.08 159.56 15.0 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 111.755 -2.475 . . . . 0.0 110.338 179.775 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . 0.397 0.0 OUTLIER -135.15 158.94 43.08 Favored 'General case' 0 N--CA 1.479 0.993 0 CA-C-N 112.171 -2.286 . . . . 0.0 111.518 176.394 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 37.8 m -86.17 161.29 18.92 Favored 'General case' 0 N--CA 1.445 -0.719 0 CA-C-N 109.563 -3.472 . . . . 0.0 111.798 -176.831 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 22.2 p90 -160.53 155.67 24.61 Favored 'General case' 0 C--N 1.345 0.41 0 CA-C-N 110.692 -2.958 . . . . 0.0 107.35 178.37 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 47.4 pttt -110.34 139.17 45.8 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 111.626 -2.534 . . . . 0.0 106.088 178.819 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 4.6 tmt_? -44.99 102.36 0.03 OUTLIER 'General case' 0 CA--C 1.551 0.981 0 O-C-N 125.408 1.693 . . . . 0.0 111.602 178.325 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 126.4 -1.84 7.63 Favored Glycine 0 C--N 1.35 1.361 0 CA-C-N 113.133 -1.849 . . . . 0.0 114.618 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -73.06 150.27 42.47 Favored 'General case' 0 C--N 1.364 1.202 0 C-N-CA 116.816 -1.954 . . . . 0.0 110.289 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 85.9 mt -103.43 118.57 50.67 Favored 'Isoleucine or valine' 0 C--N 1.347 0.466 0 N-CA-C 103.889 -2.634 . . . . 0.0 103.889 177.711 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.472 ' HB2' ' HB3' ' A' ' 3' ' ' ALA . 3.9 mp -112.08 174.64 5.78 Favored 'General case' 0 C--N 1.348 0.513 0 CA-C-N 113.448 -1.705 . . . . 0.0 109.233 -177.512 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 20.5 ttmt -129.95 99.59 5.15 Favored 'General case' 0 C--O 1.217 -0.651 0 CA-C-N 109.652 -3.431 . . . . 0.0 108.864 179.163 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.541 HG22 ' HB2' ' A' ' 39' ' ' ALA . 33.7 t -87.97 104.83 14.87 Favored 'Isoleucine or valine' 0 C--N 1.351 0.671 0 N-CA-C 102.693 -3.077 . . . . 0.0 102.693 -178.655 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.5 tt -90.43 -33.72 15.9 Favored 'General case' 0 N--CA 1.444 -0.726 1 CA-C-N 107.784 -4.28 . . . . 0.0 110.595 -175.862 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 59.6 m-20 . . . . . 0 C--N 1.351 0.673 0 CA-C-O 122.896 1.331 . . . . 0.0 109.152 178.686 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 31.4 m-20 . . . . . 0 N--CA 1.442 -0.861 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 62.7 m95 -139.74 130.03 25.33 Favored 'General case' 0 C--N 1.363 1.175 0 CA-C-O 122.877 1.323 . . . . 0.0 111.943 -179.033 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -104.9 177.97 4.69 Favored 'General case' 0 C--O 1.219 -0.518 0 CA-C-N 111.769 -2.469 . . . . 0.0 105.805 176.336 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -134.98 117.92 16.3 Favored 'General case' 0 CA--C 1.537 0.448 0 N-CA-C 105.697 -1.964 . . . . 0.0 105.697 178.323 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.541 ' HB2' HG22 ' A' ' 27' ' ' VAL . . . -136.05 173.83 11.28 Favored 'General case' 0 C--N 1.359 0.981 0 C-N-CA 118.109 -1.436 . . . . 0.0 111.198 -178.498 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -107.57 133.2 52.37 Favored 'General case' 0 C--N 1.355 0.831 0 O-C-N 125.676 1.86 . . . . 0.0 110.919 -178.824 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . 0.321 12.5 mt -161.01 133.41 6.04 Favored 'General case' 0 C--N 1.352 0.713 0 CA-C-N 112.503 -2.135 . . . . 0.0 113.494 178.008 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 55.46 33.33 20.74 Favored 'General case' 0 CA--C 1.547 0.835 0 CA-C-N 112.024 -2.353 . . . . 0.0 114.44 170.624 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 72.31 20.22 79.14 Favored Glycine 0 CA--C 1.537 1.419 0 CA-C-N 113.535 -1.666 . . . . 0.0 113.749 -179.568 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 41.9 mmtm -137.3 116.54 12.62 Favored 'General case' 0 C--N 1.356 0.86 0 N-CA-C 108.383 -0.969 . . . . 0.0 108.383 179.638 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -97.32 131.13 44.31 Favored 'General case' 0 CA--C 1.546 0.812 0 N-CA-C 104.577 -2.379 . . . . 0.0 104.577 177.87 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -174.34 177.79 46.4 Favored Glycine 0 C--N 1.343 0.926 0 CA-C-N 114.186 -1.37 . . . . 0.0 111.618 -176.104 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 63.2 m-85 -80.34 149.67 30.19 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 113.214 -1.493 . . . . 0.0 113.269 -178.682 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 26.7 pt -140.81 144.75 36.92 Favored Pre-proline 0 CA--C 1.555 1.146 0 CA-C-N 110.945 -2.843 . . . . 0.0 107.773 179.63 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 4.7 Cg_endo -75.55 155.94 40.49 Favored 'Trans proline' 0 C--N 1.366 1.449 0 C-N-CA 121.807 1.671 . . . . 0.0 114.475 179.259 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . 0.263 8.4 mmtt -68.73 -52.88 25.94 Favored 'General case' 0 C--N 1.353 0.731 0 CA-C-N 113.086 -1.87 . . . . 0.0 111.355 -179.105 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . 0.269 0.8 OUTLIER -67.23 -5.4 13.74 Favored 'General case' 0 CA--C 1.546 0.804 0 N-CA-C 115.239 1.57 . . . . 0.0 115.239 -179.078 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.487 ' CE1' HG22 ' B' ' 5' ' ' VAL . 13.5 m-85 -95.75 -12.53 25.25 Favored 'General case' 0 C--N 1.356 0.855 0 C-N-CA 117.665 -1.614 . . . . 0.0 113.76 178.415 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.534 HD12 ' HB1' ' A' ' 3' ' ' ALA . 0.1 OUTLIER -131.43 172.6 16.01 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.429 0 CA-C-O 122.582 1.182 . . . . 0.0 112.325 -178.533 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.522 ' N ' ' CG1' ' A' ' 53' ' ' ILE . 19.3 tp10 . . . . . 0 CA--C 1.559 1.326 0 CA-C-N 111.675 -2.511 . . . . 0.0 105.054 173.543 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 66.9 t . . . . . 0 CA--C 1.542 0.671 0 N-CA-C 107.155 -1.424 . . . . 0.0 107.155 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_exo -45.09 134.4 11.18 Favored 'Trans proline' 0 CA--C 1.571 2.365 0 C-N-CA 121.967 1.778 . . . . 0.0 115.421 -179.474 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 41.1 Cg_exo -39.34 161.37 0.02 OUTLIER 'Trans proline' 0 C--N 1.376 2.02 1 C-N-CA 125.858 4.372 . . . . 0.0 120.925 -177.546 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -75.22 113.57 3.81 Favored 'Trans proline' 0 C--N 1.358 1.07 0 N-CA-C 106.535 -2.141 . . . . 0.0 106.535 175.216 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 5' ' ' VAL . . . . . 0.487 HG22 ' CE1' ' A' ' 52' ' ' TYR . 2.3 t -63.31 137.13 96.99 Favored Pre-proline 0 CA--C 1.555 1.148 0 CA-C-N 111.481 -2.6 . . . . 0.0 110.058 -178.274 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 28.4 Cg_exo -61.79 160.72 27.82 Favored 'Trans proline' 0 C--N 1.363 1.296 0 N-CA-C 115.369 1.257 . . . . 0.0 115.369 -179.598 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -84.91 112.4 1.48 Allowed 'Trans proline' 0 CA--C 1.548 1.217 0 N-CA-C 108.783 -1.276 . . . . 0.0 108.783 175.894 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 6.7 ppt_? . . . . . 0 C--N 1.356 0.881 0 CA-C-N 114.758 -1.11 . . . . 0.0 109.964 179.66 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.695 ' SD ' HG21 ' A' ' 27' ' ' VAL . 0.0 OUTLIER . . . . . 0 CA--C 1.539 0.541 0 CA-C-O 123.092 1.425 . . . . 0.0 110.57 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 56.3 mt-10 -76.89 115.09 16.37 Favored 'General case' 0 C--N 1.355 0.826 0 CA-C-N 110.166 -3.197 . . . . 0.0 107.579 179.012 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.614 ' HB3' ' HB2' ' A' ' 25' ' ' LEU . . . -101.72 143.2 31.95 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 111.85 -2.432 . . . . 0.0 107.822 -179.417 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 38.9 mm -136.43 112.2 11.92 Favored 'Isoleucine or valine' 0 C--N 1.352 0.681 0 CA-C-N 113.581 -1.645 . . . . 0.0 110.511 -176.045 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -67.82 122.23 17.69 Favored 'General case' 0 CA--C 1.551 0.989 0 CA-C-N 114.41 -1.268 . . . . 0.0 109.677 177.596 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 30.4 mtmt -88.59 -25.88 22.23 Favored 'General case' 0 C--N 1.344 0.348 0 CA-C-N 114.193 -1.367 . . . . 0.0 112.353 179.729 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -137.5 173.32 11.79 Favored 'General case' 0 C--N 1.345 0.384 0 CA-C-N 113.675 -1.602 . . . . 0.0 109.767 -178.659 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -92.06 137.27 32.5 Favored 'General case' 0 C--N 1.351 0.65 0 CA-C-N 111.833 -2.44 . . . . 0.0 107.999 -179.665 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -138.4 141.66 39.59 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 111.533 -2.576 . . . . 0.0 110.296 -179.44 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.6 54.72 1.93 Allowed 'General case' 0 CA--C 1.547 0.845 0 CA-C-N 110.599 -3.001 . . . . 0.0 113.001 -177.486 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 9.06 141.09 0.0 OUTLIER 'General case' 0 N--CA 1.498 1.926 0 C-N-CA 129.473 3.109 . . . . 0.0 117.939 -177.647 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -94.89 -10.06 32.37 Favored 'General case' 0 C--N 1.355 0.818 0 CA-C-N 112.377 -2.192 . . . . 0.0 112.33 179.721 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -153.24 173.08 16.02 Favored 'General case' 0 C--N 1.353 0.754 0 CA-C-O 123.041 1.4 . . . . 0.0 111.114 -179.273 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -63.11 -30.09 71.32 Favored 'General case' 0 CA--C 1.548 0.899 0 CA-C-N 110.369 -3.105 . . . . 0.0 113.305 -178.697 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 13.1 p-10 -75.16 -26.41 59.09 Favored 'General case' 0 CA--C 1.545 0.767 0 CA-C-N 114.19 -1.368 . . . . 0.0 111.59 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -99.95 157.22 16.69 Favored 'General case' 0 C--N 1.349 0.567 0 CA-C-N 113.279 -1.782 . . . . 0.0 110.453 -178.62 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . 0.282 3.4 pp -136.41 160.41 38.83 Favored 'General case' 0 C--N 1.344 0.332 0 CA-C-N 111.439 -2.618 . . . . 0.0 110.251 176.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 13.4 m -86.0 158.56 19.83 Favored 'General case' 0 N--CA 1.437 -1.113 0 CA-C-N 108.585 -3.916 . . . . 0.0 111.506 -176.389 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 23.2 p90 -159.47 144.36 15.45 Favored 'General case' 0 C--O 1.222 -0.378 0 CA-C-N 109.388 -3.551 . . . . 0.0 103.799 178.64 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 40.0 mtmt -105.06 145.41 30.52 Favored 'General case' 0 N--CA 1.444 -0.727 0 N-CA-C 105.149 -2.167 . . . . 0.0 105.149 179.687 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 60.7 ttt180 -46.05 115.51 1.01 Allowed 'General case' 0 CA--C 1.551 0.991 0 O-C-N 125.134 1.521 . . . . 0.0 112.266 178.328 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 109.58 0.58 30.81 Favored Glycine 0 CA--C 1.532 1.103 0 CA-C-N 111.151 -2.75 . . . . 0.0 113.863 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 55.0 m-20 -78.7 145.8 34.32 Favored 'General case' 0 C--N 1.368 1.375 0 C-N-CA 116.476 -2.09 . . . . 0.0 108.865 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 71.0 mt -101.35 127.69 54.41 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.467 0 CA-C-N 113.15 -1.841 . . . . 0.0 106.929 -179.755 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.614 ' HB2' ' HB3' ' A' ' 3' ' ' ALA . 0.4 OUTLIER -104.98 179.79 4.17 Favored 'General case' 0 C--N 1.353 0.741 0 CA-C-N 113.627 -1.624 . . . . 0.0 110.468 -178.953 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.2 tmmm? -134.12 110.56 9.68 Favored 'General case' 0 C--O 1.215 -0.74 0 CA-C-N 109.761 -3.381 . . . . 0.0 108.808 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.695 HG21 ' SD ' ' A' ' 1' ' ' MET . 20.2 m -87.42 117.85 32.21 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.07 0 C-N-CA 115.772 -2.371 . . . . 0.0 110.911 -176.565 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 45.2 tp -90.91 -56.74 3.06 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 110.483 -3.053 . . . . 0.0 110.515 -177.393 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 77.1 m-20 . . . . . 0 C--N 1.351 0.649 0 O-C-N 125.435 1.709 . . . . 0.0 109.783 -179.655 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 29.5 m-20 . . . . . 0 CA--C 1.545 0.756 0 CA-C-O 118.797 -0.621 . . . . 0.0 109.494 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 75.5 m95 -137.01 126.55 25.17 Favored 'General case' 0 C--N 1.362 1.116 0 CA-C-O 122.958 1.361 . . . . 0.0 110.968 -178.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 15.5 m-85 -105.3 144.3 32.27 Favored 'General case' 0 C--O 1.219 -0.531 0 CA-C-N 111.077 -2.783 . . . . 0.0 108.957 179.234 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 81.8 tttt -103.86 109.71 21.55 Favored 'General case' 0 CA--C 1.538 0.491 0 N-CA-C 105.057 -2.201 . . . . 0.0 105.057 177.47 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -133.31 169.08 17.43 Favored 'General case' 0 C--N 1.357 0.895 0 O-C-N 124.529 1.143 . . . . 0.0 111.601 -176.444 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -105.13 147.55 27.82 Favored 'General case' 0 C--N 1.363 1.194 0 O-C-N 124.928 1.393 . . . . 0.0 111.675 -177.077 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.603 HD11 ' CD1' ' A' ' 25' ' ' LEU . 5.7 mt -161.22 119.0 2.34 Favored 'General case' 0 C--N 1.349 0.578 0 CA-C-N 109.709 -3.405 . . . . 0.0 113.344 178.108 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . 0.325 0.0 OUTLIER 60.07 31.24 20.52 Favored 'General case' 0 C--N 1.359 1.017 0 C-N-CA 114.109 -3.036 . . . . 0.0 117.631 172.572 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 62.75 23.38 65.29 Favored Glycine 0 CA--C 1.537 1.444 0 CA-C-N 114.197 -1.365 . . . . 0.0 112.215 -179.218 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -133.26 107.85 8.39 Favored 'General case' 0 N--CA 1.438 -1.055 0 N-CA-C 105.413 -2.069 . . . . 0.0 105.413 -179.631 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -99.52 136.09 39.96 Favored 'General case' 0 CA--C 1.558 1.26 0 CA-C-N 112.591 -2.095 . . . . 0.0 107.75 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -169.18 175.97 43.38 Favored Glycine 0 C--N 1.348 1.212 0 C-N-CA 120.125 -1.036 . . . . 0.0 112.698 -177.431 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -80.13 140.21 36.49 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 112.402 -1.899 . . . . 0.0 111.417 -179.639 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 35.3 pt -139.53 140.97 26.9 Favored Pre-proline 0 CA--C 1.544 0.737 0 CA-C-N 111.9 -2.409 . . . . 0.0 106.597 179.787 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 6.9 Cg_endo -72.28 146.61 45.9 Favored 'Trans proline' 0 C--N 1.361 1.212 0 C-N-CA 121.54 1.493 . . . . 0.0 113.263 -179.725 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 46.1 mtmt -71.36 -33.0 69.17 Favored 'General case' 0 C--N 1.361 1.105 0 C-N-CA 116.213 -2.195 . . . . 0.0 111.717 179.519 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . 0.309 1.6 p-10 -70.78 -10.36 59.35 Favored 'General case' 0 C--N 1.355 0.841 0 C-N-CA 118.298 -1.361 . . . . 0.0 114.12 -179.707 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -93.36 -4.55 51.32 Favored 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 118.469 -1.293 . . . . 0.0 111.505 177.112 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.611 HD12 ' HB1' ' A' ' 3' ' ' ALA . 0.1 OUTLIER -130.17 172.52 15.74 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.178 0 CA-C-O 122.45 1.119 . . . . 0.0 110.701 179.07 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.455 ' N ' ' CG1' ' A' ' 53' ' ' ILE . 37.8 tt0 . . . . . 0 CA--C 1.549 0.921 0 C-N-CA 128.589 2.755 . . . . 0.0 106.344 176.826 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 8.1 p . . . . . 0 CA--C 1.552 1.03 0 N-CA-C 114.368 1.247 . . . . 0.0 114.368 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 2' ' ' PRO . . . . . 0.423 ' HA ' ' HD3' ' B' ' 3' ' ' PRO . 50.6 Cg_exo -49.75 149.18 11.04 Favored 'Trans proline' 0 CA--C 1.56 1.805 0 C-N-CA 121.871 1.714 . . . . 0.0 115.811 -179.19 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 3' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' B' ' 2' ' ' PRO . 61.1 Cg_exo -52.6 159.67 4.51 Favored 'Trans proline' 0 C--N 1.367 1.526 0 C-N-CA 124.168 3.245 . . . . 0.0 116.502 179.471 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -75.25 123.24 7.6 Favored 'Trans proline' 0 C--N 1.365 1.423 0 N-CA-C 106.687 -2.082 . . . . 0.0 106.687 175.834 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 5' ' ' VAL . . . . . 0.406 ' HA ' ' HD3' ' B' ' 6' ' ' PRO . 1.7 t -68.01 137.84 92.29 Favored Pre-proline 0 CA--C 1.543 0.68 0 CA-C-N 111.491 -2.595 . . . . 0.0 112.15 -176.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 6' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' B' ' 5' ' ' VAL . 21.7 Cg_exo -59.29 161.69 16.13 Favored 'Trans proline' 0 C--N 1.363 1.301 0 C-N-CA 121.462 1.441 . . . . 0.0 114.345 179.139 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -82.36 113.28 2.32 Favored 'Trans proline' 0 CA--C 1.547 1.132 0 C-N-CA 121.005 1.137 . . . . 0.0 109.887 176.87 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 1.6 ppt_? . . . . . 0 C--N 1.351 0.668 0 CA-C-O 123.989 1.852 . . . . 0.0 108.791 178.233 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.7 ttm . . . . . 0 N--CA 1.436 -1.173 0 N-CA-C 106.269 -1.752 . . . . 0.0 106.269 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 56.9 mt-10 -98.87 97.14 8.37 Favored 'General case' 0 C--O 1.215 -0.74 0 N-CA-C 103.49 -2.782 . . . . 0.0 103.49 178.637 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.711 ' HB1' HD12 ' A' ' 53' ' ' ILE 0.288 . . -91.85 154.69 18.72 Favored 'General case' 0 C--N 1.354 0.78 0 C-N-CA 128.624 2.769 . . . . 0.0 115.219 -172.021 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 29.8 mm -136.51 118.03 19.23 Favored 'Isoleucine or valine' 0 C--N 1.359 1.019 0 CA-C-N 110.195 -3.184 . . . . 0.0 108.338 -177.544 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -66.58 131.48 46.09 Favored 'General case' 0 CA--C 1.539 0.554 0 N-CA-C 106.114 -1.81 . . . . 0.0 106.114 177.075 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 18.1 tttt -86.4 -37.22 18.6 Favored 'General case' 0 CA--C 1.512 -0.484 0 CA-C-N 111.652 -2.522 . . . . 0.0 112.465 -176.411 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.413 ' CG ' ' HB3' ' B' ' 2' ' ' PRO . 78.9 m-85 -138.61 172.35 13.01 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-N 110.809 -2.905 . . . . 0.0 108.382 -179.459 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -83.27 130.41 35.07 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 110.139 -3.209 . . . . 0.0 107.152 179.117 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 19.2 t80 -137.27 146.86 45.22 Favored 'General case' 0 C--N 1.349 0.567 0 CA-C-O 124.551 2.119 . . . . 0.0 111.959 -178.178 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 33.7 tptt -128.27 117.04 20.78 Favored 'General case' 0 N--CA 1.441 -0.925 0 CA-C-N 109.467 -3.515 . . . . 0.0 106.137 178.615 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -52.46 154.79 2.37 Favored 'General case' 0 C--N 1.359 1.01 0 CA-C-O 123.398 1.57 . . . . 0.0 112.947 179.247 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 40.2 p -104.04 -16.07 15.4 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-N 110.246 -3.161 . . . . 0.0 111.863 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -151.48 173.88 14.05 Favored 'General case' 0 C--N 1.351 0.658 0 CA-C-N 113.413 -1.721 . . . . 0.0 110.946 -178.919 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -69.39 -26.88 64.86 Favored 'General case' 0 CA--C 1.546 0.827 0 CA-C-N 111.39 -2.641 . . . . 0.0 113.712 -177.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 10.1 p-10 -77.77 -21.89 51.04 Favored 'General case' 0 CA--C 1.547 0.857 0 CA-C-N 114.59 -1.186 . . . . 0.0 111.454 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -99.75 158.71 15.59 Favored 'General case' 0 C--N 1.351 0.635 0 CA-C-N 113.324 -1.762 . . . . 0.0 109.748 -179.608 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . 0.263 4.2 pp -135.81 159.2 42.38 Favored 'General case' 0 C--N 1.348 0.527 0 CA-C-N 111.935 -2.393 . . . . 0.0 110.64 176.882 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 32.0 m -86.91 159.71 18.95 Favored 'General case' 0 N--CA 1.442 -0.865 0 CA-C-N 109.27 -3.604 . . . . 0.0 112.092 -177.465 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.506 ' HB3' ' CD1' ' A' ' 41' ' ' LEU . 27.0 p90 -160.32 161.18 33.2 Favored 'General case' 0 C--O 1.219 -0.518 0 CA-C-N 109.284 -3.598 . . . . 0.0 107.497 177.566 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.84 143.15 48.05 Favored 'General case' 0 N--CA 1.447 -0.618 0 CA-C-N 112.422 -2.172 . . . . 0.0 105.728 179.478 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 30.5 ttt180 -44.69 109.75 0.18 Allowed 'General case' 0 CA--C 1.551 0.986 0 O-C-N 124.694 1.247 . . . . 0.0 112.397 178.161 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 113.4 5.73 22.54 Favored Glycine 0 CA--C 1.537 1.45 0 CA-C-N 111.063 -2.79 . . . . 0.0 114.372 179.717 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 32.1 m-20 -70.47 153.82 42.54 Favored 'General case' 0 C--N 1.367 1.331 0 C-N-CA 116.964 -1.895 . . . . 0.0 110.09 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 25.3 mm -102.44 111.96 34.05 Favored 'Isoleucine or valine' 0 C--N 1.348 0.513 0 CA-C-N 112.835 -1.984 . . . . 0.0 106.355 179.715 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.556 ' HB2' ' HB3' ' A' ' 3' ' ' ALA . 1.8 mp -104.54 168.39 9.11 Favored 'General case' 0 C--N 1.355 0.847 0 CA-C-O 123.361 1.553 . . . . 0.0 111.919 -178.018 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 30.2 tttt -134.63 105.02 6.3 Favored 'General case' 0 C--O 1.217 -0.655 0 CA-C-N 110.012 -3.267 . . . . 0.0 110.076 179.343 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 15.3 t -88.07 111.97 23.0 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.526 0 CA-C-N 113.77 -1.559 . . . . 0.0 107.058 -175.591 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.4 tt -90.88 -40.23 11.86 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-N 111.098 -2.774 . . . . 0.0 111.281 -176.869 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 . . . . . 0 C--N 1.352 0.706 0 CA-C-N 114.725 -1.125 . . . . 0.0 109.558 179.604 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 29.6 m-20 . . . . . 0 CA--C 1.537 0.453 0 CA-C-O 119.053 -0.499 . . . . 0.0 110.494 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 80.3 m95 -137.77 128.17 26.38 Favored 'General case' 0 C--N 1.358 0.947 0 CA-C-O 122.237 1.018 . . . . 0.0 111.317 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 10.5 m-85 -109.57 149.53 29.52 Favored 'General case' 0 C--O 1.222 -0.359 0 CA-C-N 112.142 -2.299 . . . . 0.0 107.11 178.364 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 85.1 tttt -107.12 117.05 33.05 Favored 'General case' 0 C--N 1.349 0.576 0 N-CA-C 105.728 -1.953 . . . . 0.0 105.728 176.281 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -135.89 172.82 12.46 Favored 'General case' 0 C--N 1.356 0.851 0 O-C-N 124.32 1.013 . . . . 0.0 112.338 -178.267 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -109.57 130.4 55.51 Favored 'General case' 0 C--N 1.353 0.733 0 O-C-N 125.632 1.833 . . . . 0.0 110.312 -177.581 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.506 ' CD1' ' HB3' ' A' ' 19' ' ' PHE 0.305 10.9 mt -162.76 148.34 12.2 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-N 111.737 -2.483 . . . . 0.0 112.92 177.851 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 53.74 34.64 19.44 Favored 'General case' 0 CA--C 1.548 0.897 0 CA-C-N 109.753 -3.385 . . . . 0.0 115.534 170.489 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 79.4 8.68 87.6 Favored Glycine 0 CA--C 1.538 1.528 0 CA-C-N 114.41 -1.268 . . . . 0.0 114.703 179.58 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 68.9 mmtt -135.38 174.59 10.44 Favored 'General case' 0 C--N 1.351 0.666 0 N-CA-C 107.886 -1.153 . . . . 0.0 107.886 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -144.89 125.22 13.83 Favored 'General case' 0 CA--C 1.546 0.814 0 CA-C-N 113.1 -1.864 . . . . 0.0 107.135 176.881 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -159.11 -177.1 31.89 Favored Glycine 0 C--N 1.351 1.397 0 CA-C-N 114.601 -1.181 . . . . 0.0 111.989 -177.247 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -79.79 146.84 32.08 Favored 'General case' 0 C--N 1.346 0.431 0 CA-C-O 123.004 1.383 . . . . 0.0 110.936 -179.71 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 34.6 pt -140.36 143.4 33.08 Favored Pre-proline 0 CA--C 1.542 0.648 0 CA-C-N 111.039 -2.8 . . . . 0.0 106.686 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 2.3 Cg_endo -71.23 145.2 48.23 Favored 'Trans proline' 0 C--N 1.362 1.242 0 C-N-CA 121.084 1.189 . . . . 0.0 111.002 177.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 6.6 mtpm? -71.45 -33.39 69.31 Favored 'General case' 0 C--N 1.354 0.795 0 C-N-CA 119.201 -0.999 . . . . 0.0 109.849 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ASN . . . . . 0.497 HD22 ' HB2' ' B' ' 3' ' ' PRO . 10.1 p-10 -66.4 -20.13 65.98 Favored 'General case' 0 CA--C 1.55 0.962 0 CA-C-N 112.573 -2.103 . . . . 0.0 113.045 179.525 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.452 ' CE1' HG22 ' B' ' 5' ' ' VAL . 8.4 m-85 -94.03 4.81 53.37 Favored 'General case' 0 CA--C 1.557 1.216 0 CA-C-O 117.669 -1.158 . . . . 0.0 113.542 177.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.711 HD12 ' HB1' ' A' ' 3' ' ' ALA . 0.1 OUTLIER -135.1 166.15 28.99 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.889 0 CA-C-O 122.968 1.366 . . . . 0.0 110.401 176.345 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.426 ' N ' ' CG1' ' A' ' 53' ' ' ILE . 2.4 tm-20 . . . . . 0 C--N 1.351 0.66 0 CA-C-N 110.624 -2.989 . . . . 0.0 106.734 177.844 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 7.6 p . . . . . 0 CA--C 1.547 0.845 0 N-CA-C 107.929 -1.137 . . . . 0.0 107.929 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 2' ' ' PRO . . . . . 0.413 ' HB3' ' CG ' ' A' ' 7' ' ' TYR . 1.8 Cg_endo -69.33 161.96 43.76 Favored 'Trans proline' 0 C--N 1.365 1.439 0 N-CA-C 114.416 0.891 . . . . 0.0 114.416 -179.525 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 3' ' ' PRO . . . . . 0.497 ' HB2' HD22 ' A' ' 51' ' ' ASN . 57.4 Cg_exo -50.93 162.09 1.2 Allowed 'Trans proline' 0 C--N 1.365 1.398 0 C-N-CA 124.819 3.68 . . . . 0.0 116.286 177.043 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -79.98 125.68 6.08 Favored 'Trans proline' 0 C--N 1.362 1.285 0 N-CA-C 105.321 -2.607 . . . . 0.0 105.321 175.008 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 5' ' ' VAL . . . . . 0.452 HG22 ' CE1' ' A' ' 52' ' ' TYR . 1.8 t -69.92 134.36 87.83 Favored Pre-proline 0 N--CA 1.439 -1.0 0 CA-C-N 111.466 -2.606 . . . . 0.0 110.57 -177.328 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 6' ' ' PRO . . . . . 0.431 ' HD3' ' HA ' ' B' ' 5' ' ' VAL . 16.8 Cg_exo -62.09 165.22 15.06 Favored 'Trans proline' 0 C--N 1.361 1.219 0 C-N-CA 121.917 1.745 . . . . 0.0 114.655 -179.565 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 70.2 Cg_endo -87.57 111.83 0.81 Allowed 'Trans proline' 0 CA--C 1.548 1.185 0 C-N-CA 121.178 1.252 . . . . 0.0 109.77 176.187 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 8' ' ' ARG . . . . . 0.436 HH11 ' HG2' ' B' ' 8' ' ' ARG . 0.1 OUTLIER . . . . . 0 C--N 1.353 0.751 0 N-CA-C 107.789 -1.189 . . . . 0.0 107.789 178.504 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.41 ' HB3' HG23 ' A' ' 27' ' ' VAL . 31.4 ttm . . . . . 0 CA--C 1.536 0.429 0 N-CA-C 106.028 -1.842 . . . . 0.0 106.028 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -92.85 125.73 37.59 Favored 'General case' 0 C--N 1.351 0.631 0 CA-C-N 114.094 -1.412 . . . . 0.0 107.659 178.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.728 ' HB1' HD12 ' A' ' 53' ' ' ILE . . . -104.03 140.26 38.0 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 111.136 -2.756 . . . . 0.0 107.304 -179.028 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 31.2 mm -137.58 116.68 14.79 Favored 'Isoleucine or valine' 0 C--N 1.348 0.525 0 CA-C-N 113.755 -1.566 . . . . 0.0 109.54 -177.153 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -66.58 119.72 12.2 Favored 'General case' 0 CA--C 1.545 0.776 0 CA-C-N 112.547 -2.115 . . . . 0.0 110.348 179.202 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.8 mtmp? -88.24 -14.46 38.41 Favored 'General case' 0 C--N 1.343 0.318 0 CA-C-N 113.712 -1.585 . . . . 0.0 111.901 179.278 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 70.9 m-85 -142.72 172.24 12.96 Favored 'General case' 0 CA--C 1.538 0.511 0 O-C-N 125.54 1.775 . . . . 0.0 110.258 179.341 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -91.87 128.09 37.58 Favored 'General case' 0 CA--C 1.544 0.737 0 CA-C-N 111.55 -2.568 . . . . 0.0 108.096 178.835 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 14.6 t80 -137.95 151.43 47.95 Favored 'General case' 0 C--N 1.351 0.668 0 CA-C-O 124.743 2.211 . . . . 0.0 113.542 -177.765 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.48 ' H ' ' HD2' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -135.38 106.84 6.85 Favored 'General case' 0 CA--C 1.55 0.947 0 CA-C-N 108.825 -3.807 . . . . 0.0 107.405 178.431 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -50.95 158.03 0.75 Allowed 'General case' 0 N--CA 1.47 0.539 0 CA-C-O 123.888 1.804 . . . . 0.0 113.566 -179.749 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 48.6 p -87.42 -25.91 23.54 Favored 'General case' 0 CA--C 1.549 0.932 0 CA-C-N 109.369 -3.559 . . . . 0.0 106.472 175.665 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 59.98 77.39 0.32 Allowed 'General case' 0 C--N 1.356 0.865 0 C-N-CA 128.774 2.83 . . . . 0.0 112.674 178.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . 0.255 11.5 t70 -125.37 17.75 8.26 Favored 'General case' 0 N--CA 1.438 -1.064 1 CA-C-N 106.341 -4.936 . . . . 0.0 107.679 179.628 . . . . . . . . 3 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 45.4 p30 121.79 11.14 0.0 OUTLIER 'General case' 0 C--N 1.37 1.493 0 C-N-CA 130.743 3.617 . . . . 0.0 110.83 -176.513 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 76.7 mt-10 -98.21 165.5 11.85 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 112.261 -2.245 . . . . 0.0 112.817 -177.527 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.1 pp -139.05 159.63 41.69 Favored 'General case' 0 C--N 1.354 0.764 0 CA-C-N 110.546 -3.025 . . . . 0.0 111.28 177.533 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 40.7 m -87.15 157.79 19.29 Favored 'General case' 0 N--CA 1.445 -0.721 0 CA-C-N 109.345 -3.571 . . . . 0.0 111.613 -178.055 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.436 ' HB3' ' CD1' ' A' ' 41' ' ' LEU . 29.1 p90 -160.34 150.44 18.11 Favored 'General case' 0 C--O 1.219 -0.516 0 CA-C-N 110.785 -2.916 . . . . 0.0 106.13 178.296 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 21.0 pttp -109.05 151.0 26.97 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 112.985 -1.916 . . . . 0.0 106.844 178.798 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 45.1 tpt85 -45.34 109.36 0.17 Allowed 'General case' 0 CA--C 1.554 1.122 0 CA-C-N 113.032 -1.895 . . . . 0.0 111.817 177.487 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 104.26 15.65 20.86 Favored Glycine 0 C--N 1.347 1.183 0 CA-C-N 111.907 -2.406 . . . . 0.0 115.21 178.271 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.667 ' HB3' HD21 ' A' ' 41' ' ' LEU . 60.1 m-20 -71.31 158.37 36.47 Favored 'General case' 0 C--N 1.367 1.365 0 C-N-CA 116.054 -2.258 . . . . 0.0 111.28 179.63 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 74.3 mt -102.51 105.31 17.89 Favored 'Isoleucine or valine' 0 C--N 1.351 0.636 0 CA-C-N 110.878 -2.874 . . . . 0.0 105.016 178.636 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.865 HD11 HD11 ' A' ' 41' ' ' LEU 0.262 3.0 mp -107.06 161.36 14.81 Favored 'General case' 0 N--CA 1.444 -0.75 0 CA-C-N 112.076 -2.329 . . . . 0.0 108.816 -177.995 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 35.3 mtpt -133.73 108.21 8.38 Favored 'General case' 0 C--O 1.22 -0.485 0 CA-C-N 112.065 -2.334 . . . . 0.0 107.585 176.524 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.426 HG22 ' HB2' ' A' ' 3' ' ' ALA . 0.0 OUTLIER -88.52 102.97 13.34 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.606 0 CA-C-O 124.668 2.175 . . . . 0.0 105.27 -177.507 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 28.7 tp -92.88 -48.72 6.4 Favored 'General case' 0 N--CA 1.443 -0.786 1 CA-C-N 107.41 -4.45 . . . . 0.0 112.759 -176.666 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 . . . . . 0 C--N 1.357 0.897 0 O-C-N 124.777 1.298 . . . . 0.0 112.278 -177.86 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.485 ' O ' ' HA ' ' A' ' 49' ' ' PRO . 87.9 m-20 . . . . . 0 N--CA 1.44 -0.941 0 N-CA-C 114.425 1.269 . . . . 0.0 114.425 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 78.0 m95 -135.86 118.23 15.71 Favored 'General case' 0 C--N 1.346 0.421 0 CA-C-O 123.509 1.623 . . . . 0.0 109.859 -179.511 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.452 ' O ' ' HA ' ' A' ' 47' ' ' PHE 0.273 13.4 m-30 -104.7 140.09 38.56 Favored 'General case' 0 C--O 1.217 -0.644 0 CA-C-N 109.569 -3.469 . . . . 0.0 110.087 179.395 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 61.7 tttm -99.79 90.02 4.3 Favored 'General case' 0 CA--C 1.535 0.383 0 N-CA-C 104.811 -2.292 . . . . 0.0 104.811 177.723 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -102.19 -173.1 2.26 Favored 'General case' 0 C--N 1.352 0.683 0 CA-C-N 112.185 -2.28 . . . . 0.0 109.805 -177.801 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -129.87 131.83 46.22 Favored 'General case' 0 C--N 1.354 0.763 0 O-C-N 125.256 1.598 . . . . 0.0 111.191 -178.117 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.865 HD11 HD11 ' A' ' 25' ' ' LEU 0.25 8.3 mt -160.29 141.98 12.6 Favored 'General case' 0 CA--C 1.496 -1.122 0 CA-C-N 111.851 -2.431 . . . . 0.0 114.111 178.442 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 57.79 29.42 17.42 Favored 'General case' 0 CA--C 1.545 0.761 0 CA-C-N 109.035 -3.712 . . . . 0.0 112.88 173.389 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 72.58 17.92 78.24 Favored Glycine 0 CA--C 1.539 1.531 0 CA-C-N 112.93 -1.941 . . . . 0.0 113.569 -179.463 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -136.5 135.24 38.39 Favored 'General case' 0 C--N 1.353 0.719 0 N-CA-C 108.091 -1.078 . . . . 0.0 108.091 -179.484 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -98.93 148.42 23.98 Favored 'General case' 0 CA--C 1.544 0.719 0 N-CA-C 106.453 -1.684 . . . . 0.0 106.453 177.144 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -176.23 167.0 38.41 Favored Glycine 0 C--N 1.339 0.705 0 C-N-CA 119.137 -1.506 . . . . 0.0 111.119 -178.085 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.452 ' HA ' ' O ' ' A' ' 37' ' ' TYR . 75.4 m-85 -79.45 140.48 37.33 Favored 'General case' 0 CA--C 1.54 0.592 0 CA-C-N 112.789 -1.706 . . . . 0.0 110.417 -179.445 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.491 ' CD1' HD23 ' A' ' 25' ' ' LEU . 45.3 pt -139.36 144.63 40.85 Favored Pre-proline 0 CA--C 1.545 0.762 0 CA-C-N 112.847 -1.979 . . . . 0.0 108.347 -179.092 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.485 ' HA ' ' O ' ' A' ' 35' ' ' ASN . 1.9 Cg_endo -66.72 140.57 56.6 Favored 'Trans proline' 0 C--N 1.364 1.357 0 C-N-CA 121.908 1.739 . . . . 0.0 114.811 -179.457 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 20.7 mtpt -70.65 -35.4 72.86 Favored 'General case' 0 C--N 1.376 1.751 0 C-N-CA 114.714 -2.794 . . . . 0.0 112.364 179.074 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 19.0 p-10 -59.1 -20.72 56.03 Favored 'General case' 0 CA--C 1.554 1.102 0 CA-C-N 114.44 -1.254 . . . . 0.0 113.851 179.523 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -92.77 -0.43 57.27 Favored 'General case' 0 CA--C 1.553 1.07 0 N-CA-C 113.824 1.046 . . . . 0.0 113.824 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.728 HD12 ' HB1' ' A' ' 3' ' ' ALA . 0.1 OUTLIER -132.34 172.97 15.49 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.128 0 CA-C-O 122.772 1.272 . . . . 0.0 111.414 -179.907 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.475 ' N ' ' CG1' ' A' ' 53' ' ' ILE . 37.2 tt0 . . . . . 0 C--N 1.354 0.784 0 C-N-CA 128.811 2.845 . . . . 0.0 107.133 177.234 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 51.0 t . . . . . 0 CA--C 1.546 0.823 0 N-CA-C 107.373 -1.343 . . . . 0.0 107.373 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -54.87 152.38 29.17 Favored 'Trans proline' 0 CA--C 1.562 1.875 0 C-N-CA 121.984 1.789 . . . . 0.0 115.936 -179.386 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_exo -48.39 158.78 0.92 Allowed 'Trans proline' 0 C--N 1.368 1.601 0 C-N-CA 125.085 3.857 . . . . 0.0 118.783 179.359 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -78.9 123.39 5.73 Favored 'Trans proline' 0 C--N 1.367 1.512 0 N-CA-C 105.666 -2.475 . . . . 0.0 105.666 175.278 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 5' ' ' VAL . . . . . 0.415 ' HA ' ' HD3' ' B' ' 6' ' ' PRO . 1.5 t -69.01 137.66 89.76 Favored Pre-proline 0 CA--C 1.547 0.833 0 CA-C-N 111.465 -2.607 . . . . 0.0 112.668 -176.244 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 6' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' B' ' 5' ' ' VAL . 26.6 Cg_exo -64.1 162.45 29.52 Favored 'Trans proline' 0 C--N 1.366 1.456 0 C-N-CA 121.786 1.657 . . . . 0.0 113.023 179.01 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_endo -80.77 115.97 3.13 Favored 'Trans proline' 0 CA--C 1.547 1.15 0 N-CA-C 107.755 -1.671 . . . . 0.0 107.755 175.286 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 2.3 ppt_? . . . . . 0 C--N 1.356 0.866 0 C-N-CA 119.313 -0.955 . . . . 0.0 108.973 178.972 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.459 ' O ' HG22 ' A' ' 27' ' ' VAL . 55.0 tpp . . . . . 0 N--CA 1.441 -0.914 0 N-CA-C 103.782 -2.673 . . . . 0.0 103.782 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -78.51 143.17 36.83 Favored 'General case' 0 C--N 1.351 0.644 0 CA-C-N 113.415 -1.72 . . . . 0.0 108.931 -178.291 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.637 ' HB1' ' CD1' ' A' ' 53' ' ' ILE . . . -134.87 135.85 41.97 Favored 'General case' 0 N--CA 1.444 -0.769 0 CA-C-N 110.186 -3.188 . . . . 0.0 103.634 -179.136 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 4.0 mp -138.94 129.02 32.17 Favored 'Isoleucine or valine' 0 C--N 1.346 0.448 0 O-C-N 124.177 0.923 . . . . 0.0 110.861 -175.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -67.09 121.45 15.62 Favored 'General case' 0 CA--C 1.549 0.916 0 CA-C-N 113.893 -1.503 . . . . 0.0 110.117 178.58 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 28.0 mtpp -88.67 -25.46 22.37 Favored 'General case' 0 C--N 1.346 0.413 0 CA-C-N 114.181 -1.372 . . . . 0.0 113.276 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -139.83 173.65 11.32 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 112.028 -2.351 . . . . 0.0 109.879 -178.5 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 -82.96 128.08 34.13 Favored 'General case' 0 C--N 1.347 0.458 0 CA-C-N 110.597 -3.001 . . . . 0.0 107.182 179.653 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 19.8 t80 -138.66 155.71 48.05 Favored 'General case' 0 C--N 1.35 0.624 0 CA-C-O 124.39 2.043 . . . . 0.0 112.121 -178.728 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.45 ' H ' ' HD3' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -133.51 125.03 28.05 Favored 'General case' 0 CA--C 1.543 0.689 0 CA-C-N 109.36 -3.563 . . . . 0.0 108.243 178.568 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -51.28 161.58 0.42 Allowed 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 113.236 -1.802 . . . . 0.0 113.406 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -108.83 46.86 0.94 Allowed 'General case' 0 CA--C 1.544 0.733 0 CA-C-N 111.811 -2.449 . . . . 0.0 107.672 177.219 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 77.14 159.88 0.21 Allowed 'General case' 0 C--O 1.212 -0.911 0 CA-C-N 109.318 -3.583 . . . . 0.0 108.36 -178.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -6.91 -41.89 0.0 OUTLIER 'General case' 0 CA--C 1.551 1.0 1 C-N-CA 132.891 4.476 . . . . 0.0 118.037 -178.465 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 24.8 p-10 -63.05 -33.26 75.05 Favored 'General case' 0 CA--C 1.554 1.116 0 CA-C-O 123.511 1.624 . . . . 0.0 111.145 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -102.73 156.19 17.8 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-N 110.947 -2.842 . . . . 0.0 108.256 177.307 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . 0.267 3.9 pp -134.45 152.28 51.69 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 112.215 -2.266 . . . . 0.0 107.943 176.827 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 42.2 m -85.78 160.85 19.38 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 111.117 -2.765 . . . . 0.0 112.386 -175.528 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 33.7 p90 -160.18 148.35 16.77 Favored 'General case' 0 C--N 1.346 0.441 0 CA-C-N 111.202 -2.726 . . . . 0.0 106.463 177.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.34 146.08 32.03 Favored 'General case' 0 N--CA 1.447 -0.58 0 N-CA-C 104.847 -2.279 . . . . 0.0 104.847 178.5 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 19.6 ttm180 -46.94 115.44 1.07 Allowed 'General case' 0 CA--C 1.55 0.946 0 CA-C-N 114.208 -1.36 . . . . 0.0 111.37 177.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 112.23 -3.59 26.8 Favored Glycine 0 CA--C 1.528 0.871 0 CA-C-N 112.46 -2.155 . . . . 0.0 113.292 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 32.3 m-20 -72.85 150.37 42.74 Favored 'General case' 0 C--N 1.369 1.438 0 C-N-CA 115.785 -2.366 . . . . 0.0 109.05 179.775 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 46.7 mm -101.46 123.87 54.84 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.382 0 CA-C-N 112.64 -2.073 . . . . 0.0 106.708 179.675 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.619 ' HB2' ' HB3' ' A' ' 3' ' ' ALA 0.27 1.5 mm? -105.97 166.1 10.73 Favored 'General case' 0 N--CA 1.443 -0.823 0 CA-C-N 112.053 -2.34 . . . . 0.0 110.238 -178.952 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 12.5 ttpt -136.25 112.82 10.05 Favored 'General case' 0 C--O 1.217 -0.619 0 CA-C-N 108.847 -3.797 . . . . 0.0 109.167 178.394 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.459 HG22 ' O ' ' A' ' 1' ' ' MET . 2.8 m -88.33 125.98 41.65 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.222 0 CA-C-O 123.885 1.802 . . . . 0.0 110.697 -175.356 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 49.0 tp -91.7 -59.22 2.18 Favored 'General case' 0 C--N 1.349 0.567 0 CA-C-N 109.657 -3.429 . . . . 0.0 111.272 -177.255 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 83.6 m-20 . . . . . 0 C--N 1.352 0.716 0 O-C-N 125.302 1.626 . . . . 0.0 109.652 -179.211 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 45.0 m-80 . . . . . 0 N--CA 1.445 -0.71 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 57.8 m95 -137.99 137.79 38.24 Favored 'General case' 0 C--N 1.359 1.011 0 O-C-N 123.992 0.808 . . . . 0.0 109.284 179.571 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 32.8 m-85 -106.98 143.39 35.15 Favored 'General case' 0 C--N 1.347 0.499 0 CA-C-N 113.412 -1.722 . . . . 0.0 107.888 178.694 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.4 ttmp? -101.42 92.58 4.99 Favored 'General case' 0 C--N 1.35 0.59 0 N-CA-C 105.895 -1.891 . . . . 0.0 105.895 177.611 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -103.7 -174.17 2.48 Favored 'General case' 0 C--N 1.355 0.843 0 CA-C-N 113.616 -1.629 . . . . 0.0 111.359 -177.652 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -125.82 134.51 51.65 Favored 'General case' 0 C--N 1.358 0.975 0 O-C-N 125.528 1.768 . . . . 0.0 110.795 -178.209 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.564 HD11 HD11 ' A' ' 25' ' ' LEU 0.303 10.4 mt -162.51 144.72 10.81 Favored 'General case' 0 C--N 1.352 0.703 0 CA-C-N 110.136 -3.211 . . . . 0.0 113.551 178.253 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 54.72 37.89 29.1 Favored 'General case' 0 CA--C 1.543 0.683 0 CA-C-N 110.199 -3.182 . . . . 0.0 114.748 170.811 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 72.52 13.88 77.58 Favored Glycine 0 CA--C 1.54 1.629 0 CA-C-N 113.764 -1.562 . . . . 0.0 114.127 -179.774 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 55.3 mtmt -134.09 178.42 6.98 Favored 'General case' 0 C--N 1.354 0.788 0 CA-C-O 122.141 0.972 . . . . 0.0 108.769 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 12.8 p-10 -142.52 135.95 28.84 Favored 'General case' 0 CA--C 1.543 0.686 0 CA-C-N 112.251 -2.25 . . . . 0.0 106.588 178.746 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -167.77 175.69 42.61 Favored Glycine 0 C--N 1.346 1.129 0 C-N-CA 118.821 -1.657 . . . . 0.0 111.547 -176.663 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 80.3 m-85 -79.84 138.86 37.31 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 111.803 -2.198 . . . . 0.0 111.996 -179.169 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 31.6 pt -136.42 135.17 20.38 Favored Pre-proline 0 CA--C 1.544 0.716 0 CA-C-N 111.693 -2.503 . . . . 0.0 105.813 179.372 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.43 ' HB3' ' HD2' ' B' ' 6' ' ' PRO . 4.4 Cg_endo -68.4 137.27 39.26 Favored 'Trans proline' 0 C--N 1.363 1.328 0 C-N-CA 121.295 1.33 . . . . 0.0 112.884 -178.415 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.43 -16.25 62.38 Favored 'General case' 0 C--N 1.356 0.876 0 C-N-CA 116.127 -2.229 . . . . 0.0 114.331 -179.042 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . 0.257 0.8 OUTLIER -82.17 -13.78 56.63 Favored 'General case' 0 C--N 1.359 1.01 0 C-N-CA 118.081 -1.447 . . . . 0.0 111.221 177.985 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.478 ' CE1' HG22 ' B' ' 5' ' ' VAL . 8.7 m-85 -93.42 -2.12 54.97 Favored 'General case' 0 C--N 1.356 0.851 0 C-N-CA 118.985 -1.086 . . . . 0.0 112.218 177.714 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.637 ' CD1' ' HB1' ' A' ' 3' ' ' ALA . 0.0 OUTLIER -134.33 159.09 42.19 Favored 'Isoleucine or valine' 0 C--N 1.36 1.062 0 CA-C-O 122.46 1.124 . . . . 0.0 112.828 179.868 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.431 ' N ' HG13 ' A' ' 53' ' ' ILE . 39.9 tt0 . . . . . 0 C--N 1.357 0.931 0 CA-C-N 111.437 -2.619 . . . . 0.0 105.389 175.204 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 96.4 t . . . . . 0 CA--C 1.551 1.001 0 N-CA-C 112.62 0.6 . . . . 0.0 112.62 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -50.37 150.85 10.6 Favored 'Trans proline' 0 CA--C 1.559 1.752 0 C-N-CA 122.247 1.964 . . . . 0.0 115.745 -179.194 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_exo -52.73 161.23 3.21 Favored 'Trans proline' 0 C--N 1.367 1.53 0 C-N-CA 124.297 3.331 . . . . 0.0 117.202 179.356 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -79.13 122.51 5.28 Favored 'Trans proline' 0 C--N 1.365 1.433 0 N-CA-C 106.254 -2.249 . . . . 0.0 106.254 175.092 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 5' ' ' VAL . . . . . 0.478 HG22 ' CE1' ' A' ' 52' ' ' TYR . 2.1 t -68.21 139.41 92.46 Favored Pre-proline 0 CA--C 1.546 0.826 0 CA-C-N 111.651 -2.522 . . . . 0.0 111.83 -176.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 6' ' ' PRO . . . . . 0.43 ' HD2' ' HB3' ' A' ' 49' ' ' PRO . 27.4 Cg_exo -61.42 158.56 35.44 Favored 'Trans proline' 0 C--N 1.363 1.314 0 C-N-CA 121.515 1.477 . . . . 0.0 114.116 178.672 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -82.39 112.48 2.21 Favored 'Trans proline' 0 CA--C 1.544 1.023 0 N-CA-C 108.946 -1.213 . . . . 0.0 108.946 176.56 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 4.9 ppt_? . . . . . 0 C--N 1.351 0.645 0 CA-C-N 115.097 -0.956 . . . . 0.0 109.074 179.438 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.7 ptt? . . . . . 0 CA--C 1.53 0.192 0 CA-C-O 121.27 0.557 . . . . 0.0 109.529 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 20.5 tp10 -76.42 158.0 31.76 Favored 'General case' 0 C--N 1.354 0.771 0 N-CA-C 106.432 -1.692 . . . . 0.0 106.432 179.019 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.564 ' HB1' ' CD1' ' A' ' 53' ' ' ILE . . . -140.55 133.95 29.87 Favored 'General case' 0 N--CA 1.451 -0.394 0 N-CA-C 105.431 -2.063 . . . . 0.0 105.431 178.428 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 19.4 mt -144.26 127.46 11.95 Favored 'Isoleucine or valine' 0 C--N 1.345 0.384 0 CA-C-N 114.737 -1.12 . . . . 0.0 109.967 -176.029 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.406 ' HB3' ' H ' ' A' ' 22' ' ' GLY . . . -67.12 120.05 13.07 Favored 'General case' 0 CA--C 1.543 0.683 0 CA-C-N 112.0 -2.364 . . . . 0.0 109.795 178.163 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 30.7 mtmt -86.9 -22.93 25.39 Favored 'General case' 0 C--N 1.342 0.263 0 CA-C-N 113.626 -1.624 . . . . 0.0 109.616 178.535 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 89.0 m-85 -141.31 173.28 11.64 Favored 'General case' 0 C--N 1.348 0.505 0 O-C-N 126.173 2.171 . . . . 0.0 111.356 -179.458 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 -81.82 126.9 32.41 Favored 'General case' 0 C--N 1.347 0.478 0 CA-C-N 109.551 -3.477 . . . . 0.0 107.692 179.466 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 17.3 t80 -139.02 142.56 38.26 Favored 'General case' 0 C--N 1.348 0.517 0 CA-C-O 123.92 1.819 . . . . 0.0 111.376 -179.413 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 16.0 tptp -130.21 101.61 5.86 Favored 'General case' 0 N--CA 1.443 -0.778 0 CA-C-N 110.158 -3.201 . . . . 0.0 106.647 178.816 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -53.48 157.71 2.01 Favored 'General case' 0 C--N 1.358 0.969 0 CA-C-O 123.6 1.667 . . . . 0.0 112.777 179.229 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -86.23 -25.53 25.54 Favored 'General case' 0 CA--C 1.547 0.865 0 CA-C-N 109.903 -3.317 . . . . 0.0 105.852 175.114 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 63.48 78.75 0.28 Allowed 'General case' 0 C--N 1.355 0.81 0 CA-C-N 111.145 -2.752 . . . . 0.0 111.361 -179.608 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.55 ' HB3' HH21 ' B' ' 8' ' ' ARG . 1.0 OUTLIER -123.42 11.96 9.35 Favored 'General case' 0 N--CA 1.44 -0.971 1 CA-C-N 105.664 -5.243 . . . . 0.0 108.344 178.844 . . . . . . . . 4 4 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 57.1 p30 127.99 -0.22 0.0 OUTLIER 'General case' 0 C--N 1.362 1.138 0 C-N-CA 130.082 3.353 . . . . 0.0 109.238 -175.88 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -96.97 155.2 16.88 Favored 'General case' 0 C--N 1.349 0.556 0 CA-C-N 112.383 -2.189 . . . . 0.0 110.945 -177.803 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.0 pp -131.94 157.31 44.37 Favored 'General case' 0 N--CA 1.476 0.836 0 CA-C-N 110.884 -2.871 . . . . 0.0 110.96 178.243 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 39.7 m -86.17 155.12 20.88 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-N 109.379 -3.555 . . . . 0.0 112.157 -176.254 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 29.8 p90 -160.49 146.94 15.42 Favored 'General case' 0 C--N 1.345 0.405 0 CA-C-N 110.236 -3.165 . . . . 0.0 106.587 178.793 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 24.7 mtmt -105.67 148.29 27.55 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-N 112.512 -2.131 . . . . 0.0 106.031 179.272 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 18.2 ttp180 -46.75 110.41 0.28 Allowed 'General case' 0 CA--C 1.549 0.922 0 CA-C-N 113.591 -1.641 . . . . 0.0 112.5 178.408 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.406 ' H ' ' HB3' ' A' ' 5' ' ' ALA . . . 108.18 9.99 26.74 Favored Glycine 0 CA--C 1.532 1.145 0 CA-C-N 111.919 -2.4 . . . . 0.0 114.547 179.34 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 34.8 m-20 -70.54 156.54 39.28 Favored 'General case' 0 C--N 1.367 1.347 0 C-N-CA 116.49 -2.084 . . . . 0.0 109.398 179.706 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 37.5 mm -103.5 110.71 30.73 Favored 'Isoleucine or valine' 0 C--N 1.348 0.53 0 CA-C-N 112.709 -2.041 . . . . 0.0 106.203 179.012 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.561 ' HB2' ' HB3' ' A' ' 3' ' ' ALA . 4.1 mp -110.0 168.88 9.1 Favored 'General case' 0 C--N 1.349 0.544 0 CA-C-N 112.196 -2.275 . . . . 0.0 110.318 -177.67 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 13.4 tmtt? -136.59 109.24 7.48 Favored 'General case' 0 C--O 1.217 -0.64 0 CA-C-N 110.442 -3.072 . . . . 0.0 109.675 178.571 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.45 HG22 ' HB2' ' A' ' 3' ' ' ALA . 0.1 OUTLIER -89.66 114.83 28.19 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.46 0 CA-C-O 123.578 1.656 . . . . 0.0 109.642 -175.269 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.6 tt -90.74 -38.35 13.09 Favored 'General case' 0 CA--C 1.549 0.919 0 CA-C-N 109.407 -3.542 . . . . 0.0 112.01 -176.921 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 5.7 p-10 . . . . . 0 C--N 1.36 1.04 0 CA-C-O 122.755 1.264 . . . . 0.0 112.778 179.959 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 31.0 m-20 . . . . . 0 CA--C 1.54 0.567 0 CA-C-O 119.382 -0.342 . . . . 0.0 110.65 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 86.0 m95 -137.21 140.73 41.92 Favored 'General case' 0 C--N 1.36 1.053 0 CA-C-O 122.336 1.065 . . . . 0.0 111.276 -179.155 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.401 ' O ' ' HA ' ' A' ' 47' ' ' PHE 0.255 18.4 m-85 -105.47 175.07 5.62 Favored 'General case' 0 C--O 1.218 -0.558 0 N-CA-C 104.977 -2.231 . . . . 0.0 104.977 176.77 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 83.2 tttt -135.87 89.57 2.5 Favored 'General case' 0 CA--C 1.538 0.488 0 N-CA-C 104.11 -2.552 . . . . 0.0 104.11 175.346 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -105.32 -172.0 2.02 Favored 'General case' 0 C--N 1.356 0.888 0 CA-C-N 114.42 -1.264 . . . . 0.0 112.369 -177.12 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 51.6 tt0 -130.76 135.0 47.36 Favored 'General case' 0 C--N 1.355 0.838 0 CA-C-N 113.11 -1.859 . . . . 0.0 109.322 -179.623 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.402 HD11 HD21 ' A' ' 25' ' ' LEU 0.302 12.4 mt -160.23 135.66 8.15 Favored 'General case' 0 CA--C 1.499 -0.996 0 CA-C-N 111.816 -2.447 . . . . 0.0 113.894 179.509 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 57.37 31.45 20.19 Favored 'General case' 0 CA--C 1.549 0.911 0 CA-C-N 110.193 -3.185 . . . . 0.0 113.353 171.843 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 75.25 15.43 81.16 Favored Glycine 0 C--N 1.354 1.563 0 CA-C-N 113.063 -1.881 . . . . 0.0 114.084 -179.668 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 57.9 mtpt -135.41 131.03 35.76 Favored 'General case' 0 C--N 1.354 0.775 0 N-CA-C 109.152 -0.685 . . . . 0.0 109.152 -179.413 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -98.14 146.1 25.92 Favored 'General case' 0 CA--C 1.544 0.724 0 N-CA-C 106.937 -1.505 . . . . 0.0 106.937 177.783 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -178.61 170.9 43.05 Favored Glycine 0 C--N 1.343 0.95 0 C-N-CA 119.103 -1.522 . . . . 0.0 112.119 -177.791 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.401 ' HA ' ' O ' ' A' ' 37' ' ' TYR . 76.9 m-85 -80.85 143.38 32.8 Favored 'General case' 0 C--N 1.349 0.568 0 CA-C-N 112.211 -1.994 . . . . 0.0 110.969 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 26.9 pt -140.23 142.27 29.29 Favored Pre-proline 0 CA--C 1.543 0.687 0 CA-C-N 110.978 -2.828 . . . . 0.0 106.082 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -71.92 143.63 41.35 Favored 'Trans proline' 0 C--N 1.361 1.197 0 C-N-CA 121.192 1.261 . . . . 0.0 112.698 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 83.2 mttt -71.71 -26.84 62.66 Favored 'General case' 0 C--N 1.355 0.816 0 C-N-CA 118.495 -1.282 . . . . 0.0 111.936 -179.501 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . 0.303 1.2 p-10 -75.84 -12.36 60.15 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 117.809 -1.556 . . . . 0.0 112.56 178.56 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.4 ' CE1' HG22 ' B' ' 5' ' ' VAL . 8.8 m-85 -94.1 -8.46 39.56 Favored 'General case' 0 C--N 1.357 0.92 0 C-N-CA 118.986 -1.086 . . . . 0.0 113.759 177.513 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.564 ' CD1' ' HB1' ' A' ' 3' ' ' ALA . 0.1 OUTLIER -133.12 171.26 18.44 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.189 0 CA-C-O 122.739 1.257 . . . . 0.0 110.793 -179.78 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.485 ' N ' HG13 ' A' ' 53' ' ' ILE . 27.9 tt0 . . . . . 0 CA--C 1.551 0.985 0 C-N-CA 128.923 2.889 . . . . 0.0 104.499 175.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 61.5 t . . . . . 0 CA--C 1.54 0.595 0 N-CA-C 107.056 -1.461 . . . . 0.0 107.056 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 5.9 Cg_endo -68.09 163.46 35.85 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 122.827 0.909 . . . . 0.0 114.015 -179.163 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 69.9 Cg_exo -37.63 154.94 0.03 OUTLIER 'Trans proline' 0 C--N 1.367 1.542 0 C-N-CA 125.134 3.889 . . . . 0.0 118.928 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -75.43 120.4 5.92 Favored 'Trans proline' 0 C--N 1.365 1.407 0 N-CA-C 106.032 -2.334 . . . . 0.0 106.032 175.886 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 5' ' ' VAL . . . . . 0.4 HG22 ' CE1' ' A' ' 52' ' ' TYR . 2.6 t -66.07 137.86 95.97 Favored Pre-proline 0 CA--C 1.548 0.898 0 CA-C-N 112.092 -2.322 . . . . 0.0 110.474 -177.911 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 12.9 Cg_exo -60.16 156.82 37.78 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 123.256 1.134 . . . . 0.0 113.123 179.546 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -77.21 111.33 3.18 Favored 'Trans proline' 0 C--N 1.357 1.015 0 N-CA-C 108.549 -1.366 . . . . 0.0 108.549 177.082 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 8' ' ' ARG . . . . . 0.55 HH21 ' HB3' ' A' ' 14' ' ' ASP . 33.4 ttp85 . . . . . 0 C--N 1.351 0.667 0 CA-C-O 123.056 1.408 . . . . 0.0 108.503 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 57.9 ttp . . . . . 0 CA--C 1.537 0.464 0 CA-C-O 121.728 0.775 . . . . 0.0 110.644 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -88.68 115.46 26.23 Favored 'General case' 0 C--N 1.358 0.97 0 CA-C-N 112.41 -2.177 . . . . 0.0 108.782 179.359 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.648 ' HB1' HD12 ' A' ' 53' ' ' ILE . . . -103.02 142.22 34.47 Favored 'General case' 0 C--N 1.348 0.541 0 CA-C-N 111.675 -2.511 . . . . 0.0 109.465 -179.461 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.416 ' H ' HG13 ' A' ' 53' ' ' ILE . 16.2 mt -147.55 110.73 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.35 0.616 0 CA-C-N 112.47 -2.15 . . . . 0.0 107.796 -178.326 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -65.7 128.28 35.32 Favored 'General case' 0 CA--C 1.545 0.764 0 CA-C-O 122.378 1.085 . . . . 0.0 110.12 179.778 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 5.7 mtmp? -87.78 -25.89 23.14 Favored 'General case' 0 C--O 1.221 -0.41 0 CA-C-N 112.545 -2.116 . . . . 0.0 110.912 179.428 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 91.3 m-85 -138.09 166.59 23.75 Favored 'General case' 0 C--N 1.347 0.495 0 CA-C-O 123.751 1.738 . . . . 0.0 109.734 -179.112 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -85.19 132.96 34.21 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 109.608 -3.451 . . . . 0.0 106.622 179.352 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 21.2 t80 -139.24 157.89 45.12 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 111.966 -2.379 . . . . 0.0 111.214 -178.151 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.2 tppp? -134.13 118.83 18.13 Favored 'General case' 0 N--CA 1.442 -0.873 1 CA-C-N 108.391 -4.004 . . . . 0.0 106.019 178.933 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -50.18 154.09 1.28 Allowed 'General case' 0 C--N 1.359 1.001 0 CA-C-O 123.47 1.605 . . . . 0.0 113.003 179.101 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -104.01 -17.85 14.81 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-N 109.888 -3.324 . . . . 0.0 112.173 -179.164 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -151.96 175.98 11.96 Favored 'General case' 0 C--N 1.35 0.612 0 CA-C-N 114.212 -1.358 . . . . 0.0 109.148 -179.727 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -70.91 -27.69 63.97 Favored 'General case' 0 CA--C 1.547 0.832 0 CA-C-N 111.543 -2.571 . . . . 0.0 112.94 -178.598 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -80.0 -20.35 45.65 Favored 'General case' 0 CA--C 1.547 0.849 0 CA-C-N 115.06 -0.973 . . . . 0.0 110.731 178.854 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -97.82 155.18 17.17 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-N 113.484 -1.689 . . . . 0.0 108.01 178.226 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.3 pp -135.68 164.39 27.98 Favored 'General case' 0 C--N 1.351 0.674 0 CA-C-N 111.753 -2.476 . . . . 0.0 109.945 177.185 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 50.6 m -87.1 158.27 19.22 Favored 'General case' 0 N--CA 1.438 -1.071 0 CA-C-N 108.639 -3.891 . . . . 0.0 112.484 -176.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 24.7 p90 -159.5 151.82 21.09 Favored 'General case' 0 C--O 1.222 -0.356 0 CA-C-N 109.339 -3.573 . . . . 0.0 105.772 177.673 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 18.3 mmtt -110.77 146.23 36.73 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 112.846 -1.979 . . . . 0.0 106.513 -179.663 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 12.5 ttt85 -46.18 111.75 0.4 Allowed 'General case' 0 CA--C 1.554 1.116 0 O-C-N 124.798 1.311 . . . . 0.0 112.468 178.355 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 106.09 11.58 27.58 Favored Glycine 0 CA--C 1.532 1.128 0 CA-C-N 111.473 -2.603 . . . . 0.0 114.401 179.08 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 40.6 m-20 -79.11 144.44 34.54 Favored 'General case' 0 C--N 1.366 1.313 0 C-N-CA 116.133 -2.227 . . . . 0.0 109.554 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 71.7 mt -100.98 124.11 54.41 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.576 0 N-CA-C 105.722 -1.955 . . . . 0.0 105.722 178.64 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.548 ' HB2' ' HB3' ' A' ' 3' ' ' ALA . 2.3 mp -114.76 161.78 17.72 Favored 'General case' 0 C--N 1.354 0.765 0 CA-C-N 113.174 -1.83 . . . . 0.0 109.628 -178.416 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 81.4 tttt -111.5 111.58 22.7 Favored 'General case' 0 C--O 1.217 -0.651 0 CA-C-N 110.301 -3.136 . . . . 0.0 110.09 178.178 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.548 HG23 ' HB2' ' A' ' 3' ' ' ALA . 70.2 t -89.79 104.26 14.95 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.362 0 N-CA-C 106.745 -1.576 . . . . 0.0 106.745 -177.596 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -90.45 -32.43 16.4 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-N 110.564 -3.016 . . . . 0.0 109.765 -177.892 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 43.2 t30 . . . . . 0 CA--C 1.548 0.882 0 CA-C-N 114.084 -1.417 . . . . 0.0 109.35 -179.631 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.53 ' N ' ' HZ2' ' A' ' 50' ' ' LYS . 64.1 m-80 . . . . . 0 C--O 1.215 -0.718 0 CA-C-O 118.905 -0.569 . . . . 0.0 112.31 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 70.0 m95 -138.48 117.61 12.61 Favored 'General case' 0 C--N 1.345 0.404 0 C-N-CA 118.039 -1.464 . . . . 0.0 109.685 178.877 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.46 ' O ' ' HA ' ' A' ' 47' ' ' PHE . 24.4 m-85 -102.05 168.63 9.27 Favored 'General case' 0 C--O 1.215 -0.739 0 CA-C-N 110.677 -2.965 . . . . 0.0 106.607 177.665 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 53.1 tttm -123.89 111.94 16.66 Favored 'General case' 0 N--CA 1.448 -0.527 0 O-C-N 125.809 1.943 . . . . 0.0 106.334 179.399 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -133.9 -179.1 5.33 Favored 'General case' 0 C--N 1.352 0.698 0 CA-C-N 114.277 -1.329 . . . . 0.0 110.553 -177.494 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -122.98 150.38 43.07 Favored 'General case' 0 C--N 1.354 0.795 0 CA-C-O 123.804 1.764 . . . . 0.0 111.518 -177.569 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . 0.27 12.1 mt -159.79 169.2 24.12 Favored 'General case' 0 CA--C 1.503 -0.848 0 CA-C-N 109.129 -3.668 . . . . 0.0 109.707 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . 0.308 1.0 OUTLIER 45.36 -81.85 0.0 OUTLIER 'General case' 0 N--CA 1.438 -1.03 0 CA-C-N 109.056 -3.702 . . . . 0.0 114.456 171.483 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -160.73 10.34 0.13 Allowed Glycine 0 CA--C 1.537 1.424 1 CA-C-N 108.015 -4.175 . . . . 0.0 111.584 178.677 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -137.49 139.71 40.72 Favored 'General case' 0 C--N 1.357 0.898 0 CA-C-O 122.003 0.906 . . . . 0.0 110.445 -179.736 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -102.15 138.01 39.66 Favored 'General case' 0 CA--C 1.559 1.289 0 N-CA-C 105.209 -2.145 . . . . 0.0 105.209 176.053 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -169.58 176.21 43.57 Favored Glycine 0 C--N 1.349 1.259 0 C-N-CA 119.53 -1.319 . . . . 0.0 112.775 -177.534 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.46 ' HA ' ' O ' ' A' ' 37' ' ' TYR . 96.5 m-85 -80.4 144.77 32.41 Favored 'General case' 0 C--N 1.354 0.775 0 CA-C-N 113.285 -1.457 . . . . 0.0 111.901 -179.462 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 25.5 pt -139.15 139.14 22.24 Favored Pre-proline 0 CA--C 1.553 1.082 0 CA-C-N 113.456 -1.702 . . . . 0.0 109.281 -179.611 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.513 ' HA ' ' O ' ' A' ' 35' ' ' ASN . 5.2 Cg_exo -66.89 145.11 73.34 Favored 'Trans proline' 0 CA--C 1.558 1.694 0 C-N-CA 122.296 1.997 . . . . 0.0 115.115 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.53 ' HZ2' ' N ' ' A' ' 35' ' ' ASN . 27.7 mtmm -69.49 -38.65 77.75 Favored 'General case' 0 C--N 1.378 1.843 0 C-N-CA 113.996 -3.081 . . . . 0.0 112.679 178.594 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 20.5 p-10 -58.83 -19.41 41.11 Favored 'General case' 0 CA--C 1.553 1.062 0 N-CA-C 114.42 1.267 . . . . 0.0 114.42 -179.768 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.439 ' CE1' HG22 ' B' ' 5' ' ' VAL . 12.4 m-85 -95.02 -5.95 43.36 Favored 'General case' 0 C--N 1.354 0.766 0 N-CA-C 114.263 1.209 . . . . 0.0 114.263 -179.614 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.648 HD12 ' HB1' ' A' ' 3' ' ' ALA . 0.1 OUTLIER -129.55 162.19 37.59 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.892 0 CA-C-O 123.171 1.462 . . . . 0.0 110.714 -179.355 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 . . . . . 0 N--CA 1.447 -0.617 0 CA-C-N 110.503 -3.044 . . . . 0.0 104.445 177.034 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 2.5 m . . . . . 0 N--CA 1.432 -1.338 0 N-CA-C 108.25 -1.019 . . . . 0.0 108.25 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 2' ' ' PRO . . . . . 0.45 ' HA ' ' HD3' ' B' ' 3' ' ' PRO . 53.3 Cg_exo -47.2 130.87 17.41 Favored 'Trans proline' 0 CA--C 1.578 2.686 0 N-CA-C 116.262 1.601 . . . . 0.0 116.262 -179.308 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 3' ' ' PRO . . . . . 0.45 ' HD3' ' HA ' ' B' ' 2' ' ' PRO . 88.9 Cg_exo -46.29 162.09 0.14 Allowed 'Trans proline' 0 C--N 1.38 2.211 1 C-N-CA 125.977 4.452 . . . . 0.0 119.443 -177.477 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -77.01 113.55 3.64 Favored 'Trans proline' 0 C--N 1.361 1.225 0 N-CA-C 106.552 -2.134 . . . . 0.0 106.552 175.522 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 5' ' ' VAL . . . . . 0.439 HG22 ' CE1' ' A' ' 52' ' ' TYR . 1.5 t -64.38 134.54 96.02 Favored Pre-proline 0 CA--C 1.56 1.336 0 CA-C-N 111.145 -2.752 . . . . 0.0 111.366 -177.118 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 6' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' B' ' 5' ' ' VAL . 38.2 Cg_exo -57.75 161.04 13.3 Favored 'Trans proline' 0 C--N 1.371 1.736 0 C-N-CA 122.47 2.114 . . . . 0.0 115.482 -179.028 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -76.65 118.0 4.71 Favored 'Trans proline' 0 C--N 1.362 1.262 0 C-N-CA 121.505 1.47 . . . . 0.0 109.64 177.288 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 8' ' ' ARG . . . . . 0.571 ' HD3' ' H ' ' B' ' 8' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.349 0.572 0 CA-C-N 113.905 -1.498 . . . . 0.0 109.016 179.675 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.4 ttt . . . . . 0 CA--C 1.537 0.447 0 N-CA-C 106.414 -1.699 . . . . 0.0 106.414 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -62.68 119.04 8.5 Favored 'General case' 0 C--N 1.354 0.792 0 CA-C-N 113.275 -1.784 . . . . 0.0 110.67 -178.36 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.614 ' HB1' HD12 ' A' ' 53' ' ' ILE . . . -107.16 145.29 32.74 Favored 'General case' 0 N--CA 1.445 -0.675 0 CA-C-N 111.262 -2.699 . . . . 0.0 109.076 179.791 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 34.2 mt -145.02 114.52 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.351 0.643 0 CA-C-N 113.836 -1.529 . . . . 0.0 109.402 -178.734 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.46 ' HB3' ' H ' ' A' ' 22' ' ' GLY . . . -66.89 122.7 18.28 Favored 'General case' 0 CA--C 1.548 0.898 0 CA-C-N 114.605 -1.18 . . . . 0.0 110.203 178.227 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 23.7 mtmm -87.02 -24.59 24.59 Favored 'General case' 0 C--N 1.344 0.356 0 CA-C-N 113.768 -1.56 . . . . 0.0 110.676 179.257 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 78.7 m-85 -140.05 169.57 17.46 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 112.915 -1.948 . . . . 0.0 110.95 -178.735 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -83.78 122.73 29.06 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-N 109.266 -3.607 . . . . 0.0 107.011 179.637 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 33.2 t80 -138.89 150.27 45.78 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 112.786 -2.006 . . . . 0.0 111.185 -178.561 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 43.0 mttp -133.03 137.54 46.49 Favored 'General case' 0 N--CA 1.446 -0.649 0 CA-C-N 110.372 -3.104 . . . . 0.0 108.524 176.413 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -51.72 142.92 13.77 Favored 'General case' 0 C--N 1.346 0.443 0 CA-C-N 111.856 -2.429 . . . . 0.0 112.085 179.388 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 69.4 p -107.49 -51.16 2.95 Favored 'General case' 0 N--CA 1.448 -0.525 0 CA-C-N 110.95 -2.841 . . . . 0.0 107.391 178.261 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -88.85 173.84 8.3 Favored 'General case' 0 N--CA 1.445 -0.676 0 CA-C-N 111.976 -2.374 . . . . 0.0 109.024 179.136 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -87.6 -20.06 26.92 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-N 110.592 -3.004 . . . . 0.0 112.536 -179.134 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 16.0 p-10 -91.58 -8.2 48.05 Favored 'General case' 0 CA--C 1.548 0.885 0 CA-C-N 113.052 -1.886 . . . . 0.0 110.307 178.485 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -99.7 156.31 17.15 Favored 'General case' 0 C--N 1.351 0.643 0 CA-C-N 112.371 -2.195 . . . . 0.0 109.12 -179.29 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.9 pp -135.74 159.24 42.26 Favored 'General case' 0 C--N 1.351 0.638 0 CA-C-N 112.358 -2.201 . . . . 0.0 110.732 178.151 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 54.8 m -86.4 155.46 20.57 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 110.623 -2.989 . . . . 0.0 112.191 -176.749 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.418 ' HB3' HD11 ' A' ' 41' ' ' LEU . 37.2 p90 -159.65 146.18 16.3 Favored 'General case' 0 C--O 1.219 -0.525 0 CA-C-N 111.39 -2.641 . . . . 0.0 107.257 178.442 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 49.8 pttt -104.86 146.65 28.7 Favored 'General case' 0 C--O 1.224 -0.265 0 CA-C-N 113.4 -1.727 . . . . 0.0 106.782 179.675 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 5.5 tmm_? -46.05 100.96 0.02 OUTLIER 'General case' 0 CA--C 1.549 0.905 0 O-C-N 125.517 1.761 . . . . 0.0 111.698 178.692 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.46 ' H ' ' HB3' ' A' ' 5' ' ' ALA . . . 125.29 -3.69 8.29 Favored Glycine 0 C--N 1.352 1.452 0 CA-C-N 113.449 -1.705 . . . . 0.0 114.993 179.479 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 -74.61 142.83 44.57 Favored 'General case' 0 C--N 1.365 1.255 0 C-N-CA 116.409 -2.116 . . . . 0.0 109.704 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 45.4 mm -100.46 116.38 43.76 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.399 0 CA-C-N 111.774 -2.466 . . . . 0.0 105.283 179.261 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.909 HD12 ' HG ' ' A' ' 41' ' ' LEU . 0.2 OUTLIER -102.83 -177.45 3.38 Favored 'General case' 0 C--N 1.35 0.629 0 CA-C-N 113.735 -1.575 . . . . 0.0 109.758 -178.337 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 12.8 mmmt -129.47 110.13 11.62 Favored 'General case' 0 C--O 1.215 -0.715 0 CA-C-N 110.074 -3.239 . . . . 0.0 107.673 179.255 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.485 HG23 ' HB2' ' A' ' 3' ' ' ALA . 9.4 t -87.95 99.05 8.23 Favored 'Isoleucine or valine' 0 C--N 1.348 0.537 0 CA-C-O 124.307 2.003 . . . . 0.0 109.413 -176.511 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.1 mp -95.18 73.21 3.37 Favored 'General case' 0 CA--C 1.546 0.808 0 CA-C-N 108.405 -3.998 . . . . 0.0 109.573 178.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 78.26 169.99 0.2 Allowed 'General case' 0 CA--C 1.553 1.089 0 CA-C-N 113.392 -1.731 . . . . 0.0 113.6 177.627 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -158.08 139.25 13.34 Favored 'General case' 0 CA--C 1.548 0.888 0 CA-C-N 110.475 -3.057 . . . . 0.0 105.951 179.196 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -157.04 112.71 2.89 Favored 'General case' 0 CA--C 1.546 0.798 0 CA-C-O 122.418 1.104 . . . . 0.0 109.101 -178.459 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 43.4 m 77.73 -42.94 0.39 Allowed 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 111.934 -2.393 . . . . 0.0 112.862 178.463 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -68.48 101.05 1.18 Allowed 'General case' 0 CA--C 1.544 0.74 0 CA-C-O 123.411 1.577 . . . . 0.0 111.141 179.72 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -106.46 60.72 0.64 Allowed 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 111.579 -2.555 . . . . 0.0 108.34 178.801 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 28.8 m-20 175.5 -15.46 0.0 OUTLIER 'General case' 0 CA--C 1.543 0.691 0 CA-C-N 109.971 -3.286 . . . . 0.0 110.841 -177.364 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.413 ' CD1' ' HD3' ' B' ' 8' ' ' ARG . 60.5 m95 -138.61 140.08 38.81 Favored 'General case' 0 C--N 1.361 1.09 0 CA-C-O 121.929 0.871 . . . . 0.0 110.986 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.438 ' O ' ' HA ' ' A' ' 47' ' ' PHE . 11.8 m-85 -104.33 172.58 6.72 Favored 'General case' 0 C--O 1.218 -0.56 0 N-CA-C 106.079 -1.823 . . . . 0.0 106.079 177.142 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 83.9 tttt -128.21 83.64 2.17 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 103.613 -2.736 . . . . 0.0 103.613 177.011 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -105.86 -175.66 2.86 Favored 'General case' 0 C--N 1.358 0.936 0 CA-C-N 113.165 -1.834 . . . . 0.0 111.103 -176.777 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -131.11 145.0 51.83 Favored 'General case' 0 C--N 1.36 1.03 0 CA-C-O 123.394 1.569 . . . . 0.0 112.629 -178.819 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.909 ' HG ' HD12 ' A' ' 25' ' ' LEU 0.323 10.8 mt -160.73 137.62 8.93 Favored 'General case' 0 C--N 1.351 0.663 0 CA-C-N 109.933 -3.303 . . . . 0.0 114.051 178.732 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 55.75 32.45 19.49 Favored 'General case' 0 CA--C 1.545 0.785 0 CA-C-N 110.618 -2.992 . . . . 0.0 114.387 170.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 75.2 17.57 80.2 Favored Glycine 0 C--N 1.354 1.562 0 CA-C-N 113.478 -1.692 . . . . 0.0 113.76 -179.69 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 28.9 mtpp -136.03 131.49 35.02 Favored 'General case' 0 C--N 1.353 0.74 0 N-CA-C 108.427 -0.953 . . . . 0.0 108.427 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -98.65 144.43 27.93 Favored 'General case' 0 CA--C 1.546 0.799 0 N-CA-C 105.095 -2.187 . . . . 0.0 105.095 177.327 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -173.41 172.34 45.12 Favored Glycine 0 C--N 1.343 0.939 0 C-N-CA 119.269 -1.443 . . . . 0.0 112.0 -178.22 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.438 ' HA ' ' O ' ' A' ' 37' ' ' TYR . 99.3 m-85 -81.05 138.93 35.98 Favored 'General case' 0 C--N 1.347 0.461 0 CA-C-N 112.127 -2.037 . . . . 0.0 111.863 -179.426 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 47.2 pt -139.27 138.26 20.43 Favored Pre-proline 0 CA--C 1.545 0.788 0 CA-C-N 112.256 -2.247 . . . . 0.0 107.191 179.45 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -66.49 140.34 57.08 Favored 'Trans proline' 0 C--N 1.365 1.409 0 C-N-CA 121.624 1.549 . . . . 0.0 112.888 -179.64 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 84.4 mttt -72.1 -22.86 61.29 Favored 'General case' 0 C--N 1.358 0.951 0 C-N-CA 119.306 -0.957 . . . . 0.0 111.471 -179.176 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.409 HD22 ' HB2' ' B' ' 3' ' ' PRO . 7.6 p-10 -77.39 -19.97 55.39 Favored 'General case' 0 CA--C 1.546 0.812 0 CA-C-N 114.024 -1.444 . . . . 0.0 112.699 179.39 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.453 ' CE1' HG22 ' B' ' 5' ' ' VAL . 8.6 m-85 -92.31 -2.47 56.39 Favored 'General case' 0 CA--C 1.551 0.998 0 C-N-CA 118.745 -1.182 . . . . 0.0 112.846 178.05 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.614 HD12 ' HB1' ' A' ' 3' ' ' ALA . 0.1 OUTLIER -130.9 159.08 43.2 Favored 'Isoleucine or valine' 0 C--N 1.358 0.972 0 CA-C-O 122.514 1.149 . . . . 0.0 110.496 179.141 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 70.5 tt0 -114.2 112.54 23.33 Favored 'General case' 0 C--N 1.35 0.602 0 CA-C-N 111.703 -2.498 . . . . 0.0 105.461 176.694 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' MET . . . . . 0.474 ' SD ' ' N ' ' A' ' 55' ' ' MET . 2.5 mpp? -90.47 160.66 15.9 Favored 'General case' 0 C--N 1.342 0.281 0 CA-C-N 114.493 -1.231 . . . . 0.0 111.349 -179.124 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -154.52 83.53 4.04 Favored Pre-proline 0 CA--C 1.553 1.085 0 CA-C-N 112.235 -2.257 . . . . 0.0 108.951 -179.32 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 90.2 Cg_endo . . . . . 0 C--N 1.368 1.596 0 C-N-CA 122.819 2.346 . . . . 0.0 113.136 179.85 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.225 -0.204 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 87.5 t 21.7 82.35 0.13 Allowed Pre-proline 0 CA--C 1.551 0.986 0 O-C-N 126.391 2.307 . . . . 0.0 112.607 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_exo -49.19 149.22 9.04 Favored 'Trans proline' 0 CA--C 1.56 1.796 0 C-N-CA 122.016 1.811 . . . . 0.0 115.283 -179.577 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 3' ' ' PRO . . . . . 0.409 ' HB2' HD22 ' A' ' 51' ' ' ASN . 85.6 Cg_exo -47.79 159.83 0.52 Allowed 'Trans proline' 0 C--N 1.367 1.506 0 C-N-CA 124.681 3.587 . . . . 0.0 118.071 -179.825 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 63.6 Cg_endo -80.91 120.99 3.93 Favored 'Trans proline' 0 C--N 1.363 1.318 0 N-CA-C 104.956 -2.748 . . . . 0.0 104.956 174.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 5' ' ' VAL . . . . . 0.453 HG22 ' CE1' ' A' ' 52' ' ' TYR . 1.8 t -66.74 137.84 95.13 Favored Pre-proline 0 CA--C 1.546 0.8 0 CA-C-N 111.479 -2.6 . . . . 0.0 110.262 -177.257 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_exo -60.4 150.51 80.37 Favored 'Trans proline' 0 C--N 1.359 1.128 0 N-CA-C 114.957 1.099 . . . . 0.0 114.957 -179.562 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -80.65 104.76 1.63 Allowed 'Trans proline' 0 C--N 1.359 1.111 0 N-CA-C 106.85 -2.019 . . . . 0.0 106.85 176.566 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 8' ' ' ARG . . . . . 0.603 ' HD2' ' H ' ' B' ' 9' ' ' ARG . 2.2 tpt180 -90.29 170.48 10.23 Favored 'General case' 0 CA--C 1.548 0.871 0 CA-C-N 113.409 -1.723 . . . . 0.0 110.069 -178.039 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 9' ' ' ARG . . . . . 0.603 ' H ' ' HD2' ' B' ' 8' ' ' ARG . 75.6 mtt85 -160.29 51.88 0.31 Allowed 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 126.332 1.853 . . . . 0.0 107.33 -179.11 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 10' ' ' ARG . . . . . 0.434 ' HD2' HH21 ' B' ' 8' ' ' ARG . 3.0 tpm_? -78.31 86.12 4.41 Favored 'General case' 0 C--N 1.351 0.671 0 CA-C-N 113.745 -1.57 . . . . 0.0 110.262 -179.018 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.34 0.178 0 CA-C-N 113.372 -1.74 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 32.1 tpp . . . . . 0 N--CA 1.448 -0.562 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 42.1 mm-40 -83.06 114.49 21.33 Favored 'General case' 0 C--N 1.349 0.551 0 CA-C-N 113.651 -1.613 . . . . 0.0 107.536 179.436 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.694 ' HB1' HD12 ' A' ' 53' ' ' ILE . . . -101.69 153.9 19.36 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 111.145 -2.752 . . . . 0.0 111.147 -177.505 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 63.0 mt -146.21 110.47 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.348 0.543 0 CA-C-N 112.661 -2.063 . . . . 0.0 108.728 -179.098 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -67.37 126.04 28.0 Favored 'General case' 0 CA--C 1.552 1.031 0 CA-C-N 114.7 -1.136 . . . . 0.0 108.929 177.595 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 39.6 mtmt -87.88 -23.96 23.8 Favored 'General case' 0 C--N 1.341 0.235 0 CA-C-N 113.822 -1.535 . . . . 0.0 111.818 179.676 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.563 ' CE1' ' HD3' ' B' ' 2' ' ' PRO . 64.9 m-85 -139.98 171.95 13.46 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 113.038 -1.892 . . . . 0.0 111.462 -178.251 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -85.92 133.89 33.92 Favored 'General case' 0 N--CA 1.444 -0.752 0 CA-C-N 109.127 -3.669 . . . . 0.0 104.259 177.391 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 28.1 t80 -140.41 149.06 42.15 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-N 110.134 -3.212 . . . . 0.0 110.689 -178.675 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.453 ' H ' ' HD2' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -132.79 126.4 32.29 Favored 'General case' 0 CA--C 1.537 0.481 0 CA-C-N 109.981 -3.282 . . . . 0.0 106.961 178.085 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -52.1 153.0 2.9 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-O 123.24 1.495 . . . . 0.0 112.723 179.633 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 18.2 p -109.54 -12.57 14.67 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 110.376 -3.102 . . . . 0.0 111.21 179.566 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -151.03 164.75 35.7 Favored 'General case' 0 C--N 1.349 0.55 0 CA-C-N 112.992 -1.913 . . . . 0.0 109.136 -178.651 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -66.17 -26.85 67.6 Favored 'General case' 0 CA--C 1.549 0.94 0 CA-C-N 111.944 -2.389 . . . . 0.0 112.294 -178.849 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -78.75 -18.59 53.98 Favored 'General case' 0 C--N 1.354 0.794 0 CA-C-N 113.828 -1.533 . . . . 0.0 112.202 179.815 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -98.96 158.0 15.94 Favored 'General case' 0 C--N 1.347 0.471 0 CA-C-N 113.257 -1.792 . . . . 0.0 107.736 179.65 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.51 HD12 ' O ' ' A' ' 18' ' ' SER . 0.2 OUTLIER -134.32 157.12 47.15 Favored 'General case' 0 C--N 1.35 0.588 0 CA-C-N 113.21 -1.814 . . . . 0.0 109.276 179.39 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.51 ' O ' HD12 ' A' ' 17' ' ' LEU . 49.7 m -86.81 157.88 19.48 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-N 110.78 -2.918 . . . . 0.0 111.65 -177.615 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 30.8 p90 -160.55 152.98 20.63 Favored 'General case' 0 C--O 1.22 -0.456 0 CA-C-N 111.717 -2.492 . . . . 0.0 107.147 177.163 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 39.5 mtmt -106.38 144.12 33.52 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-N 112.308 -2.224 . . . . 0.0 107.181 -179.61 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 6.1 tmm_? -45.94 102.41 0.03 OUTLIER 'General case' 0 CA--C 1.549 0.907 0 O-C-N 125.519 1.762 . . . . 0.0 111.184 177.827 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 123.52 -6.06 9.2 Favored Glycine 0 C--N 1.352 1.455 0 CA-C-N 113.544 -1.662 . . . . 0.0 114.596 179.592 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 71.2 m-20 -75.94 143.12 41.8 Favored 'General case' 0 C--N 1.365 1.248 0 C-N-CA 116.204 -2.198 . . . . 0.0 108.646 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 89.8 mt -98.18 126.99 51.08 Favored 'Isoleucine or valine' 0 C--N 1.341 0.206 0 N-CA-C 103.536 -2.764 . . . . 0.0 103.536 179.163 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.547 ' CD1' HD11 ' A' ' 41' ' ' LEU . 1.4 mm? -101.87 168.92 9.12 Favored 'General case' 0 CA--C 1.508 -0.661 0 CA-C-O 123.628 1.68 . . . . 0.0 110.198 -177.649 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 12.4 tmtt? -117.91 107.27 13.88 Favored 'General case' 0 C--O 1.215 -0.754 0 CA-C-N 108.593 -3.912 . . . . 0.0 108.832 -179.502 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 10.1 t -87.84 131.06 36.45 Favored 'Isoleucine or valine' 0 C--N 1.346 0.456 0 C-N-CA 116.265 -2.174 . . . . 0.0 108.173 -177.08 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 27.2 tp -143.94 80.95 1.67 Allowed 'General case' 0 N--CA 1.447 -0.612 0 CA-C-N 109.692 -3.413 . . . . 0.0 105.681 -177.265 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 80.3 m-20 86.88 170.48 0.06 Allowed 'General case' 0 C--N 1.349 0.578 0 CA-C-N 109.901 -3.318 . . . . 0.0 107.663 -177.883 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 80.8 mt-10 -134.19 -168.1 2.07 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 112.731 -2.032 . . . . 0.0 108.182 -179.013 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -134.98 120.7 19.49 Favored 'General case' 0 N--CA 1.432 -1.327 0 N-CA-C 102.128 -3.286 . . . . 0.0 102.128 178.685 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 60.7 m -60.57 7.86 0.03 OUTLIER 'General case' 0 CA--C 1.546 0.792 0 CA-C-N 111.861 -2.427 . . . . 0.0 114.912 -179.163 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 45.0 m-20 -93.02 19.28 8.0 Favored 'General case' 0 C--N 1.359 1.012 0 N-CA-C 114.106 1.15 . . . . 0.0 114.106 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 20.2 tt0 27.39 58.87 0.09 Allowed 'General case' 0 C--O 1.224 -0.237 0 C-N-CA 131.174 3.79 . . . . 0.0 112.692 177.061 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.419 ' H ' ' H ' ' A' ' 36' ' ' TRP . 42.4 m-80 -168.15 -12.92 0.02 OUTLIER 'General case' 0 N--CA 1.442 -0.842 0 CA-C-N 109.814 -3.357 . . . . 0.0 110.46 -176.216 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.419 ' H ' ' H ' ' A' ' 35' ' ' ASN . 84.9 m95 -137.23 147.02 45.5 Favored 'General case' 0 C--N 1.357 0.898 0 CA-C-O 122.773 1.273 . . . . 0.0 110.691 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.409 ' OH ' ' SD ' ' A' ' 55' ' ' MET . 10.2 m-85 -129.59 149.71 51.23 Favored 'General case' 0 C--O 1.219 -0.519 0 CA-C-N 111.264 -2.698 . . . . 0.0 108.051 178.222 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 38.3 ttmt -103.42 116.21 31.99 Favored 'General case' 0 CA--C 1.536 0.412 0 N-CA-C 105.397 -2.075 . . . . 0.0 105.397 176.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -137.2 178.35 7.16 Favored 'General case' 0 C--N 1.351 0.663 0 C-N-CA 118.573 -1.251 . . . . 0.0 111.129 -179.425 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -129.74 146.93 51.48 Favored 'General case' 0 C--N 1.361 1.078 0 CA-C-O 123.016 1.388 . . . . 0.0 112.677 -177.261 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.547 HD11 ' CD1' ' A' ' 25' ' ' LEU 0.333 9.4 mt -161.11 138.45 9.04 Favored 'General case' 0 C--N 1.353 0.727 0 CA-C-N 110.15 -3.204 . . . . 0.0 112.681 178.66 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 56.29 28.76 13.83 Favored 'General case' 0 CA--C 1.549 0.921 0 CA-C-N 111.995 -2.366 . . . . 0.0 115.162 170.895 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 72.52 21.6 79.41 Favored Glycine 0 CA--C 1.541 1.695 0 CA-C-N 114.511 -1.222 . . . . 0.0 113.386 -179.468 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -137.08 114.71 11.16 Favored 'General case' 0 C--N 1.35 0.623 0 CA-C-N 113.64 -1.28 . . . . 0.0 108.118 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -97.5 137.9 35.74 Favored 'General case' 0 CA--C 1.551 0.991 0 CA-C-N 113.765 -1.561 . . . . 0.0 107.862 179.435 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -169.39 175.12 43.75 Favored Glycine 0 C--N 1.348 1.211 0 CA-C-N 113.574 -1.648 . . . . 0.0 112.493 -178.372 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -80.57 149.66 29.84 Favored 'General case' 0 CA--C 1.542 0.661 0 CA-C-N 113.622 -1.289 . . . . 0.0 111.345 179.521 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 31.2 pt -140.65 141.21 24.24 Favored Pre-proline 0 CA--C 1.549 0.923 0 CA-C-N 111.924 -2.398 . . . . 0.0 107.446 179.384 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 5.4 Cg_endo -74.06 144.79 34.44 Favored 'Trans proline' 0 C--N 1.362 1.288 0 C-N-CA 121.761 1.641 . . . . 0.0 113.1 179.447 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 36.6 mtmt -71.59 -33.19 68.82 Favored 'General case' 0 C--N 1.362 1.134 0 C-N-CA 116.431 -2.107 . . . . 0.0 112.308 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . 0.352 0.9 OUTLIER -69.34 -9.01 51.42 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 117.213 -1.795 . . . . 0.0 114.221 -179.872 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.403 ' CE1' HG22 ' B' ' 5' ' ' VAL . 15.1 m-85 -95.31 -4.76 44.96 Favored 'General case' 0 C--N 1.354 0.784 0 C-N-CA 119.407 -0.917 . . . . 0.0 112.253 177.39 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.694 HD12 ' HB1' ' A' ' 3' ' ' ALA . 0.1 OUTLIER -128.4 166.23 26.14 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.035 0 CA-C-O 123.125 1.441 . . . . 0.0 110.937 179.18 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.413 ' N ' ' CG1' ' A' ' 53' ' ' ILE . 36.1 tt0 -122.73 122.77 39.53 Favored 'General case' 0 CA--C 1.545 0.762 0 CA-C-N 110.6 -3.0 . . . . 0.0 106.132 177.475 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' MET . . . . . 0.409 ' SD ' ' OH ' ' A' ' 37' ' ' TYR . 35.2 mtm -88.16 170.52 10.97 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-O 123.01 1.386 . . . . 0.0 112.499 -178.628 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 48.9 mtmt -155.45 94.12 2.6 Favored Pre-proline 0 CA--C 1.55 0.951 0 CA-C-N 110.856 -2.883 . . . . 0.0 108.614 178.716 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo . . . . . 0 C--N 1.366 1.485 0 C-N-CA 121.334 1.356 . . . . 0.0 110.952 178.761 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.223 -0.322 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 1' ' ' VAL . . . . . 0.542 ' N ' ' HD2' ' B' ' 2' ' ' PRO 2.308 7.5 p -16.02 -66.31 0.03 OUTLIER Pre-proline 0 CA--C 1.556 1.202 0 C-N-CA 128.023 2.529 . . . . 0.0 115.377 . . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 2' ' ' PRO . . . . . 0.563 ' HD3' ' CE1' ' A' ' 7' ' ' TYR 0.393 51.9 Cg_exo 10.25 113.21 0.0 OUTLIER 'Trans proline' 0 CA--C 1.563 1.971 1 C-N-CA 127.249 5.299 . . . . 0.0 119.74 -178.865 . . . . . . . . 4 3 . 1 . 002 nuclear build full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo -40.31 158.47 0.04 OUTLIER 'Trans proline' 0 C--N 1.38 2.198 1 C-N-CA 125.381 4.054 . . . . 0.0 119.272 -177.319 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_endo -73.19 112.53 3.55 Favored 'Trans proline' 0 C--N 1.359 1.131 0 N-CA-C 105.213 -2.649 . . . . 0.0 105.213 175.63 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 5' ' ' VAL . . . . . 0.408 HG23 ' H ' ' B' ' 5' ' ' VAL . 2.4 t -57.94 135.8 83.66 Favored Pre-proline 0 CA--C 1.546 0.822 0 CA-C-N 111.322 -2.672 . . . . 0.0 109.547 -177.89 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 6' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' B' ' 5' ' ' VAL . 32.3 Cg_exo -56.87 160.86 11.4 Favored 'Trans proline' 0 C--N 1.362 1.254 0 N-CA-C 115.371 1.258 . . . . 0.0 115.371 -178.913 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -77.23 115.93 4.06 Favored 'Trans proline' 0 C--N 1.358 1.073 0 N-CA-C 108.204 -1.499 . . . . 0.0 108.204 176.585 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.64 70.88 8.85 Favored 'General case' 0 C--N 1.35 0.618 0 CA-C-O 123.729 1.728 . . . . 0.0 106.904 178.89 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 7.9 ptm85 162.94 84.27 0.0 OUTLIER 'General case' 0 N--CA 1.442 -0.864 0 CA-C-N 109.518 -3.492 . . . . 0.0 106.437 -177.852 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -49.04 96.14 0.01 OUTLIER 'General case' 0 C--N 1.346 0.452 0 CA-C-N 112.215 -2.266 . . . . 0.0 111.075 179.564 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 112.048 -2.342 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 51.5 ttm . . . . . 0 N--CA 1.448 -0.549 0 N-CA-C 106.095 -1.817 . . . . 0.0 106.095 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -81.02 120.66 25.08 Favored 'General case' 0 C--N 1.356 0.856 0 CA-C-N 112.711 -2.041 . . . . 0.0 107.137 179.513 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.656 ' HB1' HD12 ' A' ' 53' ' ' ILE . . . -103.13 142.33 34.32 Favored 'General case' 0 CA--C 1.535 0.404 0 CA-C-N 111.434 -2.621 . . . . 0.0 108.596 -178.552 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 87.4 mt -137.85 116.24 13.66 Favored 'Isoleucine or valine' 0 C--N 1.348 0.543 0 CA-C-N 113.248 -1.796 . . . . 0.0 109.379 -176.399 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -67.28 123.02 19.18 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 113.559 -1.655 . . . . 0.0 109.586 178.214 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 35.3 mtmt -88.04 -23.43 23.77 Favored 'General case' 0 C--N 1.343 0.32 0 CA-C-N 113.678 -1.601 . . . . 0.0 110.798 179.003 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.431 ' CG ' ' HB3' ' B' ' 2' ' ' PRO . 97.1 m-85 -139.98 168.82 18.93 Favored 'General case' 0 C--N 1.348 0.529 0 CA-C-N 113.22 -1.809 . . . . 0.0 111.576 -178.575 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -85.18 129.38 34.81 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 109.906 -3.315 . . . . 0.0 107.778 179.547 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 16.5 t80 -139.05 150.96 46.36 Favored 'General case' 0 C--N 1.348 0.537 0 CA-C-N 112.098 -2.319 . . . . 0.0 112.599 -177.865 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.506 ' H ' ' HD3' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -136.34 115.72 12.68 Favored 'General case' 0 CA--C 1.544 0.719 0 CA-C-N 108.571 -3.922 . . . . 0.0 107.417 178.492 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -50.31 163.28 0.17 Allowed 'General case' 0 N--CA 1.477 0.896 0 CA-C-N 113.591 -1.641 . . . . 0.0 114.293 -179.771 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.0 p -108.25 -17.08 14.1 Favored 'General case' 0 C--N 1.35 0.613 0 CA-C-N 110.465 -3.061 . . . . 0.0 112.112 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -152.42 176.4 11.69 Favored 'General case' 0 C--N 1.348 0.532 0 CA-C-N 113.321 -1.763 . . . . 0.0 111.301 -178.638 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -71.43 -24.3 62.01 Favored 'General case' 0 CA--C 1.55 0.965 0 CA-C-N 110.78 -2.918 . . . . 0.0 112.43 -179.11 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -80.28 -21.94 42.14 Favored 'General case' 0 CA--C 1.547 0.84 0 CA-C-N 114.385 -1.279 . . . . 0.0 111.545 179.026 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -99.76 157.19 16.67 Favored 'General case' 0 C--N 1.349 0.577 0 CA-C-N 113.145 -1.843 . . . . 0.0 108.464 179.24 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . 0.29 3.7 pp -137.73 161.42 36.57 Favored 'General case' 0 C--N 1.351 0.669 0 CA-C-O 124.155 1.931 . . . . 0.0 111.976 177.863 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 31.1 m -86.85 150.73 23.91 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-N 109.013 -3.721 . . . . 0.0 113.37 -176.367 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 43.6 p90 -160.42 142.92 13.08 Favored 'General case' 0 C--O 1.217 -0.654 0 CA-C-N 109.564 -3.471 . . . . 0.0 106.134 178.415 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -106.3 153.39 22.25 Favored 'General case' 0 C--O 1.222 -0.384 0 N-CA-C 104.842 -2.281 . . . . 0.0 104.842 179.349 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 34.1 ttp85 -47.39 111.44 0.41 Allowed 'General case' 0 CA--C 1.547 0.864 0 O-C-N 124.776 1.298 . . . . 0.0 112.151 178.473 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 114.38 -3.85 23.5 Favored Glycine 0 C--N 1.346 1.132 0 CA-C-N 112.486 -2.143 . . . . 0.0 114.198 179.393 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -75.63 145.03 41.39 Favored 'General case' 0 C--N 1.369 1.414 0 C-N-CA 115.802 -2.359 . . . . 0.0 108.833 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -97.65 125.65 50.76 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.127 0 CA-C-N 112.342 -2.208 . . . . 0.0 107.151 178.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.62 ' HB2' ' HB3' ' A' ' 3' ' ' ALA . 0.4 OUTLIER -104.32 176.31 5.2 Favored 'General case' 0 C--N 1.352 0.68 0 CA-C-N 113.062 -1.881 . . . . 0.0 109.225 -179.287 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 48.9 tptt -130.0 109.08 10.59 Favored 'General case' 0 C--O 1.215 -0.749 0 CA-C-N 109.503 -3.499 . . . . 0.0 108.817 -178.509 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 31.3 t -88.2 116.15 29.61 Favored 'Isoleucine or valine' 0 C--N 1.344 0.333 0 C-N-CA 117.967 -1.493 . . . . 0.0 109.613 -175.591 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 49.8 tp -93.41 -54.12 3.8 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 110.235 -3.166 . . . . 0.0 110.432 -179.654 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 74.8 m-20 -137.45 152.56 49.69 Favored 'General case' 0 C--N 1.355 0.844 0 CA-C-N 113.76 -1.564 . . . . 0.0 111.679 -178.483 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 -146.0 -161.24 1.27 Allowed 'General case' 0 CA--C 1.547 0.859 0 CA-C-N 111.189 -2.732 . . . . 0.0 106.766 178.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . 0.258 9.1 pt-20 48.34 30.99 2.49 Favored 'General case' 0 C--N 1.355 0.831 0 C-N-CA 125.299 1.44 . . . . 0.0 114.752 179.776 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 90.5 m -114.0 -28.75 7.25 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 113.225 -1.807 . . . . 0.0 109.067 179.175 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -148.38 135.41 20.15 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 112.417 -2.174 . . . . 0.0 107.106 -179.476 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 3.4 mp0 -109.22 64.84 0.61 Allowed 'General case' 0 C--N 1.352 0.685 0 CA-C-N 114.074 -1.421 . . . . 0.0 109.359 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 28.3 m-20 -179.11 -23.29 0.0 OUTLIER 'General case' 0 CA--C 1.545 0.786 0 CA-C-N 110.82 -2.9 . . . . 0.0 108.79 -178.266 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 68.1 m95 -133.12 161.77 33.53 Favored 'General case' 0 C--N 1.361 1.079 0 CA-C-O 122.306 1.05 . . . . 0.0 109.3 -179.295 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 -132.38 146.6 52.08 Favored 'General case' 0 C--N 1.348 0.509 0 CA-C-N 112.169 -2.287 . . . . 0.0 108.048 178.792 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 82.6 tttt -104.51 110.68 23.06 Favored 'General case' 0 C--N 1.35 0.627 0 N-CA-C 105.438 -2.06 . . . . 0.0 105.438 176.83 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -134.6 -176.45 4.23 Favored 'General case' 0 C--N 1.359 0.989 0 O-C-N 124.636 1.21 . . . . 0.0 109.921 -178.356 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 9.8 tm-20 -134.29 146.22 49.8 Favored 'General case' 0 C--N 1.363 1.153 0 CA-C-O 123.043 1.401 . . . . 0.0 112.859 -177.807 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.618 HD11 ' CD1' ' A' ' 25' ' ' LEU 0.351 10.6 mt -160.95 143.21 12.44 Favored 'General case' 0 C--N 1.35 0.601 0 CA-C-N 110.365 -3.107 . . . . 0.0 113.103 179.123 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 57.09 29.91 17.36 Favored 'General case' 0 CA--C 1.545 0.78 0 CA-C-N 110.969 -2.832 . . . . 0.0 115.252 171.09 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 80.56 8.96 87.0 Favored Glycine 0 C--N 1.351 1.402 0 CA-C-N 114.182 -1.372 . . . . 0.0 113.851 -179.589 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.86 135.43 39.76 Favored 'General case' 0 C--N 1.351 0.66 0 CA-C-O 121.923 0.868 . . . . 0.0 109.738 -178.627 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -97.71 144.51 27.27 Favored 'General case' 0 CA--C 1.546 0.808 0 N-CA-C 105.533 -2.025 . . . . 0.0 105.533 177.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -173.09 170.41 43.56 Favored Glycine 0 C--N 1.346 1.084 0 CA-C-N 114.174 -1.375 . . . . 0.0 112.204 -178.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -80.67 142.61 33.77 Favored 'General case' 0 C--N 1.348 0.503 0 CA-C-N 112.374 -1.913 . . . . 0.0 111.213 179.713 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 28.2 pt -138.9 142.61 34.25 Favored Pre-proline 0 CA--C 1.546 0.807 0 CA-C-N 111.114 -2.766 . . . . 0.0 106.202 179.35 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 0.9 OUTLIER -71.91 145.14 44.73 Favored 'Trans proline' 0 C--N 1.362 1.284 0 C-N-CA 121.329 1.352 . . . . 0.0 112.283 179.557 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 64.6 mttt -71.32 -24.21 62.08 Favored 'General case' 0 C--N 1.355 0.829 0 C-N-CA 118.038 -1.465 . . . . 0.0 112.538 -179.73 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.47 HD22 ' HB2' ' B' ' 3' ' ' PRO . 9.2 p-10 -76.96 -16.74 59.26 Favored 'General case' 0 CA--C 1.544 0.717 0 CA-C-N 113.969 -1.469 . . . . 0.0 113.049 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -93.7 -5.61 48.12 Favored 'General case' 0 CA--C 1.554 1.111 0 C-N-CA 118.812 -1.155 . . . . 0.0 113.304 178.687 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.656 HD12 ' HB1' ' A' ' 3' ' ' ALA . 0.1 OUTLIER -130.27 162.94 37.17 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.096 0 CA-C-O 123.26 1.505 . . . . 0.0 111.311 179.185 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -110.02 117.83 34.81 Favored 'General case' 0 CA--C 1.544 0.736 0 CA-C-N 110.261 -3.154 . . . . 0.0 106.496 176.473 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 2.8 mpp? -88.44 162.04 16.71 Favored 'General case' 0 C--N 1.346 0.446 0 CA-C-O 122.201 1.001 . . . . 0.0 109.54 179.277 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 28.1 mmmt -153.7 84.72 4.15 Favored Pre-proline 0 CA--C 1.555 1.173 0 CA-C-N 112.327 -2.215 . . . . 0.0 108.278 -179.528 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 25.3 Cg_exo . . . . . 0 C--N 1.369 1.64 0 C-N-CA 121.846 1.697 . . . . 0.0 113.352 179.278 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.223 -0.31 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 7.2 p -120.28 91.51 46.32 Favored Pre-proline 0 CA--C 1.546 0.795 0 O-C-N 125.592 1.807 . . . . 0.0 107.535 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 2' ' ' PRO . . . . . 0.431 ' HB3' ' CG ' ' A' ' 7' ' ' TYR . 1.0 OUTLIER -71.02 164.56 35.32 Favored 'Trans proline' 0 CA--C 1.552 1.388 0 N-CA-C 114.885 1.071 . . . . 0.0 114.885 -178.428 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 3' ' ' PRO . . . . . 0.47 ' HB2' HD22 ' A' ' 51' ' ' ASN . 71.1 Cg_exo -42.0 155.7 0.09 OUTLIER 'Trans proline' 0 C--N 1.369 1.641 1 C-N-CA 125.325 4.017 . . . . 0.0 118.143 179.556 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -76.5 121.19 5.89 Favored 'Trans proline' 0 C--N 1.364 1.386 0 N-CA-C 105.72 -2.454 . . . . 0.0 105.72 176.062 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 5' ' ' VAL . . . . . 0.415 ' HA ' ' HD3' ' B' ' 6' ' ' PRO . 1.8 t -68.18 135.89 91.47 Favored Pre-proline 0 N--CA 1.44 -0.969 0 CA-C-N 111.267 -2.697 . . . . 0.0 110.793 -177.211 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 6' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' B' ' 5' ' ' VAL . 24.1 Cg_exo -60.85 160.65 24.46 Favored 'Trans proline' 0 C--N 1.36 1.15 0 C-N-CA 121.322 1.348 . . . . 0.0 114.751 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -83.12 110.71 1.81 Allowed 'Trans proline' 0 CA--C 1.547 1.157 0 C-N-CA 120.926 1.084 . . . . 0.0 109.847 176.616 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.33 108.18 19.21 Favored 'General case' 0 C--N 1.349 0.578 0 N-CA-C 107.05 -1.463 . . . . 0.0 107.05 178.389 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 64.3 ttt180 -153.51 72.61 0.93 Allowed 'General case' 0 N--CA 1.425 -1.72 0 CA-C-N 111.566 -2.561 . . . . 0.0 105.096 -178.704 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 9.9 tpt180 -69.43 -10.98 60.39 Favored 'General case' 0 CA--C 1.549 0.922 0 CA-C-N 111.012 -2.813 . . . . 0.0 112.09 179.386 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.334 -0.097 0 CA-C-N 114.61 -1.177 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.7 ptt? . . . . . 0 C--O 1.226 -0.161 0 CA-C-O 122.006 0.908 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -97.18 128.22 43.87 Favored 'General case' 0 C--N 1.352 0.696 0 CA-C-N 112.104 -2.316 . . . . 0.0 108.241 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.819 ' HB3' ' HB2' ' A' ' 25' ' ' LEU . . . -109.01 142.56 39.5 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 111.124 -2.762 . . . . 0.0 105.795 179.105 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 74.6 mt -140.26 122.17 15.56 Favored 'Isoleucine or valine' 0 C--N 1.35 0.619 0 CA-C-N 115.387 -0.824 . . . . 0.0 109.502 -177.637 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.401 ' HB3' ' H ' ' A' ' 22' ' ' GLY . . . -66.43 128.23 35.39 Favored 'General case' 0 CA--C 1.555 1.138 0 CA-C-O 122.481 1.134 . . . . 0.0 110.546 178.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.4 mmpt? -87.98 -32.5 18.82 Favored 'General case' 0 C--N 1.344 0.34 0 CA-C-N 112.667 -2.061 . . . . 0.0 111.06 179.749 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 -140.43 174.02 10.92 Favored 'General case' 0 C--N 1.344 0.363 0 O-C-N 126.014 2.072 . . . . 0.0 109.801 -178.767 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 57.1 t0 -87.97 135.1 33.56 Favored 'General case' 0 C--N 1.353 0.728 0 CA-C-N 112.173 -2.285 . . . . 0.0 106.452 179.133 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 28.5 t80 -140.49 149.68 42.81 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 110.883 -2.871 . . . . 0.0 111.286 -178.612 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 47.7 mmtm -133.88 123.31 24.5 Favored 'General case' 0 N--CA 1.455 -0.213 0 CA-C-N 110.75 -2.932 . . . . 0.0 108.076 177.119 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -52.14 155.66 1.86 Allowed 'General case' 0 N--CA 1.475 0.778 0 CA-C-N 112.56 -2.109 . . . . 0.0 113.515 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -120.44 2.79 10.78 Favored 'General case' 0 CA--C 1.548 0.866 0 CA-C-N 111.868 -2.424 . . . . 0.0 110.289 178.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -152.23 162.84 40.54 Favored 'General case' 0 C--N 1.35 0.611 0 CA-C-O 123.581 1.658 . . . . 0.0 110.033 -179.387 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -68.67 -23.36 64.39 Favored 'General case' 0 CA--C 1.55 0.954 0 CA-C-N 109.814 -3.357 . . . . 0.0 111.982 179.679 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -87.69 -18.73 28.88 Favored 'General case' 0 CA--C 1.545 0.783 0 CA-C-N 114.092 -1.413 . . . . 0.0 112.108 179.717 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -101.21 156.53 17.38 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 112.806 -1.997 . . . . 0.0 108.704 179.504 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . 0.345 4.3 pp -138.1 160.89 38.2 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 113.287 -1.779 . . . . 0.0 110.507 177.351 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . 0.259 47.1 m -85.43 157.4 20.49 Favored 'General case' 0 N--CA 1.445 -0.676 0 CA-C-N 109.72 -3.4 . . . . 0.0 112.128 -176.221 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 38.2 p90 -160.16 149.43 17.57 Favored 'General case' 0 C--O 1.222 -0.366 0 CA-C-N 109.705 -3.407 . . . . 0.0 106.92 177.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 14.2 mttt -106.74 143.77 34.37 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 111.706 -2.497 . . . . 0.0 106.324 -179.613 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.9 100.89 0.02 OUTLIER 'General case' 0 CA--C 1.551 1.002 0 O-C-N 125.072 1.483 . . . . 0.0 112.157 178.049 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.401 ' H ' ' HB3' ' A' ' 5' ' ' ALA . . . 119.85 3.83 11.96 Favored Glycine 0 C--N 1.352 1.451 0 CA-C-N 113.429 -1.714 . . . . 0.0 115.121 179.271 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 50.5 m-20 -74.64 151.5 39.31 Favored 'General case' 0 C--N 1.364 1.22 0 C-N-CA 116.903 -1.919 . . . . 0.0 108.623 179.387 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 4.2 pt -100.38 120.07 49.34 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.672 0 CA-C-N 112.448 -2.16 . . . . 0.0 106.959 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.819 ' HB2' ' HB3' ' A' ' 3' ' ' ALA 0.304 0.8 OUTLIER -104.45 161.43 14.1 Favored 'General case' 0 N--CA 1.446 -0.641 0 CA-C-N 111.98 -2.373 . . . . 0.0 112.386 -178.368 . . . . . . . . 4 4 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.426 ' HB3' ' HB3' ' A' ' 40' ' ' GLU . 26.7 tptp -110.9 125.66 53.89 Favored 'General case' 0 C--O 1.213 -0.84 1 CA-C-N 108.174 -4.103 . . . . 0.0 104.523 176.394 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.549 ' CG2' ' HB2' ' A' ' 3' ' ' ALA . 87.0 t -91.8 123.08 43.79 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.581 0 C-N-CA 116.296 -2.162 . . . . 0.0 106.482 -179.741 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 61.4 tp -93.52 -69.55 0.74 Allowed 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 113.341 -1.754 . . . . 0.0 111.222 -178.556 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 14.0 t30 -126.84 136.66 52.66 Favored 'General case' 0 C--N 1.354 0.772 0 CA-C-N 113.129 -1.85 . . . . 0.0 109.193 -179.327 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -144.53 57.38 1.3 Allowed 'General case' 0 CA--C 1.541 0.632 0 CA-C-N 112.879 -1.964 . . . . 0.0 109.625 -178.683 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -154.4 49.08 0.61 Allowed 'General case' 0 C--N 1.349 0.549 0 CA-C-N 113.234 -1.803 . . . . 0.0 110.702 -178.364 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 20.5 p -141.14 -50.27 0.43 Allowed 'General case' 0 C--N 1.345 0.385 0 CA-C-N 112.508 -2.133 . . . . 0.0 109.643 179.391 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 51.7 m-20 -135.91 147.33 48.09 Favored 'General case' 0 C--N 1.352 0.682 0 CA-C-O 124.35 2.024 . . . . 0.0 111.436 -179.547 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.406 ' H ' ' HG2' ' A' ' 34' ' ' GLN . 6.7 pt20 -107.31 41.56 1.47 Allowed 'General case' 0 C--N 1.347 0.477 0 CA-C-N 108.951 -3.749 . . . . 0.0 107.862 178.703 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 68.7 m-80 -158.22 -30.35 0.08 Allowed 'General case' 0 CA--C 1.546 0.823 0 CA-C-N 109.918 -3.31 . . . . 0.0 109.72 -176.803 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 77.8 m95 -136.21 145.43 45.68 Favored 'General case' 0 C--N 1.362 1.122 0 O-C-N 124.134 0.896 . . . . 0.0 110.146 -178.732 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 19.8 m-85 -129.93 147.19 51.67 Favored 'General case' 0 C--N 1.351 0.648 0 CA-C-N 112.944 -1.934 . . . . 0.0 108.239 179.027 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 82.4 tttt -101.43 120.94 41.05 Favored 'General case' 0 C--N 1.349 0.553 0 N-CA-C 106.063 -1.828 . . . . 0.0 106.063 177.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -133.83 165.85 24.03 Favored 'General case' 0 C--N 1.356 0.851 0 O-C-N 124.199 0.937 . . . . 0.0 111.155 -178.066 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.426 ' HB3' ' HB3' ' A' ' 26' ' ' LYS . 15.1 tt0 -105.32 134.74 47.93 Favored 'General case' 0 C--N 1.367 1.35 0 O-C-N 124.781 1.301 . . . . 0.0 111.174 -178.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.564 HD11 HD11 ' A' ' 25' ' ' LEU 0.312 9.5 mt -162.12 142.03 9.93 Favored 'General case' 0 C--N 1.354 0.769 0 CA-C-N 111.028 -2.805 . . . . 0.0 113.149 178.333 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 54.57 42.32 31.37 Favored 'General case' 0 C--N 1.35 0.594 0 CA-C-N 110.334 -3.121 . . . . 0.0 114.542 170.751 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 68.4 14.01 66.08 Favored Glycine 0 CA--C 1.537 1.451 0 CA-C-N 113.177 -1.829 . . . . 0.0 114.322 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 10.7 mtmp? -134.98 178.36 7.08 Favored 'General case' 0 C--N 1.354 0.783 0 CA-C-O 121.928 0.871 . . . . 0.0 108.733 -179.48 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -142.18 138.1 31.29 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-N 112.597 -2.092 . . . . 0.0 107.36 179.195 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -170.84 173.48 44.58 Favored Glycine 0 C--N 1.348 1.198 0 C-N-CA 118.123 -1.989 . . . . 0.0 111.949 -178.415 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -79.6 141.9 36.14 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 112.204 -1.998 . . . . 0.0 111.907 -178.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 40.0 pt -137.96 137.61 21.68 Favored Pre-proline 0 CA--C 1.544 0.717 0 CA-C-N 111.781 -2.463 . . . . 0.0 106.925 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 1.7 Cg_endo -67.85 137.61 42.12 Favored 'Trans proline' 0 C--N 1.366 1.459 0 C-N-CA 121.068 1.179 . . . . 0.0 111.808 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 15.6 ptpt -71.56 -18.87 62.22 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 116.214 -2.194 . . . . 0.0 113.577 -179.3 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . 0.299 0.6 OUTLIER -80.96 -12.72 59.34 Favored 'General case' 0 C--N 1.36 1.055 0 C-N-CA 118.787 -1.165 . . . . 0.0 111.573 178.424 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.532 ' CE1' HG22 ' B' ' 5' ' ' VAL . 9.5 m-85 -93.16 4.52 53.85 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 119.533 -0.867 . . . . 0.0 112.181 176.438 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.713 ' CD1' ' HB1' ' A' ' 3' ' ' ALA . 0.1 OUTLIER -135.03 165.91 29.73 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.208 0 CA-C-O 122.623 1.201 . . . . 0.0 111.422 178.385 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -123.32 108.74 13.09 Favored 'General case' 0 C--N 1.352 0.713 0 C-N-CA 128.464 2.706 . . . . 0.0 106.368 177.426 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' MET . . . . . 0.502 ' SD ' HG12 ' A' ' 53' ' ' ILE . 2.7 mpp? -91.17 169.39 10.88 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-O 122.71 1.243 . . . . 0.0 111.347 -179.302 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 33.0 mmtp -154.69 90.41 3.1 Favored Pre-proline 0 CA--C 1.548 0.901 0 CA-C-N 111.257 -2.701 . . . . 0.0 106.367 178.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_endo . . . . . 0 C--N 1.369 1.623 0 C-N-CA 121.807 1.671 . . . . 0.0 112.493 -179.165 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.224 -0.239 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 59.2 t -125.14 87.03 56.07 Favored Pre-proline 0 CA--C 1.546 0.817 0 O-C-N 125.526 1.766 . . . . 0.0 107.855 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 22.6 Cg_exo -61.1 162.86 18.25 Favored 'Trans proline' 0 CA--C 1.558 1.693 0 C-N-CA 121.344 1.362 . . . . 0.0 113.99 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -45.15 157.77 0.22 Allowed 'Trans proline' 0 C--N 1.365 1.408 0 C-N-CA 125.04 3.827 . . . . 0.0 118.119 178.783 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -78.51 120.69 4.9 Favored 'Trans proline' 0 C--N 1.366 1.465 0 N-CA-C 105.93 -2.373 . . . . 0.0 105.93 175.237 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 5' ' ' VAL . . . . . 0.532 HG22 ' CE1' ' A' ' 52' ' ' TYR . 2.3 t -65.7 139.09 96.88 Favored Pre-proline 0 CA--C 1.546 0.801 0 CA-C-N 111.683 -2.508 . . . . 0.0 110.848 -177.311 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 26.0 Cg_exo -60.99 159.93 27.76 Favored 'Trans proline' 0 C--N 1.362 1.275 0 O-C-N 123.216 1.114 . . . . 0.0 112.421 178.195 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -76.39 110.52 3.08 Favored 'Trans proline' 0 CA--C 1.542 0.891 0 N-CA-C 107.777 -1.663 . . . . 0.0 107.777 176.864 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 3.4 tmt_? -65.45 142.51 58.14 Favored 'General case' 0 C--N 1.35 0.625 0 CA-C-N 114.079 -1.419 . . . . 0.0 108.529 -179.506 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 72.81 30.53 1.74 Allowed 'General case' 0 CA--C 1.547 0.843 0 CA-C-N 113.166 -1.834 . . . . 0.0 110.424 -176.828 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 43.3 mmm-85 46.0 70.03 0.41 Allowed 'General case' 0 C--N 1.349 0.557 0 CA-C-N 112.06 -2.336 . . . . 0.0 112.135 178.502 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 -0.125 0 CA-C-N 109.995 -3.275 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.6 tpt . . . . . 0 N--CA 1.446 -0.644 0 N-CA-C 106.238 -1.764 . . . . 0.0 106.238 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -76.92 151.29 35.81 Favored 'General case' 0 C--N 1.355 0.818 0 N-CA-C 105.995 -1.854 . . . . 0.0 105.995 178.351 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.524 ' HB1' ' CD1' ' A' ' 53' ' ' ILE . . . -141.78 133.76 27.46 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-N 112.723 -2.035 . . . . 0.0 106.67 179.571 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 61.4 mt -142.07 122.8 11.72 Favored 'Isoleucine or valine' 0 C--N 1.351 0.648 0 CA-C-O 121.915 0.864 . . . . 0.0 109.987 -176.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -67.34 121.63 16.14 Favored 'General case' 0 CA--C 1.551 1.007 0 CA-C-N 112.995 -1.911 . . . . 0.0 111.591 178.817 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 35.1 mtmt -88.33 -22.28 23.93 Favored 'General case' 0 C--N 1.346 0.451 0 CA-C-N 113.404 -1.725 . . . . 0.0 110.185 178.189 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -138.61 168.91 18.76 Favored 'General case' 0 C--N 1.347 0.484 0 CA-C-N 112.807 -1.997 . . . . 0.0 109.491 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -92.81 126.75 38.04 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 111.072 -2.786 . . . . 0.0 106.333 178.751 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 35.6 t80 -140.25 154.37 46.84 Favored 'General case' 0 C--N 1.344 0.342 0 CA-C-N 112.515 -2.13 . . . . 0.0 111.13 -178.53 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 32.9 mmtp -132.91 128.69 37.1 Favored 'General case' 0 C--O 1.224 -0.265 0 CA-C-N 110.559 -3.018 . . . . 0.0 107.51 177.535 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -51.89 156.66 1.43 Allowed 'General case' 0 C--N 1.354 0.761 0 O-C-N 125.672 1.857 . . . . 0.0 113.329 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 26.9 p -109.14 -12.15 14.84 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 109.676 -3.42 . . . . 0.0 111.527 179.586 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -151.16 167.07 28.89 Favored 'General case' 0 C--N 1.349 0.582 0 CA-C-N 112.95 -1.932 . . . . 0.0 111.465 -177.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -67.83 -22.45 65.15 Favored 'General case' 0 CA--C 1.554 1.098 0 CA-C-N 109.727 -3.397 . . . . 0.0 112.832 -179.652 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -89.6 -16.58 30.25 Favored 'General case' 0 C--N 1.357 0.929 0 CA-C-N 115.113 -0.949 . . . . 0.0 111.428 179.377 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -100.57 157.41 16.68 Favored 'General case' 0 C--N 1.349 0.573 0 CA-C-N 113.074 -1.875 . . . . 0.0 108.355 179.347 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.431 HD23 ' C ' ' A' ' 45' ' ' ASP 0.278 4.1 pp -135.71 157.99 45.51 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 112.977 -1.92 . . . . 0.0 110.675 177.42 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 51.0 m -85.86 162.24 18.71 Favored 'General case' 0 N--CA 1.445 -0.689 0 CA-C-N 109.486 -3.506 . . . . 0.0 111.979 -176.742 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.431 ' HB3' ' CD1' ' A' ' 41' ' ' LEU . 29.7 p90 -160.06 153.89 22.87 Favored 'General case' 0 C--N 1.345 0.408 0 CA-C-N 110.159 -3.2 . . . . 0.0 107.986 177.552 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 32.4 mttt -107.86 139.01 43.09 Favored 'General case' 0 N--CA 1.446 -0.629 0 CA-C-N 111.462 -2.608 . . . . 0.0 105.666 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 4.6 tmt_? -46.18 101.3 0.02 OUTLIER 'General case' 0 CA--C 1.554 1.122 0 O-C-N 124.862 1.351 . . . . 0.0 111.941 177.749 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 115.7 12.72 9.23 Favored Glycine 0 C--N 1.352 1.466 0 CA-C-N 113.458 -1.701 . . . . 0.0 115.137 179.31 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 56.6 m-20 -73.02 161.09 31.09 Favored 'General case' 0 C--N 1.363 1.183 0 C-N-CA 117.742 -1.583 . . . . 0.0 109.7 179.042 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 88.8 mt -103.04 109.17 26.07 Favored 'Isoleucine or valine' 0 C--N 1.351 0.645 0 N-CA-C 104.565 -2.383 . . . . 0.0 104.565 177.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.476 ' HB2' ' HB3' ' A' ' 3' ' ' ALA . 3.9 mp -106.94 164.81 11.82 Favored 'General case' 0 C--N 1.348 0.53 0 CA-C-N 112.894 -1.957 . . . . 0.0 109.373 -177.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 28.6 mtpt -133.19 105.81 7.22 Favored 'General case' 0 C--O 1.218 -0.556 0 CA-C-N 110.8 -2.909 . . . . 0.0 110.815 178.713 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.475 HG23 ' HB2' ' A' ' 3' ' ' ALA . 14.9 t -88.46 108.79 19.15 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.628 0 N-CA-C 104.804 -2.295 . . . . 0.0 104.804 -179.083 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 67.7 tp -90.26 -33.91 15.96 Favored 'General case' 0 N--CA 1.446 -0.625 1 CA-C-N 108.055 -4.157 . . . . 0.0 109.611 -177.393 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 5.6 p30 -162.44 178.38 8.68 Favored 'General case' 0 C--N 1.348 0.526 0 CA-C-N 113.094 -1.866 . . . . 0.0 109.383 179.77 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -160.56 135.42 7.64 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 110.648 -2.978 . . . . 0.0 104.475 178.883 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . 0.286 11.4 pt-20 -102.34 -139.93 0.35 Allowed 'General case' 0 C--N 1.349 0.545 0 CA-C-O 122.584 1.183 . . . . 0.0 110.948 -178.074 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 31.4 p -59.87 -35.95 75.89 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-N 111.694 -2.503 . . . . 0.0 112.263 -179.011 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -77.23 122.4 25.01 Favored 'General case' 0 C--N 1.353 0.758 0 O-C-N 124.71 1.256 . . . . 0.0 111.758 -178.862 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 19.3 tt0 -105.94 60.61 0.66 Allowed 'General case' 0 N--CA 1.438 -1.047 0 N-CA-C 102.418 -3.179 . . . . 0.0 102.418 176.695 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 30.7 m-80 -169.2 -22.74 0.02 OUTLIER 'General case' 0 N--CA 1.444 -0.767 0 CA-C-N 110.412 -3.086 . . . . 0.0 109.862 -176.351 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 56.8 m95 -138.32 137.24 37.2 Favored 'General case' 0 C--N 1.362 1.137 0 O-C-N 123.854 0.722 . . . . 0.0 110.119 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -112.82 148.54 34.64 Favored 'General case' 0 C--N 1.349 0.554 0 CA-C-N 114.327 -1.306 . . . . 0.0 108.559 178.544 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 76.6 tttt -102.03 93.53 5.3 Favored 'General case' 0 CA--C 1.538 0.498 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 177.824 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.422 ' HB2' HG22 ' A' ' 27' ' ' VAL . . . -105.31 -174.21 2.48 Favored 'General case' 0 C--N 1.356 0.867 0 CA-C-N 112.894 -1.957 . . . . 0.0 111.915 -177.891 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 6.7 tm-20 -130.08 134.54 47.43 Favored 'General case' 0 C--N 1.36 1.046 0 CA-C-N 114.081 -1.418 . . . . 0.0 109.922 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.431 ' CD1' ' HB3' ' A' ' 19' ' ' PHE 0.301 12.4 mt -161.06 141.83 11.38 Favored 'General case' 0 CA--C 1.508 -0.64 0 CA-C-N 111.789 -2.46 . . . . 0.0 112.515 177.549 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 54.24 38.53 29.48 Favored 'General case' 0 CA--C 1.546 0.791 0 CA-C-N 109.336 -3.575 . . . . 0.0 114.618 171.102 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 72.77 19.1 79.16 Favored Glycine 0 CA--C 1.538 1.498 0 CA-C-N 113.06 -1.882 . . . . 0.0 113.816 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 65.4 mttp -134.8 171.14 14.8 Favored 'General case' 0 C--N 1.354 0.761 0 N-CA-C 107.868 -1.16 . . . . 0.0 107.868 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.431 ' C ' HD23 ' A' ' 17' ' ' LEU . 4.4 p30 -140.91 139.5 34.36 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 113.172 -1.831 . . . . 0.0 106.651 179.231 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -177.83 177.23 48.33 Favored Glycine 0 C--N 1.346 1.124 0 C-N-CA 117.007 -2.521 . . . . 0.0 111.993 -177.331 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -79.85 139.63 37.1 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 111.691 -2.254 . . . . 0.0 110.237 -179.619 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -139.66 141.03 26.68 Favored Pre-proline 0 CA--C 1.54 0.59 0 CA-C-N 112.146 -2.297 . . . . 0.0 107.165 -179.69 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 11.4 Cg_endo -71.8 133.27 21.56 Favored 'Trans proline' 0 C--N 1.363 1.29 0 C-N-CA 121.715 1.61 . . . . 0.0 112.915 -179.173 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 17.5 pttp -72.49 -15.57 61.8 Favored 'General case' 0 CA--C 1.551 1.007 0 C-N-CA 116.603 -2.039 . . . . 0.0 113.91 -179.343 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . 0.311 0.6 OUTLIER -81.57 -8.83 59.77 Favored 'General case' 0 C--N 1.363 1.156 0 C-N-CA 117.726 -1.59 . . . . 0.0 111.74 177.814 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.476 ' CE1' HG22 ' B' ' 5' ' ' VAL . 10.2 m-85 -94.82 -9.5 34.25 Favored 'General case' 0 C--N 1.353 0.753 0 C-N-CA 119.628 -0.829 . . . . 0.0 111.754 177.498 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.524 ' CD1' ' HB1' ' A' ' 3' ' ' ALA . 0.1 OUTLIER -131.45 161.21 41.57 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.218 0 CA-C-O 123.05 1.405 . . . . 0.0 112.849 -179.366 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 62.6 tt0 -106.94 132.99 52.26 Favored 'General case' 0 CA--C 1.547 0.832 0 CA-C-N 111.059 -2.792 . . . . 0.0 103.932 174.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 37.0 mtm -84.48 -79.68 0.21 Allowed 'General case' 0 C--N 1.348 0.522 0 CA-C-O 123.823 1.773 . . . . 0.0 113.571 -176.292 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 7.0 mmmm 65.81 98.19 0.04 OUTLIER Pre-proline 0 CA--C 1.555 1.163 0 CA-C-N 108.796 -3.82 . . . . 0.0 109.26 -177.615 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 34.3 Cg_exo . . . . . 0 C--N 1.366 1.452 0 C-N-CA 121.654 1.569 . . . . 0.0 113.819 178.387 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.222 -0.368 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 7.5 p -69.41 119.14 68.6 Favored Pre-proline 0 CA--C 1.551 0.993 0 O-C-N 125.179 1.55 . . . . 0.0 108.144 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 2' ' ' PRO . . . . . 0.482 ' HA ' ' HD3' ' B' ' 3' ' ' PRO 0.279 52.3 Cg_exo -48.37 129.21 18.98 Favored 'Trans proline' 0 CA--C 1.579 2.754 0 N-CA-C 115.956 1.483 . . . . 0.0 115.956 -179.043 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 3' ' ' PRO . . . . . 0.482 ' HD3' ' HA ' ' B' ' 2' ' ' PRO . 69.7 Cg_exo -43.1 162.14 0.05 OUTLIER 'Trans proline' 0 C--N 1.381 2.265 1 C-N-CA 126.708 4.939 . . . . 0.0 119.96 -177.297 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_endo -74.98 111.6 3.37 Favored 'Trans proline' 0 C--N 1.358 1.067 0 N-CA-C 106.728 -2.066 . . . . 0.0 106.728 175.424 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 5' ' ' VAL . . . . . 0.476 HG22 ' CE1' ' A' ' 52' ' ' TYR . 2.1 t -62.43 137.75 96.25 Favored Pre-proline 0 CA--C 1.552 1.048 0 CA-C-N 111.408 -2.633 . . . . 0.0 109.808 -178.365 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_exo -60.29 162.71 16.45 Favored 'Trans proline' 0 C--N 1.365 1.437 0 C-N-CA 121.109 1.206 . . . . 0.0 114.978 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_endo -83.84 111.74 1.73 Allowed 'Trans proline' 0 CA--C 1.55 1.289 0 N-CA-C 108.861 -1.246 . . . . 0.0 108.861 176.102 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -83.1 123.46 29.53 Favored 'General case' 0 C--N 1.351 0.636 0 N-CA-C 107.13 -1.433 . . . . 0.0 107.13 178.289 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 79.5 mtm180 133.78 85.32 0.0 OUTLIER 'General case' 0 C--N 1.351 0.663 0 C-N-CA 130.966 3.706 . . . . 0.0 105.562 -178.295 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 28.5 tpt85 -79.86 -3.89 49.87 Favored 'General case' 0 CA--C 1.545 0.782 0 CA-C-N 112.574 -2.103 . . . . 0.0 112.982 -178.509 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.164 0 CA-C-N 114.603 -1.18 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.6 ttt . . . . . 0 N--CA 1.445 -0.72 0 N-CA-C 104.582 -2.377 . . . . 0.0 104.582 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -70.6 111.94 6.48 Favored 'General case' 0 C--N 1.357 0.911 0 CA-C-O 123.772 1.748 . . . . 0.0 109.003 -178.801 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.697 ' HB1' HD12 ' A' ' 53' ' ' ILE . . . -100.41 141.95 32.56 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 110.29 -3.141 . . . . 0.0 106.623 -179.315 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 89.8 mt -136.93 109.77 7.83 Favored 'Isoleucine or valine' 0 C--N 1.345 0.399 0 CA-C-N 113.23 -1.804 . . . . 0.0 109.301 -176.386 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -66.82 122.21 17.19 Favored 'General case' 0 CA--C 1.542 0.661 0 CA-C-N 113.298 -1.774 . . . . 0.0 107.626 177.248 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 30.1 mtmt -87.16 -40.45 14.6 Favored 'General case' 0 C--O 1.222 -0.344 0 CA-C-N 114.547 -1.206 . . . . 0.0 110.241 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -107.48 168.05 9.51 Favored 'General case' 0 C--N 1.345 0.378 0 CA-C-N 112.486 -2.143 . . . . 0.0 109.79 -178.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 11.3 p-10 -96.19 128.26 42.94 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 110.554 -3.021 . . . . 0.0 105.392 178.564 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 21.0 t80 -138.74 150.47 46.17 Favored 'General case' 0 N--CA 1.446 -0.627 0 CA-C-N 112.926 -1.943 . . . . 0.0 109.267 -178.641 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 35.8 tptt -129.34 118.75 22.75 Favored 'General case' 0 N--CA 1.439 -0.987 0 CA-C-N 110.634 -2.985 . . . . 0.0 107.844 179.229 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -52.52 150.75 4.69 Favored 'General case' 0 C--N 1.356 0.854 0 CA-C-O 122.713 1.244 . . . . 0.0 113.439 178.714 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -119.4 7.92 11.29 Favored 'General case' 0 CA--C 1.545 0.761 0 CA-C-N 111.111 -2.768 . . . . 0.0 110.275 179.095 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -152.3 160.55 43.32 Favored 'General case' 0 C--N 1.354 0.782 0 CA-C-N 114.226 -1.352 . . . . 0.0 109.297 -179.441 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -68.94 -21.2 64.21 Favored 'General case' 0 CA--C 1.551 0.993 0 CA-C-N 112.033 -2.349 . . . . 0.0 113.649 -178.321 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -89.04 -18.37 27.46 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 113.648 -1.615 . . . . 0.0 112.345 -179.573 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -99.83 157.02 16.8 Favored 'General case' 0 CA--C 1.541 0.617 0 CA-C-N 113.208 -1.815 . . . . 0.0 109.643 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . 0.318 3.4 pp -137.19 158.08 45.24 Favored 'General case' 0 N--CA 1.475 0.778 0 CA-C-N 112.532 -2.122 . . . . 0.0 110.766 176.544 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 32.1 m -86.2 161.94 18.57 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 109.585 -3.461 . . . . 0.0 112.668 -175.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 23.9 p90 -160.85 164.08 31.59 Favored 'General case' 0 CA--C 1.543 0.692 0 CA-C-N 111.1 -2.773 . . . . 0.0 108.457 178.035 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 26.6 pttt -134.48 103.08 5.55 Favored 'General case' 0 C--N 1.353 0.734 0 CA-C-N 114.105 -1.407 . . . . 0.0 112.125 -178.218 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 3.78 54.95 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 130.575 3.55 . . . . 0.0 118.407 178.697 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 161.81 -0.31 0.06 OUTLIER Glycine 0 CA--C 1.526 0.733 0 CA-C-N 111.736 -2.483 . . . . 0.0 113.876 179.704 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 -75.38 146.01 41.17 Favored 'General case' 0 C--N 1.358 0.958 0 C-N-CA 116.445 -2.102 . . . . 0.0 108.625 179.278 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 90.1 mt -99.8 127.04 53.06 Favored 'Isoleucine or valine' 0 C--N 1.343 0.323 0 N-CA-C 105.307 -2.109 . . . . 0.0 105.307 179.086 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.653 ' HB2' ' HB3' ' A' ' 3' ' ' ALA . 0.8 OUTLIER -102.74 176.64 5.1 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 112.942 -1.935 . . . . 0.0 109.186 -178.733 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 13.0 ttpt -128.35 107.81 10.06 Favored 'General case' 0 C--O 1.218 -0.597 0 CA-C-N 109.774 -3.375 . . . . 0.0 108.562 -179.606 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.486 HG23 ' HB2' ' A' ' 3' ' ' ALA . 42.7 t -87.46 111.36 21.81 Favored 'Isoleucine or valine' 0 C--N 1.344 0.351 0 CA-C-O 123.791 1.758 . . . . 0.0 107.592 -176.71 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 55.3 tp -92.42 -40.75 10.69 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 108.969 -3.741 . . . . 0.0 111.34 -178.462 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 59.2 t30 -159.6 147.32 17.1 Favored 'General case' 0 C--N 1.358 0.949 0 C-N-CA 118.742 -1.183 . . . . 0.0 111.172 -179.013 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -147.68 105.62 3.72 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 112.556 -2.111 . . . . 0.0 107.346 178.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -172.58 34.02 0.01 OUTLIER 'General case' 0 C--N 1.35 0.616 0 CA-C-N 112.463 -2.153 . . . . 0.0 109.911 -178.762 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 96.5 m -112.34 -73.93 0.65 Allowed 'General case' 0 C--N 1.346 0.428 0 CA-C-N 112.785 -2.007 . . . . 0.0 108.934 -179.349 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 58.4 t0 -143.6 145.42 32.49 Favored 'General case' 0 C--N 1.344 0.33 0 CA-C-N 113.173 -1.831 . . . . 0.0 107.735 -179.032 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -84.96 58.97 5.32 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 112.029 -2.35 . . . . 0.0 109.126 -179.667 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 47.0 m-20 -173.57 -22.98 0.01 OUTLIER 'General case' 0 N--CA 1.444 -0.735 0 CA-C-N 110.252 -3.158 . . . . 0.0 109.643 -177.128 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 79.9 m95 -137.01 123.7 21.12 Favored 'General case' 0 C--N 1.36 1.054 0 CA-C-O 122.605 1.193 . . . . 0.0 111.376 -178.805 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 16.3 m-85 -106.08 147.82 28.49 Favored 'General case' 0 C--O 1.221 -0.413 0 CA-C-N 111.605 -2.543 . . . . 0.0 109.87 179.332 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 37.6 ttmt -102.31 102.12 12.45 Favored 'General case' 0 C--N 1.35 0.613 0 N-CA-C 106.475 -1.676 . . . . 0.0 106.475 177.752 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -116.83 -170.66 1.87 Allowed 'General case' 0 C--N 1.354 0.798 0 CA-C-N 113.658 -1.61 . . . . 0.0 110.123 -178.801 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -135.62 145.36 46.78 Favored 'General case' 0 C--N 1.357 0.912 0 CA-C-O 122.6 1.191 . . . . 0.0 113.171 -178.171 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.543 HD11 ' CD1' ' A' ' 25' ' ' LEU 0.306 8.4 mt -161.27 133.43 5.86 Favored 'General case' 0 C--N 1.349 0.581 0 CA-C-N 110.888 -2.869 . . . . 0.0 112.952 177.979 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 57.01 32.43 21.65 Favored 'General case' 0 CA--C 1.546 0.822 0 CA-C-N 112.357 -2.201 . . . . 0.0 114.768 170.851 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 73.74 18.02 79.4 Favored Glycine 0 CA--C 1.538 1.511 0 CA-C-N 113.745 -1.57 . . . . 0.0 113.732 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -134.8 128.24 32.4 Favored 'General case' 0 C--N 1.354 0.8 0 N-CA-C 107.779 -1.193 . . . . 0.0 107.779 179.587 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -99.85 147.67 25.26 Favored 'General case' 0 CA--C 1.547 0.853 0 CA-C-N 113.399 -1.728 . . . . 0.0 107.27 178.637 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -176.57 172.71 45.68 Favored Glycine 0 C--N 1.343 0.928 0 C-N-CA 118.539 -1.791 . . . . 0.0 112.968 -178.224 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 93.9 m-85 -79.91 137.18 36.83 Favored 'General case' 0 C--N 1.351 0.644 0 CA-C-N 112.132 -2.034 . . . . 0.0 110.89 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 44.6 pt -136.23 137.2 23.97 Favored Pre-proline 0 CA--C 1.544 0.714 0 CA-C-N 112.205 -2.271 . . . . 0.0 106.809 179.722 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 4.4 Cg_exo -69.2 144.89 58.58 Favored 'Trans proline' 0 C--N 1.365 1.414 0 C-N-CA 121.168 1.246 . . . . 0.0 113.179 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 44.8 mtmt -71.21 -32.12 68.44 Favored 'General case' 0 C--N 1.358 0.957 0 C-N-CA 116.6 -2.04 . . . . 0.0 112.218 179.451 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . 0.309 1.0 OUTLIER -72.32 -7.74 51.13 Favored 'General case' 0 C--N 1.358 0.963 0 C-N-CA 118.436 -1.306 . . . . 0.0 113.835 -179.606 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -94.98 -3.9 47.64 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 119.367 -0.933 . . . . 0.0 112.539 177.759 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.697 HD12 ' HB1' ' A' ' 3' ' ' ALA . 0.1 OUTLIER -128.88 168.02 22.99 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.898 0 CA-C-O 122.807 1.289 . . . . 0.0 109.919 179.656 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.411 ' N ' ' CG1' ' A' ' 53' ' ' ILE . 8.3 tp10 -127.98 119.36 25.33 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 111.061 -2.79 . . . . 0.0 104.966 176.841 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 5.2 mpp? -88.73 155.21 19.71 Favored 'General case' 0 C--N 1.349 0.559 0 CA-C-O 123.33 1.538 . . . . 0.0 112.176 -178.105 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 45.2 mtpt -155.27 98.29 2.36 Favored Pre-proline 0 CA--C 1.551 1.017 0 CA-C-N 109.888 -3.324 . . . . 0.0 108.846 179.705 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_endo . . . . . 0 CA--C 1.549 1.272 0 C-N-CA 120.405 0.736 . . . . 0.0 110.712 177.204 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.222 -0.365 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 5.6 p -58.38 115.67 12.31 Favored Pre-proline 0 CA--C 1.551 0.983 0 O-C-N 125.095 1.497 . . . . 0.0 109.24 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 2' ' ' PRO . . . . . 0.406 ' HA ' ' HD3' ' B' ' 3' ' ' PRO 0.252 51.4 Cg_exo -48.9 125.75 13.62 Favored 'Trans proline' 0 CA--C 1.573 2.45 0 N-CA-C 115.535 1.321 . . . . 0.0 115.535 -179.352 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 3' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' B' ' 2' ' ' PRO . 85.2 Cg_exo -42.76 164.14 0.04 OUTLIER 'Trans proline' 0 C--N 1.379 2.167 1 C-N-CA 126.095 4.53 . . . . 0.0 119.454 -177.216 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_endo -76.47 112.15 3.4 Favored 'Trans proline' 0 C--N 1.36 1.144 0 N-CA-C 105.743 -2.445 . . . . 0.0 105.743 174.838 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 2.0 t -65.7 139.75 97.13 Favored Pre-proline 0 CA--C 1.547 0.858 0 CA-C-N 110.914 -2.857 . . . . 0.0 109.486 -178.443 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_exo -58.95 158.98 22.9 Favored 'Trans proline' 0 C--N 1.364 1.345 0 C-N-CA 120.651 0.9 . . . . 0.0 112.528 178.573 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_endo -75.28 112.37 3.53 Favored 'Trans proline' 0 CA--C 1.542 0.901 0 N-CA-C 108.763 -1.284 . . . . 0.0 108.763 177.28 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 58.5 ttp85 -87.63 105.81 17.59 Favored 'General case' 0 C--N 1.351 0.667 0 CA-C-N 114.268 -1.333 . . . . 0.0 107.572 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 35.7 mmt180 -147.45 53.74 1.06 Allowed 'General case' 0 N--CA 1.444 -0.748 0 CA-C-N 111.997 -2.365 . . . . 0.0 108.051 -179.441 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 11.5 tpt180 -79.73 95.72 6.05 Favored 'General case' 0 C--N 1.35 0.623 0 CA-C-N 113.284 -1.78 . . . . 0.0 109.385 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.341 0.204 0 CA-C-N 113.746 -1.57 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 49.5 ttm . . . . . 0 N--CA 1.44 -0.962 0 N-CA-C 106.686 -1.598 . . . . 0.0 106.686 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -76.11 99.17 4.57 Favored 'General case' 0 C--N 1.351 0.643 0 CA-C-N 111.406 -2.634 . . . . 0.0 107.898 179.637 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.641 ' HB1' HD12 ' A' ' 53' ' ' ILE . . . -99.93 141.36 32.85 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 111.992 -2.367 . . . . 0.0 106.63 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 70.3 mt -144.89 103.27 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.349 0.585 0 O-C-N 125.31 1.631 . . . . 0.0 110.044 -176.683 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.453 ' HB1' ' CD2' ' A' ' 19' ' ' PHE . . . -67.25 125.37 25.85 Favored 'General case' 0 CA--C 1.544 0.748 0 CA-C-N 113.678 -1.601 . . . . 0.0 108.016 176.783 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.28 -36.43 16.69 Favored 'General case' 0 C--N 1.355 0.815 0 C-N-CA 117.481 -1.687 . . . . 0.0 110.415 -179.585 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 58.6 m-85 -100.55 170.58 8.28 Favored 'General case' 0 C--N 1.343 0.319 0 CA-C-N 112.538 -2.119 . . . . 0.0 109.407 -177.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -97.05 135.83 38.48 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 112.08 -2.327 . . . . 0.0 107.015 178.636 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 12.0 t80 -136.98 152.56 50.29 Favored 'General case' 0 C--N 1.352 0.715 0 CA-C-O 124.951 2.31 . . . . 0.0 112.013 -178.505 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.456 ' H ' ' HD3' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -133.64 101.51 5.14 Favored 'General case' 0 N--CA 1.442 -0.858 1 CA-C-N 108.043 -4.162 . . . . 0.0 106.556 179.352 . . . . . . . . 4 4 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -52.56 166.44 0.19 Allowed 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 112.575 -2.102 . . . . 0.0 113.032 179.338 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 45.1 p -94.26 -31.85 13.91 Favored 'General case' 0 CA--C 1.543 0.681 0 CA-C-N 108.52 -3.946 . . . . 0.0 105.475 176.557 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 59.63 88.8 0.07 Allowed 'General case' 0 C--N 1.355 0.831 0 CA-C-N 110.364 -3.107 . . . . 0.0 113.62 177.863 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -137.0 24.63 3.03 Favored 'General case' 0 N--CA 1.436 -1.17 1 CA-C-N 106.797 -4.729 . . . . 0.0 107.029 178.218 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . 0.37 3.8 p-10 117.09 19.94 0.0 OUTLIER 'General case' 0 C--N 1.364 1.214 1 C-N-CA 131.734 4.014 . . . . 0.0 113.142 -179.323 . . . . . . . . 3 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -102.52 165.5 11.06 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 111.995 -2.366 . . . . 0.0 111.044 178.362 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . 0.368 0.0 OUTLIER -137.54 159.37 42.13 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-N 111.197 -2.729 . . . . 0.0 111.103 174.655 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 23.9 m -87.45 164.31 16.25 Favored 'General case' 0 CA--C 1.542 0.652 0 CA-C-N 109.95 -3.296 . . . . 0.0 112.616 -178.02 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.453 ' CD2' ' HB1' ' A' ' 5' ' ' ALA . 18.2 p90 -161.44 161.69 30.29 Favored 'General case' 0 C--N 1.349 0.573 0 CA-C-N 110.726 -2.943 . . . . 0.0 108.177 178.621 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -135.5 108.8 7.79 Favored 'General case' 0 C--N 1.348 0.532 0 O-C-N 124.304 1.002 . . . . 0.0 109.496 179.674 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 2.2 tmt_? 3.44 95.31 0.01 OUTLIER 'General case' 0 CA--C 1.551 1.015 0 C-N-CA 127.092 2.157 . . . . 0.0 114.681 179.566 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 121.03 8.58 7.88 Favored Glycine 0 CA--C 1.535 1.339 0 CA-C-N 113.061 -1.882 . . . . 0.0 115.013 179.039 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -76.5 139.38 40.77 Favored 'General case' 0 C--N 1.357 0.928 0 C-N-CA 118.354 -1.338 . . . . 0.0 109.753 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 77.8 mt -102.61 119.67 51.3 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.471 0 CA-C-N 112.389 -2.187 . . . . 0.0 105.731 178.549 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.559 ' HB2' ' HB3' ' A' ' 3' ' ' ALA . 1.9 mp -107.15 164.3 12.28 Favored 'General case' 0 C--N 1.349 0.586 0 CA-C-O 124.056 1.884 . . . . 0.0 111.961 -177.721 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 17.5 mmmt -107.69 105.73 15.73 Favored 'General case' 0 C--O 1.214 -0.786 0 CA-C-N 108.541 -3.936 . . . . 0.0 108.216 178.838 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.492 ' CG2' ' HB2' ' A' ' 3' ' ' ALA . 9.2 t -87.12 121.99 38.49 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 C-N-CA 114.398 -2.921 . . . . 0.0 108.967 -175.795 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 35.7 tp -92.13 -51.1 5.34 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 109.534 -3.484 . . . . 0.0 111.189 -178.018 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 67.4 t30 -159.71 140.13 12.01 Favored 'General case' 0 C--N 1.359 0.995 0 C-N-CA 118.049 -1.46 . . . . 0.0 112.267 -179.44 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -160.33 106.63 1.54 Allowed 'General case' 0 C--N 1.351 0.663 0 CA-C-N 112.579 -2.101 . . . . 0.0 107.185 178.409 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 19.6 pt-20 -170.82 38.54 0.02 OUTLIER 'General case' 0 C--N 1.355 0.823 0 CA-C-N 114.779 -1.1 . . . . 0.0 111.94 -178.153 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 99.5 m -139.9 -78.72 0.31 Allowed 'General case' 0 C--N 1.344 0.329 0 CA-C-N 114.066 -1.425 . . . . 0.0 108.547 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -88.48 149.43 23.66 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 112.925 -1.943 . . . . 0.0 107.544 179.087 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 3.5 pp0? -112.98 62.85 0.63 Allowed 'General case' 0 C--O 1.222 -0.389 0 CA-C-N 112.575 -2.102 . . . . 0.0 108.934 -179.181 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 29.3 m-20 -170.45 -17.51 0.01 OUTLIER 'General case' 0 N--CA 1.447 -0.601 0 CA-C-N 110.677 -2.965 . . . . 0.0 112.026 -178.15 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 56.3 m95 -137.97 128.77 26.93 Favored 'General case' 0 CA--C 1.554 1.104 0 CA-C-O 122.959 1.362 . . . . 0.0 111.713 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 21.4 m-85 -110.7 135.56 51.11 Favored 'General case' 0 C--O 1.221 -0.411 0 CA-C-N 112.574 -2.103 . . . . 0.0 108.27 178.808 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 38.0 ttpt -100.36 110.68 22.9 Favored 'General case' 0 C--N 1.35 0.608 0 N-CA-C 106.292 -1.744 . . . . 0.0 106.292 178.376 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -132.37 163.39 28.81 Favored 'General case' 0 C--N 1.353 0.734 0 CA-C-N 114.231 -1.35 . . . . 0.0 108.281 -178.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -104.09 138.19 40.96 Favored 'General case' 0 C--N 1.352 0.688 0 O-C-N 124.885 1.366 . . . . 0.0 110.077 -176.834 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . 0.37 12.5 mt -159.3 132.83 7.25 Favored 'General case' 0 CA--C 1.496 -1.097 0 CA-C-N 110.817 -2.901 . . . . 0.0 111.998 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 56.47 32.11 20.12 Favored 'General case' 0 CA--C 1.548 0.893 0 CA-C-N 110.967 -2.833 . . . . 0.0 112.498 171.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 73.79 23.34 76.79 Favored Glycine 0 C--N 1.354 1.56 0 CA-C-N 112.439 -2.164 . . . . 0.0 113.447 -179.425 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -135.16 116.03 14.06 Favored 'General case' 0 C--N 1.355 0.811 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 -179.566 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -95.82 128.39 42.66 Favored 'General case' 0 CA--C 1.539 0.543 0 N-CA-C 103.809 -2.663 . . . . 0.0 103.809 177.821 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -174.87 172.37 45.4 Favored Glycine 0 C--N 1.341 0.806 0 CA-C-N 114.079 -1.418 . . . . 0.0 111.547 -176.244 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 76.3 m-85 -79.57 144.76 33.58 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 112.082 -2.059 . . . . 0.0 112.089 -178.631 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 6.1 pt -141.67 148.21 48.86 Favored Pre-proline 0 CA--C 1.542 0.643 0 CA-C-N 112.099 -2.319 . . . . 0.0 107.046 178.824 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 4.3 Cg_endo -68.33 142.66 55.57 Favored 'Trans proline' 0 C--N 1.357 1.012 0 C-N-CA 121.606 1.537 . . . . 0.0 114.253 -179.477 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 26.0 mtmt -71.91 -26.3 62.25 Favored 'General case' 0 C--N 1.366 1.311 0 C-N-CA 116.63 -2.028 . . . . 0.0 111.1 179.095 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -68.96 -18.81 64.13 Favored 'General case' 0 C--N 1.361 1.089 0 C-N-CA 118.478 -1.289 . . . . 0.0 111.76 -179.795 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 11.3 m-85 -91.91 -4.64 54.45 Favored 'General case' 0 CA--C 1.554 1.127 0 CA-C-N 113.819 -1.537 . . . . 0.0 113.396 -178.552 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.641 HD12 ' HB1' ' A' ' 3' ' ' ALA . 0.2 OUTLIER -131.83 153.27 38.33 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.259 0 CA-C-O 122.276 1.036 . . . . 0.0 111.533 179.052 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -112.55 121.46 44.87 Favored 'General case' 0 C--N 1.352 0.717 0 N-CA-C 104.262 -2.495 . . . . 0.0 104.262 174.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -89.1 161.03 16.74 Favored 'General case' 0 C--N 1.35 0.588 0 CA-C-O 122.302 1.049 . . . . 0.0 111.187 -179.47 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 32.0 mmtp -154.33 88.1 3.45 Favored Pre-proline 0 CA--C 1.55 0.96 0 CA-C-N 112.03 -2.35 . . . . 0.0 109.205 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_exo . . . . . 0 C--N 1.366 1.492 0 C-N-CA 122.148 1.899 . . . . 0.0 111.525 177.443 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.224 -0.256 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 60.7 t -125.34 88.28 54.39 Favored Pre-proline 0 CA--C 1.545 0.763 0 O-C-N 125.563 1.79 . . . . 0.0 108.715 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 2' ' ' PRO . . . . . 0.421 ' HA ' ' HD3' ' B' ' 3' ' ' PRO . 67.4 Cg_exo -53.92 147.13 43.51 Favored 'Trans proline' 0 CA--C 1.563 1.946 0 C-N-CA 121.831 1.687 . . . . 0.0 115.723 179.355 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 3' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' B' ' 2' ' ' PRO . 44.7 Cg_exo -58.49 161.65 14.03 Favored 'Trans proline' 0 C--N 1.367 1.512 0 C-N-CA 124.02 3.147 . . . . 0.0 116.141 179.168 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -74.61 125.35 9.47 Favored 'Trans proline' 0 C--N 1.368 1.56 0 C-N-CA 122.435 2.09 . . . . 0.0 106.694 175.836 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 5' ' ' VAL . . . . . 0.416 HG12 ' HD2' ' B' ' 6' ' ' PRO . 1.7 t -69.44 140.21 89.86 Favored Pre-proline 0 N--CA 1.45 -0.475 0 CA-C-N 111.348 -2.66 . . . . 0.0 111.98 -176.501 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 6' ' ' PRO . . . . . 0.416 ' HD2' HG12 ' B' ' 5' ' ' VAL . 19.7 Cg_exo -61.92 161.43 25.73 Favored 'Trans proline' 0 C--N 1.364 1.36 0 O-C-N 123.326 1.172 . . . . 0.0 113.942 179.497 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -88.91 109.93 0.51 Allowed 'Trans proline' 0 CA--C 1.548 1.176 0 C-N-CA 120.897 1.065 . . . . 0.0 109.819 176.17 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 3.7 ptm85 -83.43 103.92 13.17 Favored 'General case' 0 C--N 1.353 0.75 0 N-CA-C 106.769 -1.567 . . . . 0.0 106.769 178.298 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 61.1 mtp180 -139.7 -71.25 0.39 Allowed 'General case' 0 N--CA 1.449 -0.493 0 CA-C-O 124.624 2.154 . . . . 0.0 111.35 -179.082 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 4.2 mmp_? 68.05 -80.92 0.03 OUTLIER 'General case' 0 C--N 1.316 -0.848 1 CA-C-N 106.87 -4.696 . . . . 0.0 110.427 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.59 0 CA-C-N 111.135 -2.757 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.9 ttm . . . . . 0 CA--C 1.539 0.522 0 N-CA-C 108.082 -1.081 . . . . 0.0 108.082 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -88.05 121.6 30.65 Favored 'General case' 0 C--N 1.353 0.724 0 CA-C-N 112.426 -2.17 . . . . 0.0 108.451 179.061 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.67 ' HB1' HD12 ' A' ' 53' ' ' ILE . . . -111.62 147.83 34.63 Favored 'General case' 0 C--N 1.347 0.479 0 CA-C-N 112.543 -2.117 . . . . 0.0 109.347 179.282 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 61.4 mt -145.73 109.47 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.351 0.658 0 CA-C-N 113.11 -1.859 . . . . 0.0 109.579 -177.578 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -67.3 120.06 13.19 Favored 'General case' 0 CA--C 1.544 0.723 0 CA-C-N 114.13 -1.395 . . . . 0.0 109.287 177.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 19.4 mtmt -89.36 -19.84 24.73 Favored 'General case' 0 C--N 1.344 0.356 0 CA-C-N 114.436 -1.256 . . . . 0.0 112.249 179.772 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 81.2 m-85 -140.36 167.77 21.37 Favored 'General case' 0 C--N 1.346 0.43 0 CA-C-N 113.253 -1.794 . . . . 0.0 110.223 -178.658 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 11.1 p-10 -86.06 127.01 34.59 Favored 'General case' 0 C--N 1.348 0.511 0 CA-C-N 110.866 -2.879 . . . . 0.0 107.162 179.274 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 34.4 t80 -139.65 152.76 47.02 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 112.187 -2.278 . . . . 0.0 111.698 -177.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 46.0 mttp -133.94 140.62 46.89 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-N 110.829 -2.896 . . . . 0.0 108.314 175.86 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -51.21 150.83 3.1 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 112.038 -2.346 . . . . 0.0 112.724 179.638 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 5.4 p -115.55 -6.17 12.22 Favored 'General case' 0 C--N 1.349 0.561 0 CA-C-N 111.844 -2.435 . . . . 0.0 111.118 179.189 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -151.55 173.28 14.8 Favored 'General case' 0 C--N 1.349 0.579 0 CA-C-N 113.106 -1.861 . . . . 0.0 110.003 -178.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -73.91 -24.84 59.75 Favored 'General case' 0 CA--C 1.551 1.016 0 CA-C-N 111.468 -2.605 . . . . 0.0 111.712 -179.464 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -86.86 -17.11 34.13 Favored 'General case' 0 C--N 1.353 0.733 0 CA-C-N 113.501 -1.682 . . . . 0.0 111.899 179.328 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -99.12 155.22 17.57 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 113.675 -1.602 . . . . 0.0 108.917 179.753 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.47 HD23 ' C ' ' A' ' 45' ' ' ASP . 3.5 pp -132.98 159.22 40.64 Favored 'General case' 0 N--CA 1.474 0.768 0 CA-C-N 112.886 -1.961 . . . . 0.0 111.356 178.194 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 45.7 m -86.97 156.68 19.69 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 109.809 -3.359 . . . . 0.0 111.802 -177.527 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.405 ' HB3' ' CD1' ' A' ' 41' ' ' LEU . 36.3 p90 -159.5 147.57 17.43 Favored 'General case' 0 C--O 1.219 -0.533 0 CA-C-N 111.069 -2.787 . . . . 0.0 107.699 177.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 37.2 mtmt -103.81 145.17 30.49 Favored 'General case' 0 N--CA 1.446 -0.635 0 CA-C-N 112.835 -1.984 . . . . 0.0 106.854 -179.162 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 4.5 tmt_? -46.13 100.75 0.02 OUTLIER 'General case' 0 CA--C 1.55 0.949 0 O-C-N 125.518 1.761 . . . . 0.0 111.788 178.363 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 123.96 0.75 8.97 Favored Glycine 0 C--N 1.353 1.474 0 CA-C-N 113.559 -1.655 . . . . 0.0 114.697 179.661 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 51.7 m-20 -74.58 142.31 44.67 Favored 'General case' 0 C--N 1.364 1.204 0 C-N-CA 117.647 -1.621 . . . . 0.0 109.209 179.525 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 52.1 mm -101.49 120.15 50.69 Favored 'Isoleucine or valine' 0 C--N 1.343 0.316 0 N-CA-C 104.178 -2.527 . . . . 0.0 104.178 178.291 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.556 ' HB2' ' HB3' ' A' ' 3' ' ' ALA . 2.9 mp -105.46 162.27 13.61 Favored 'General case' 0 C--N 1.349 0.571 0 CA-C-N 112.904 -1.953 . . . . 0.0 111.502 -176.553 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 12.0 tmtt? -105.28 100.01 9.6 Favored 'General case' 0 C--O 1.218 -0.594 0 CA-C-N 108.721 -3.854 . . . . 0.0 108.072 178.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.495 HG23 ' HB2' ' A' ' 3' ' ' ALA . 5.4 t -87.93 113.11 24.55 Favored 'Isoleucine or valine' 0 C--N 1.344 0.364 0 N-CA-C 105.723 -1.954 . . . . 0.0 105.723 -177.888 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 50.3 tp -89.29 -50.25 6.24 Favored 'General case' 0 N--CA 1.443 -0.797 0 CA-C-N 108.701 -3.863 . . . . 0.0 108.787 -177.018 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 16.7 p-10 -162.73 -162.21 0.77 Allowed 'General case' 0 CA--C 1.542 0.667 0 O-C-N 125.295 1.622 . . . . 0.0 109.385 178.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -125.89 -120.79 0.26 Allowed 'General case' 0 CA--C 1.542 0.642 0 CA-C-N 112.43 -2.168 . . . . 0.0 105.718 179.091 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 75.73 81.21 0.1 Allowed 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 113.903 -1.499 . . . . 0.0 112.089 176.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 22.7 t 178.65 -70.83 0.01 OUTLIER 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 110.631 -2.986 . . . . 0.0 106.233 179.612 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 49.8 m-20 -162.74 -176.07 4.77 Favored 'General case' 0 C--N 1.347 0.457 0 CA-C-N 111.434 -2.621 . . . . 0.0 105.254 -179.574 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -64.97 -63.14 1.18 Allowed 'General case' 0 N--CA 1.447 -0.619 0 CA-C-N 114.149 -1.387 . . . . 0.0 108.464 177.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.49 ' O ' ' HA ' ' A' ' 49' ' ' PRO . 95.5 m-20 -40.47 -15.7 0.01 OUTLIER 'General case' 0 N--CA 1.441 -0.901 1 C-N-CA 135.05 5.34 . . . . 0.0 114.587 178.367 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 80.7 m95 -138.64 118.32 13.1 Favored 'General case' 0 C--N 1.343 0.286 0 CA-C-O 123.08 1.419 . . . . 0.0 109.878 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.431 ' O ' ' HA ' ' A' ' 47' ' ' PHE . 13.0 m-85 -101.16 170.84 7.99 Favored 'General case' 0 C--O 1.217 -0.616 0 CA-C-N 110.782 -2.917 . . . . 0.0 106.65 178.706 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 11.7 ttmm -123.78 110.06 14.44 Favored 'General case' 0 N--CA 1.446 -0.628 0 N-CA-C 104.286 -2.487 . . . . 0.0 104.286 177.503 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -134.65 174.79 10.17 Favored 'General case' 0 C--N 1.351 0.631 0 CA-C-N 114.177 -1.374 . . . . 0.0 111.056 -178.381 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 9.9 tm-20 -124.54 140.87 52.54 Favored 'General case' 0 C--N 1.355 0.816 0 CA-C-N 113.592 -1.64 . . . . 0.0 108.392 -178.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.405 ' CD1' ' HB3' ' A' ' 19' ' ' PHE 0.37 12.4 mt -159.52 145.1 15.85 Favored 'General case' 0 CA--C 1.493 -1.232 0 CA-C-N 110.967 -2.833 . . . . 0.0 112.271 -179.88 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . 0.311 1.0 OUTLIER 64.96 -73.82 0.06 Allowed 'General case' 0 N--CA 1.434 -1.258 1 CA-C-N 108.324 -4.034 . . . . 0.0 115.493 172.843 . . . . . . . . 4 3 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -164.55 20.1 0.13 Allowed Glycine 0 CA--C 1.529 0.961 0 CA-C-N 110.931 -2.85 . . . . 0.0 111.485 179.351 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -137.59 167.59 21.36 Favored 'General case' 0 C--N 1.349 0.552 0 CA-C-N 112.258 -1.971 . . . . 0.0 109.989 -179.464 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.47 ' C ' HD23 ' A' ' 17' ' ' LEU . 11.9 p-10 -141.97 131.68 24.15 Favored 'General case' 0 CA--C 1.551 1.002 0 CA-C-N 111.973 -2.376 . . . . 0.0 106.063 178.053 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -176.95 -178.77 46.95 Favored Glycine 0 C--N 1.355 1.634 0 C-N-CA 117.859 -2.115 . . . . 0.0 112.783 -176.483 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.431 ' HA ' ' O ' ' A' ' 37' ' ' TYR . 96.4 m-85 -80.16 143.5 33.81 Favored 'General case' 0 C--N 1.354 0.792 0 CA-C-N 112.678 -1.761 . . . . 0.0 111.703 -179.79 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -140.58 141.66 26.1 Favored Pre-proline 0 CA--C 1.555 1.161 0 CA-C-N 112.036 -2.347 . . . . 0.0 108.693 -179.768 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.49 ' HA ' ' O ' ' A' ' 35' ' ' ASN . 6.9 Cg_endo -71.97 144.2 42.38 Favored 'Trans proline' 0 C--N 1.371 1.732 0 C-N-CA 122.078 1.852 . . . . 0.0 115.404 -178.817 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 6.0 mtpm? -70.46 -35.58 73.39 Favored 'General case' 0 C--N 1.378 1.838 0 C-N-CA 114.596 -2.842 . . . . 0.0 113.388 179.563 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . 0.354 0.7 OUTLIER -67.95 -12.2 60.27 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 117.788 -1.565 . . . . 0.0 115.081 -178.947 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.45 ' CE1' HG22 ' B' ' 5' ' ' VAL . 9.3 m-85 -92.89 -3.63 54.26 Favored 'General case' 0 C--N 1.356 0.89 0 C-N-CA 118.531 -1.267 . . . . 0.0 112.189 177.53 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.67 HD12 ' HB1' ' A' ' 3' ' ' ALA . 0.1 OUTLIER -130.75 174.25 13.25 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.86 0 CA-C-O 122.831 1.301 . . . . 0.0 108.751 178.555 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.465 ' N ' ' CG1' ' A' ' 53' ' ' ILE . 30.0 tt0 -131.35 114.53 15.11 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-N 111.333 -2.667 . . . . 0.0 105.194 176.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 7.2 ptt? -88.47 162.92 16.19 Favored 'General case' 0 C--N 1.352 0.675 0 CA-C-N 114.225 -1.352 . . . . 0.0 110.959 -179.314 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 52.1 mtpt -153.57 77.76 5.81 Favored Pre-proline 0 CA--C 1.555 1.144 0 CA-C-N 112.725 -2.034 . . . . 0.0 110.438 -179.188 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 C--N 1.372 1.794 0 C-N-CA 122.83 2.353 . . . . 0.0 113.295 178.778 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.225 -0.233 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 71.4 t -121.71 93.19 48.75 Favored Pre-proline 0 CA--C 1.545 0.787 0 O-C-N 125.66 1.85 . . . . 0.0 107.61 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 2' ' ' PRO . . . . . 0.411 ' HA ' ' HD3' ' B' ' 3' ' ' PRO . 52.0 Cg_exo -52.21 148.49 24.7 Favored 'Trans proline' 0 CA--C 1.563 1.974 0 C-N-CA 121.613 1.542 . . . . 0.0 115.901 -179.69 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 3' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' B' ' 2' ' ' PRO . 85.8 Cg_exo -52.39 160.57 3.4 Favored 'Trans proline' 0 C--N 1.368 1.555 0 C-N-CA 125.07 3.847 . . . . 0.0 118.466 -179.688 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -81.37 118.73 3.29 Favored 'Trans proline' 0 C--N 1.362 1.251 0 N-CA-C 105.32 -2.608 . . . . 0.0 105.32 173.871 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 5' ' ' VAL . . . . . 0.45 HG22 ' CE1' ' A' ' 52' ' ' TYR . 2.3 t -58.97 139.89 87.04 Favored Pre-proline 0 CA--C 1.548 0.885 0 CA-C-N 112.033 -2.349 . . . . 0.0 110.794 -177.599 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -57.51 149.09 68.79 Favored 'Trans proline' 0 C--N 1.363 1.314 0 C-N-CA 120.938 1.092 . . . . 0.0 114.187 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -79.14 105.44 1.92 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 N-CA-C 107.776 -1.663 . . . . 0.0 107.776 177.302 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.05 127.27 33.42 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 113.053 -1.885 . . . . 0.0 108.077 -179.208 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 8.5 ttm105 95.6 77.47 0.0 OUTLIER 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 127.668 2.387 . . . . 0.0 107.368 -176.217 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 51.9 mmm-85 -32.45 -61.42 0.26 Allowed 'General case' 0 C--N 1.352 0.69 0 CA-C-N 111.114 -2.766 . . . . 0.0 113.368 -178.812 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 110.866 -2.879 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.469 ' SD ' HG11 ' A' ' 27' ' ' VAL . 17.1 ttm . . . . . 0 CA--C 1.543 0.708 0 N-CA-C 104.758 -2.312 . . . . 0.0 104.758 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -76.75 95.96 4.14 Favored 'General case' 0 C--N 1.365 1.281 0 CA-C-O 123.1 1.429 . . . . 0.0 108.063 -179.424 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.534 ' HB1' HD12 ' A' ' 53' ' ' ILE . . . -94.49 139.83 30.64 Favored 'General case' 0 N--CA 1.444 -0.726 0 CA-C-N 110.283 -3.144 . . . . 0.0 107.968 -174.925 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 84.5 mt -142.5 115.9 3.99 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.648 0 CA-C-N 111.355 -2.657 . . . . 0.0 109.481 -174.539 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -66.86 120.54 13.74 Favored 'General case' 0 CA--C 1.546 0.823 0 CA-C-N 113.329 -1.76 . . . . 0.0 108.091 177.499 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 36.4 mtmt -88.44 -18.74 27.66 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 114.74 -1.118 . . . . 0.0 112.563 -179.584 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 37.3 m-85 -139.69 168.65 19.34 Favored 'General case' 0 C--N 1.348 0.525 0 CA-C-N 113.496 -1.684 . . . . 0.0 109.754 -179.526 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -85.64 129.5 34.81 Favored 'General case' 0 C--N 1.352 0.708 0 CA-C-N 112.132 -2.304 . . . . 0.0 106.514 178.197 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 23.5 t80 -139.86 149.14 43.06 Favored 'General case' 0 C--N 1.345 0.394 0 CA-C-N 113.036 -1.893 . . . . 0.0 111.491 -179.387 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 55.3 mmtt -129.51 113.23 14.61 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 110.245 -3.161 . . . . 0.0 106.865 177.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -52.44 155.09 2.23 Favored 'General case' 0 C--N 1.348 0.508 0 CA-C-N 113.507 -1.679 . . . . 0.0 112.894 179.465 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 44.2 p -81.52 -25.51 35.89 Favored 'General case' 0 CA--C 1.549 0.926 0 CA-C-N 110.758 -2.928 . . . . 0.0 106.686 175.41 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 62.13 84.79 0.13 Allowed 'General case' 0 C--N 1.352 0.699 0 CA-C-N 110.445 -3.071 . . . . 0.0 112.128 179.27 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -133.41 17.24 4.02 Favored 'General case' 0 N--CA 1.44 -0.966 1 CA-C-N 106.67 -4.786 . . . . 0.0 107.702 178.77 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 16.8 p-10 118.56 15.45 0.0 OUTLIER 'General case' 0 C--N 1.367 1.339 0 C-N-CA 131.325 3.85 . . . . 0.0 111.238 -176.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 58.1 mt-10 -100.08 159.56 15.0 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 111.755 -2.475 . . . . 0.0 110.338 179.775 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . 0.397 0.0 OUTLIER -135.15 158.94 43.08 Favored 'General case' 0 N--CA 1.479 0.993 0 CA-C-N 112.171 -2.286 . . . . 0.0 111.518 176.394 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 37.8 m -86.17 161.29 18.92 Favored 'General case' 0 N--CA 1.445 -0.719 0 CA-C-N 109.563 -3.472 . . . . 0.0 111.798 -176.831 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 22.2 p90 -160.53 155.67 24.61 Favored 'General case' 0 C--N 1.345 0.41 0 CA-C-N 110.692 -2.958 . . . . 0.0 107.35 178.37 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 47.4 pttt -110.34 139.17 45.8 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 111.626 -2.534 . . . . 0.0 106.088 178.819 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 4.6 tmt_? -44.99 102.36 0.03 OUTLIER 'General case' 0 CA--C 1.551 0.981 0 O-C-N 125.408 1.693 . . . . 0.0 111.602 178.325 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 126.4 -1.84 7.63 Favored Glycine 0 C--N 1.35 1.361 0 CA-C-N 113.133 -1.849 . . . . 0.0 114.618 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -73.06 150.27 42.47 Favored 'General case' 0 C--N 1.364 1.202 0 C-N-CA 116.816 -1.954 . . . . 0.0 110.289 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 85.9 mt -103.43 118.57 50.67 Favored 'Isoleucine or valine' 0 C--N 1.347 0.466 0 N-CA-C 103.889 -2.634 . . . . 0.0 103.889 177.711 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.472 ' HB2' ' HB3' ' A' ' 3' ' ' ALA . 3.9 mp -112.08 174.64 5.78 Favored 'General case' 0 C--N 1.348 0.513 0 CA-C-N 113.448 -1.705 . . . . 0.0 109.233 -177.512 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 20.5 ttmt -129.95 99.59 5.15 Favored 'General case' 0 C--O 1.217 -0.651 0 CA-C-N 109.652 -3.431 . . . . 0.0 108.864 179.163 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.541 HG22 ' HB2' ' A' ' 39' ' ' ALA . 33.7 t -87.97 104.83 14.87 Favored 'Isoleucine or valine' 0 C--N 1.351 0.671 0 N-CA-C 102.693 -3.077 . . . . 0.0 102.693 -178.655 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.5 tt -90.43 -33.72 15.9 Favored 'General case' 0 N--CA 1.444 -0.726 1 CA-C-N 107.784 -4.28 . . . . 0.0 110.595 -175.862 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 59.6 m-20 -152.46 170.95 18.86 Favored 'General case' 0 C--N 1.351 0.673 0 CA-C-O 122.896 1.331 . . . . 0.0 109.152 178.686 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -156.18 148.47 23.48 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-N 111.185 -2.734 . . . . 0.0 106.115 179.29 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.44 ' CG ' ' H ' ' A' ' 32' ' ' CYS . 3.9 tt0 -94.87 -158.51 0.65 Allowed 'General case' 0 N--CA 1.429 -1.485 0 CA-C-O 122.922 1.344 . . . . 0.0 107.535 -179.718 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.44 ' H ' ' CG ' ' A' ' 31' ' ' GLU . 84.7 m -75.22 -27.72 59.66 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 111.703 -2.498 . . . . 0.0 111.024 -179.876 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -73.67 135.6 43.75 Favored 'General case' 0 C--N 1.351 0.648 0 CA-C-N 113.982 -1.463 . . . . 0.0 108.509 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 28.0 tt0 -114.32 77.67 1.08 Allowed 'General case' 0 N--CA 1.437 -1.097 0 N-CA-C 103.811 -2.663 . . . . 0.0 103.811 -179.501 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 31.4 m-20 -177.78 -23.45 0.01 OUTLIER 'General case' 0 N--CA 1.442 -0.861 0 CA-C-N 109.662 -3.426 . . . . 0.0 108.764 -177.217 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 62.7 m95 -139.74 130.03 25.33 Favored 'General case' 0 C--N 1.363 1.175 0 CA-C-O 122.877 1.323 . . . . 0.0 111.943 -179.033 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.445 ' OH ' ' SD ' ' A' ' 55' ' ' MET . 21.7 m-85 -104.9 177.97 4.69 Favored 'General case' 0 C--O 1.219 -0.518 0 CA-C-N 111.769 -2.469 . . . . 0.0 105.805 176.336 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -134.98 117.92 16.3 Favored 'General case' 0 CA--C 1.537 0.448 0 N-CA-C 105.697 -1.964 . . . . 0.0 105.697 178.323 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.541 ' HB2' HG22 ' A' ' 27' ' ' VAL . . . -136.05 173.83 11.28 Favored 'General case' 0 C--N 1.359 0.981 0 C-N-CA 118.109 -1.436 . . . . 0.0 111.198 -178.498 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -107.57 133.2 52.37 Favored 'General case' 0 C--N 1.355 0.831 0 O-C-N 125.676 1.86 . . . . 0.0 110.919 -178.824 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . 0.321 12.5 mt -161.01 133.41 6.04 Favored 'General case' 0 C--N 1.352 0.713 0 CA-C-N 112.503 -2.135 . . . . 0.0 113.494 178.008 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 55.46 33.33 20.74 Favored 'General case' 0 CA--C 1.547 0.835 0 CA-C-N 112.024 -2.353 . . . . 0.0 114.44 170.624 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 72.31 20.22 79.14 Favored Glycine 0 CA--C 1.537 1.419 0 CA-C-N 113.535 -1.666 . . . . 0.0 113.749 -179.568 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 41.9 mmtm -137.3 116.54 12.62 Favored 'General case' 0 C--N 1.356 0.86 0 N-CA-C 108.383 -0.969 . . . . 0.0 108.383 179.638 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -97.32 131.13 44.31 Favored 'General case' 0 CA--C 1.546 0.812 0 N-CA-C 104.577 -2.379 . . . . 0.0 104.577 177.87 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -174.34 177.79 46.4 Favored Glycine 0 C--N 1.343 0.926 0 CA-C-N 114.186 -1.37 . . . . 0.0 111.618 -176.104 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 63.2 m-85 -80.34 149.67 30.19 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 113.214 -1.493 . . . . 0.0 113.269 -178.682 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 26.7 pt -140.81 144.75 36.92 Favored Pre-proline 0 CA--C 1.555 1.146 0 CA-C-N 110.945 -2.843 . . . . 0.0 107.773 179.63 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 4.7 Cg_endo -75.55 155.94 40.49 Favored 'Trans proline' 0 C--N 1.366 1.449 0 C-N-CA 121.807 1.671 . . . . 0.0 114.475 179.259 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . 0.263 8.4 mmtt -68.73 -52.88 25.94 Favored 'General case' 0 C--N 1.353 0.731 0 CA-C-N 113.086 -1.87 . . . . 0.0 111.355 -179.105 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . 0.269 0.8 OUTLIER -67.23 -5.4 13.74 Favored 'General case' 0 CA--C 1.546 0.804 0 N-CA-C 115.239 1.57 . . . . 0.0 115.239 -179.078 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.487 ' CE1' HG22 ' B' ' 5' ' ' VAL . 13.5 m-85 -95.75 -12.53 25.25 Favored 'General case' 0 C--N 1.356 0.855 0 C-N-CA 117.665 -1.614 . . . . 0.0 113.76 178.415 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.534 HD12 ' HB1' ' A' ' 3' ' ' ALA . 0.1 OUTLIER -131.43 172.6 16.01 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.429 0 CA-C-O 122.582 1.182 . . . . 0.0 112.325 -178.533 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.522 ' N ' ' CG1' ' A' ' 53' ' ' ILE . 19.3 tp10 -102.84 147.54 26.75 Favored 'General case' 0 CA--C 1.559 1.326 0 CA-C-N 111.675 -2.511 . . . . 0.0 105.054 173.543 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' MET . . . . . 0.445 ' SD ' ' OH ' ' A' ' 37' ' ' TYR . 23.9 mtm -82.42 -117.24 0.02 OUTLIER 'General case' 0 C--O 1.215 -0.712 0 N-CA-C 116.787 2.144 . . . . 0.0 116.787 -171.775 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.449 ' N ' ' CD ' ' A' ' 57' ' ' PRO . 91.7 mttt -80.87 -28.18 0.48 Allowed Pre-proline 0 CA--C 1.548 0.899 0 N-CA-C 118.28 2.696 . . . . 0.0 118.28 -176.07 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.449 ' CD ' ' N ' ' A' ' 56' ' ' LYS . 51.6 Cg_exo . . . . . 0 C--N 1.38 2.213 0 C-N-CA 122.905 2.403 . . . . 0.0 118.033 -176.83 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.223 -0.298 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 66.9 t -123.93 84.89 54.39 Favored Pre-proline 0 CA--C 1.542 0.671 0 O-C-N 125.673 1.858 . . . . 0.0 107.155 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_exo -45.09 134.4 11.18 Favored 'Trans proline' 0 CA--C 1.571 2.365 0 C-N-CA 121.967 1.778 . . . . 0.0 115.421 -179.474 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 41.1 Cg_exo -39.34 161.37 0.02 OUTLIER 'Trans proline' 0 C--N 1.376 2.02 1 C-N-CA 125.858 4.372 . . . . 0.0 120.925 -177.546 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -75.22 113.57 3.81 Favored 'Trans proline' 0 C--N 1.358 1.07 0 N-CA-C 106.535 -2.141 . . . . 0.0 106.535 175.216 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 5' ' ' VAL . . . . . 0.487 HG22 ' CE1' ' A' ' 52' ' ' TYR . 2.3 t -63.31 137.13 96.99 Favored Pre-proline 0 CA--C 1.555 1.148 0 CA-C-N 111.481 -2.6 . . . . 0.0 110.058 -178.274 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 28.4 Cg_exo -61.79 160.72 27.82 Favored 'Trans proline' 0 C--N 1.363 1.296 0 N-CA-C 115.369 1.257 . . . . 0.0 115.369 -179.598 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -84.91 112.4 1.48 Allowed 'Trans proline' 0 CA--C 1.548 1.217 0 N-CA-C 108.783 -1.276 . . . . 0.0 108.783 175.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 6.7 ppt_? -73.92 170.91 14.41 Favored 'General case' 0 C--N 1.356 0.881 0 CA-C-N 114.758 -1.11 . . . . 0.0 109.964 179.66 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 31.2 ttt180 65.34 37.7 6.19 Favored 'General case' 0 C--N 1.352 0.688 0 CA-C-N 113.754 -1.566 . . . . 0.0 110.163 -177.825 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 12.5 tpt85 46.77 47.65 15.02 Favored 'General case' 0 N--CA 1.44 -0.966 0 CA-C-N 110.81 -2.905 . . . . 0.0 112.669 -179.505 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.343 0.292 0 CA-C-N 113.273 -1.785 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.695 ' SD ' HG21 ' A' ' 27' ' ' VAL . 0.0 OUTLIER . . . . . 0 CA--C 1.539 0.541 0 CA-C-O 123.092 1.425 . . . . 0.0 110.57 . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 56.3 mt-10 -76.89 115.09 16.37 Favored 'General case' 0 C--N 1.355 0.826 0 CA-C-N 110.166 -3.197 . . . . 0.0 107.579 179.012 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.614 ' HB3' ' HB2' ' A' ' 25' ' ' LEU . . . -101.72 143.2 31.95 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 111.85 -2.432 . . . . 0.0 107.822 -179.417 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 38.9 mm -136.43 112.2 11.92 Favored 'Isoleucine or valine' 0 C--N 1.352 0.681 0 CA-C-N 113.581 -1.645 . . . . 0.0 110.511 -176.045 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -67.82 122.23 17.69 Favored 'General case' 0 CA--C 1.551 0.989 0 CA-C-N 114.41 -1.268 . . . . 0.0 109.677 177.596 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 30.4 mtmt -88.59 -25.88 22.23 Favored 'General case' 0 C--N 1.344 0.348 0 CA-C-N 114.193 -1.367 . . . . 0.0 112.353 179.729 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -137.5 173.32 11.79 Favored 'General case' 0 C--N 1.345 0.384 0 CA-C-N 113.675 -1.602 . . . . 0.0 109.767 -178.659 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -92.06 137.27 32.5 Favored 'General case' 0 C--N 1.351 0.65 0 CA-C-N 111.833 -2.44 . . . . 0.0 107.999 -179.665 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -138.4 141.66 39.59 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 111.533 -2.576 . . . . 0.0 110.296 -179.44 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.6 54.72 1.93 Allowed 'General case' 0 CA--C 1.547 0.845 0 CA-C-N 110.599 -3.001 . . . . 0.0 113.001 -177.486 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 9.06 141.09 0.0 OUTLIER 'General case' 0 N--CA 1.498 1.926 0 C-N-CA 129.473 3.109 . . . . 0.0 117.939 -177.647 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -94.89 -10.06 32.37 Favored 'General case' 0 C--N 1.355 0.818 0 CA-C-N 112.377 -2.192 . . . . 0.0 112.33 179.721 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -153.24 173.08 16.02 Favored 'General case' 0 C--N 1.353 0.754 0 CA-C-O 123.041 1.4 . . . . 0.0 111.114 -179.273 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -63.11 -30.09 71.32 Favored 'General case' 0 CA--C 1.548 0.899 0 CA-C-N 110.369 -3.105 . . . . 0.0 113.305 -178.697 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 13.1 p-10 -75.16 -26.41 59.09 Favored 'General case' 0 CA--C 1.545 0.767 0 CA-C-N 114.19 -1.368 . . . . 0.0 111.59 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -99.95 157.22 16.69 Favored 'General case' 0 C--N 1.349 0.567 0 CA-C-N 113.279 -1.782 . . . . 0.0 110.453 -178.62 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . 0.282 3.4 pp -136.41 160.41 38.83 Favored 'General case' 0 C--N 1.344 0.332 0 CA-C-N 111.439 -2.618 . . . . 0.0 110.251 176.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 13.4 m -86.0 158.56 19.83 Favored 'General case' 0 N--CA 1.437 -1.113 0 CA-C-N 108.585 -3.916 . . . . 0.0 111.506 -176.389 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 23.2 p90 -159.47 144.36 15.45 Favored 'General case' 0 C--O 1.222 -0.378 0 CA-C-N 109.388 -3.551 . . . . 0.0 103.799 178.64 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 40.0 mtmt -105.06 145.41 30.52 Favored 'General case' 0 N--CA 1.444 -0.727 0 N-CA-C 105.149 -2.167 . . . . 0.0 105.149 179.687 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 60.7 ttt180 -46.05 115.51 1.01 Allowed 'General case' 0 CA--C 1.551 0.991 0 O-C-N 125.134 1.521 . . . . 0.0 112.266 178.328 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 109.58 0.58 30.81 Favored Glycine 0 CA--C 1.532 1.103 0 CA-C-N 111.151 -2.75 . . . . 0.0 113.863 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 55.0 m-20 -78.7 145.8 34.32 Favored 'General case' 0 C--N 1.368 1.375 0 C-N-CA 116.476 -2.09 . . . . 0.0 108.865 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 71.0 mt -101.35 127.69 54.41 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.467 0 CA-C-N 113.15 -1.841 . . . . 0.0 106.929 -179.755 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.614 ' HB2' ' HB3' ' A' ' 3' ' ' ALA . 0.4 OUTLIER -104.98 179.79 4.17 Favored 'General case' 0 C--N 1.353 0.741 0 CA-C-N 113.627 -1.624 . . . . 0.0 110.468 -178.953 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.2 tmmm? -134.12 110.56 9.68 Favored 'General case' 0 C--O 1.215 -0.74 0 CA-C-N 109.761 -3.381 . . . . 0.0 108.808 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.695 HG21 ' SD ' ' A' ' 1' ' ' MET . 20.2 m -87.42 117.85 32.21 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.07 0 C-N-CA 115.772 -2.371 . . . . 0.0 110.911 -176.565 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 45.2 tp -90.91 -56.74 3.06 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 110.483 -3.053 . . . . 0.0 110.515 -177.393 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 77.1 m-20 -126.17 137.42 53.56 Favored 'General case' 0 C--N 1.351 0.649 0 O-C-N 125.435 1.709 . . . . 0.0 109.783 -179.655 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -144.95 75.29 1.44 Allowed 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 111.692 -2.504 . . . . 0.0 105.681 179.104 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -163.92 35.04 0.08 Allowed 'General case' 0 C--N 1.351 0.66 0 CA-C-N 111.862 -2.427 . . . . 0.0 110.886 -176.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 87.7 m -116.03 -71.81 0.72 Allowed 'General case' 0 C--N 1.348 0.522 0 CA-C-N 112.742 -2.026 . . . . 0.0 108.368 179.749 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 80.8 m-20 -133.95 154.53 51.03 Favored 'General case' 0 C--N 1.351 0.657 0 CA-C-N 113.352 -1.749 . . . . 0.0 109.56 -179.15 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -99.92 65.87 1.33 Allowed 'General case' 0 C--N 1.348 0.507 0 CA-C-N 112.308 -2.224 . . . . 0.0 107.057 178.558 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 29.5 m-20 178.67 -20.75 0.0 OUTLIER 'General case' 0 CA--C 1.545 0.756 0 CA-C-N 111.101 -2.772 . . . . 0.0 109.494 -177.726 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 75.5 m95 -137.01 126.55 25.17 Favored 'General case' 0 C--N 1.362 1.116 0 CA-C-O 122.958 1.361 . . . . 0.0 110.968 -178.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 15.5 m-85 -105.3 144.3 32.27 Favored 'General case' 0 C--O 1.219 -0.531 0 CA-C-N 111.077 -2.783 . . . . 0.0 108.957 179.234 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 81.8 tttt -103.86 109.71 21.55 Favored 'General case' 0 CA--C 1.538 0.491 0 N-CA-C 105.057 -2.201 . . . . 0.0 105.057 177.47 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -133.31 169.08 17.43 Favored 'General case' 0 C--N 1.357 0.895 0 O-C-N 124.529 1.143 . . . . 0.0 111.601 -176.444 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -105.13 147.55 27.82 Favored 'General case' 0 C--N 1.363 1.194 0 O-C-N 124.928 1.393 . . . . 0.0 111.675 -177.077 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.603 HD11 ' CD1' ' A' ' 25' ' ' LEU . 5.7 mt -161.22 119.0 2.34 Favored 'General case' 0 C--N 1.349 0.578 0 CA-C-N 109.709 -3.405 . . . . 0.0 113.344 178.108 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . 0.325 0.0 OUTLIER 60.07 31.24 20.52 Favored 'General case' 0 C--N 1.359 1.017 0 C-N-CA 114.109 -3.036 . . . . 0.0 117.631 172.572 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 62.75 23.38 65.29 Favored Glycine 0 CA--C 1.537 1.444 0 CA-C-N 114.197 -1.365 . . . . 0.0 112.215 -179.218 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -133.26 107.85 8.39 Favored 'General case' 0 N--CA 1.438 -1.055 0 N-CA-C 105.413 -2.069 . . . . 0.0 105.413 -179.631 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -99.52 136.09 39.96 Favored 'General case' 0 CA--C 1.558 1.26 0 CA-C-N 112.591 -2.095 . . . . 0.0 107.75 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -169.18 175.97 43.38 Favored Glycine 0 C--N 1.348 1.212 0 C-N-CA 120.125 -1.036 . . . . 0.0 112.698 -177.431 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -80.13 140.21 36.49 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 112.402 -1.899 . . . . 0.0 111.417 -179.639 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 35.3 pt -139.53 140.97 26.9 Favored Pre-proline 0 CA--C 1.544 0.737 0 CA-C-N 111.9 -2.409 . . . . 0.0 106.597 179.787 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 6.9 Cg_endo -72.28 146.61 45.9 Favored 'Trans proline' 0 C--N 1.361 1.212 0 C-N-CA 121.54 1.493 . . . . 0.0 113.263 -179.725 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 46.1 mtmt -71.36 -33.0 69.17 Favored 'General case' 0 C--N 1.361 1.105 0 C-N-CA 116.213 -2.195 . . . . 0.0 111.717 179.519 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . 0.309 1.6 p-10 -70.78 -10.36 59.35 Favored 'General case' 0 C--N 1.355 0.841 0 C-N-CA 118.298 -1.361 . . . . 0.0 114.12 -179.707 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -93.36 -4.55 51.32 Favored 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 118.469 -1.293 . . . . 0.0 111.505 177.112 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.611 HD12 ' HB1' ' A' ' 3' ' ' ALA . 0.1 OUTLIER -130.17 172.52 15.74 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.178 0 CA-C-O 122.45 1.119 . . . . 0.0 110.701 179.07 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.455 ' N ' ' CG1' ' A' ' 53' ' ' ILE . 37.8 tt0 -132.22 126.02 32.52 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 128.589 2.755 . . . . 0.0 106.344 176.826 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 38.4 mtm -87.85 158.1 18.82 Favored 'General case' 0 C--N 1.351 0.662 0 CA-C-N 115.256 -0.884 . . . . 0.0 109.841 -179.606 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 92.1 mttt -154.4 78.97 5.05 Favored Pre-proline 0 CA--C 1.553 1.071 0 CA-C-N 113.878 -1.51 . . . . 0.0 109.772 -179.535 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 68.3 Cg_endo . . . . . 0 C--N 1.365 1.442 0 C-N-CA 121.806 1.671 . . . . 0.0 111.132 179.408 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 0' ' ' ACE . . . . . 0.45 ' H1 ' ' C ' ' B' ' 1' ' ' VAL . . . . . . . . 0 C--O 1.223 -0.313 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 1' ' ' VAL . . . . . 0.45 ' C ' ' H1 ' ' B' ' 0' ' ' ACE . 8.1 p 8.11 78.37 0.05 OUTLIER Pre-proline 0 CA--C 1.552 1.03 1 C-N-CA 132.457 4.303 . . . . 0.0 114.368 . . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 2' ' ' PRO . . . . . 0.423 ' HA ' ' HD3' ' B' ' 3' ' ' PRO . 50.6 Cg_exo -49.75 149.18 11.04 Favored 'Trans proline' 0 CA--C 1.56 1.805 0 C-N-CA 121.871 1.714 . . . . 0.0 115.811 -179.19 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 3' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' B' ' 2' ' ' PRO . 61.1 Cg_exo -52.6 159.67 4.51 Favored 'Trans proline' 0 C--N 1.367 1.526 0 C-N-CA 124.168 3.245 . . . . 0.0 116.502 179.471 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -75.25 123.24 7.6 Favored 'Trans proline' 0 C--N 1.365 1.423 0 N-CA-C 106.687 -2.082 . . . . 0.0 106.687 175.834 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 5' ' ' VAL . . . . . 0.406 ' HA ' ' HD3' ' B' ' 6' ' ' PRO . 1.7 t -68.01 137.84 92.29 Favored Pre-proline 0 CA--C 1.543 0.68 0 CA-C-N 111.491 -2.595 . . . . 0.0 112.15 -176.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 6' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' B' ' 5' ' ' VAL . 21.7 Cg_exo -59.29 161.69 16.13 Favored 'Trans proline' 0 C--N 1.363 1.301 0 C-N-CA 121.462 1.441 . . . . 0.0 114.345 179.139 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -82.36 113.28 2.32 Favored 'Trans proline' 0 CA--C 1.547 1.132 0 C-N-CA 121.005 1.137 . . . . 0.0 109.887 176.87 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 1.6 ppt_? -88.09 76.89 8.46 Favored 'General case' 0 C--N 1.351 0.668 0 CA-C-O 123.989 1.852 . . . . 0.0 108.791 178.233 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 44.4 ttp180 178.79 85.61 0.01 OUTLIER 'General case' 0 N--CA 1.423 -1.815 0 CA-C-N 109.654 -3.43 . . . . 0.0 103.035 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 13.3 tpt180 -57.28 84.71 0.01 OUTLIER 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 110.389 -3.096 . . . . 0.0 110.46 -179.345 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.336 -0.007 0 CA-C-N 112.377 -2.192 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.7 ttm . . . . . 0 N--CA 1.436 -1.173 0 N-CA-C 106.269 -1.752 . . . . 0.0 106.269 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.599 ' O ' ' SD ' ' A' ' 55' ' ' MET . 56.9 mt-10 -98.87 97.14 8.37 Favored 'General case' 0 C--O 1.215 -0.74 0 N-CA-C 103.49 -2.782 . . . . 0.0 103.49 178.637 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.788 ' HA ' ' SD ' ' A' ' 55' ' ' MET 0.288 . . -91.85 154.69 18.72 Favored 'General case' 0 C--N 1.354 0.78 0 C-N-CA 128.624 2.769 . . . . 0.0 115.219 -172.021 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.435 HG12 ' SD ' ' A' ' 55' ' ' MET . 29.8 mm -136.51 118.03 19.23 Favored 'Isoleucine or valine' 0 C--N 1.359 1.019 0 CA-C-N 110.195 -3.184 . . . . 0.0 108.338 -177.544 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -66.58 131.48 46.09 Favored 'General case' 0 CA--C 1.539 0.554 0 N-CA-C 106.114 -1.81 . . . . 0.0 106.114 177.075 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 18.1 tttt -86.4 -37.22 18.6 Favored 'General case' 0 CA--C 1.512 -0.484 0 CA-C-N 111.652 -2.522 . . . . 0.0 112.465 -176.411 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.413 ' CG ' ' HB3' ' B' ' 2' ' ' PRO . 78.9 m-85 -138.61 172.35 13.01 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-N 110.809 -2.905 . . . . 0.0 108.382 -179.459 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -83.27 130.41 35.07 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 110.139 -3.209 . . . . 0.0 107.152 179.117 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 19.2 t80 -137.27 146.86 45.22 Favored 'General case' 0 C--N 1.349 0.567 0 CA-C-O 124.551 2.119 . . . . 0.0 111.959 -178.178 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 33.7 tptt -128.27 117.04 20.78 Favored 'General case' 0 N--CA 1.441 -0.925 0 CA-C-N 109.467 -3.515 . . . . 0.0 106.137 178.615 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -52.46 154.79 2.37 Favored 'General case' 0 C--N 1.359 1.01 0 CA-C-O 123.398 1.57 . . . . 0.0 112.947 179.247 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 40.2 p -104.04 -16.07 15.4 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-N 110.246 -3.161 . . . . 0.0 111.863 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -151.48 173.88 14.05 Favored 'General case' 0 C--N 1.351 0.658 0 CA-C-N 113.413 -1.721 . . . . 0.0 110.946 -178.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -69.39 -26.88 64.86 Favored 'General case' 0 CA--C 1.546 0.827 0 CA-C-N 111.39 -2.641 . . . . 0.0 113.712 -177.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 10.1 p-10 -77.77 -21.89 51.04 Favored 'General case' 0 CA--C 1.547 0.857 0 CA-C-N 114.59 -1.186 . . . . 0.0 111.454 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -99.75 158.71 15.59 Favored 'General case' 0 C--N 1.351 0.635 0 CA-C-N 113.324 -1.762 . . . . 0.0 109.748 -179.608 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . 0.263 4.2 pp -135.81 159.2 42.38 Favored 'General case' 0 C--N 1.348 0.527 0 CA-C-N 111.935 -2.393 . . . . 0.0 110.64 176.882 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 32.0 m -86.91 159.71 18.95 Favored 'General case' 0 N--CA 1.442 -0.865 0 CA-C-N 109.27 -3.604 . . . . 0.0 112.092 -177.465 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.506 ' HB3' ' CD1' ' A' ' 41' ' ' LEU . 27.0 p90 -160.32 161.18 33.2 Favored 'General case' 0 C--O 1.219 -0.518 0 CA-C-N 109.284 -3.598 . . . . 0.0 107.497 177.566 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.84 143.15 48.05 Favored 'General case' 0 N--CA 1.447 -0.618 0 CA-C-N 112.422 -2.172 . . . . 0.0 105.728 179.478 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 30.5 ttt180 -44.69 109.75 0.18 Allowed 'General case' 0 CA--C 1.551 0.986 0 O-C-N 124.694 1.247 . . . . 0.0 112.397 178.161 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 113.4 5.73 22.54 Favored Glycine 0 CA--C 1.537 1.45 0 CA-C-N 111.063 -2.79 . . . . 0.0 114.372 179.717 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 32.1 m-20 -70.47 153.82 42.54 Favored 'General case' 0 C--N 1.367 1.331 0 C-N-CA 116.964 -1.895 . . . . 0.0 110.09 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 25.3 mm -102.44 111.96 34.05 Favored 'Isoleucine or valine' 0 C--N 1.348 0.513 0 CA-C-N 112.835 -1.984 . . . . 0.0 106.355 179.715 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.556 ' HB2' ' HB3' ' A' ' 3' ' ' ALA . 1.8 mp -104.54 168.39 9.11 Favored 'General case' 0 C--N 1.355 0.847 0 CA-C-O 123.361 1.553 . . . . 0.0 111.919 -178.018 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 30.2 tttt -134.63 105.02 6.3 Favored 'General case' 0 C--O 1.217 -0.655 0 CA-C-N 110.012 -3.267 . . . . 0.0 110.076 179.343 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 15.3 t -88.07 111.97 23.0 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.526 0 CA-C-N 113.77 -1.559 . . . . 0.0 107.058 -175.591 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.4 tt -90.88 -40.23 11.86 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-N 111.098 -2.774 . . . . 0.0 111.281 -176.869 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 -131.93 118.46 19.81 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-N 114.725 -1.125 . . . . 0.0 109.558 179.604 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -142.94 123.12 13.71 Favored 'General case' 0 C--N 1.348 0.534 0 CA-C-N 112.66 -2.064 . . . . 0.0 107.73 178.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . 0.259 7.1 pt-20 127.5 108.93 0.0 OUTLIER 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 129.747 3.219 . . . . 0.0 107.785 -179.438 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 4.5 p 171.21 -55.3 0.01 OUTLIER 'General case' 0 C--N 1.347 0.474 0 CA-C-N 112.026 -2.352 . . . . 0.0 107.96 -179.165 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -127.06 126.07 42.43 Favored 'General case' 0 C--N 1.351 0.654 0 CA-C-N 111.891 -2.413 . . . . 0.0 107.897 179.723 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 84.4 mt-30 -93.19 85.06 4.93 Favored 'General case' 0 C--N 1.348 0.528 0 N-CA-C 106.386 -1.709 . . . . 0.0 106.386 178.492 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 29.6 m-20 158.31 -14.75 0.0 OUTLIER 'General case' 0 C--N 1.35 0.59 0 C-N-CA 127.668 2.387 . . . . 0.0 110.494 -178.874 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 80.3 m95 -137.77 128.17 26.38 Favored 'General case' 0 C--N 1.358 0.947 0 CA-C-O 122.237 1.018 . . . . 0.0 111.317 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 10.5 m-85 -109.57 149.53 29.52 Favored 'General case' 0 C--O 1.222 -0.359 0 CA-C-N 112.142 -2.299 . . . . 0.0 107.11 178.364 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 85.1 tttt -107.12 117.05 33.05 Favored 'General case' 0 C--N 1.349 0.576 0 N-CA-C 105.728 -1.953 . . . . 0.0 105.728 176.281 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -135.89 172.82 12.46 Favored 'General case' 0 C--N 1.356 0.851 0 O-C-N 124.32 1.013 . . . . 0.0 112.338 -178.267 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -109.57 130.4 55.51 Favored 'General case' 0 C--N 1.353 0.733 0 O-C-N 125.632 1.833 . . . . 0.0 110.312 -177.581 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.506 ' CD1' ' HB3' ' A' ' 19' ' ' PHE 0.305 10.9 mt -162.76 148.34 12.2 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-N 111.737 -2.483 . . . . 0.0 112.92 177.851 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 53.74 34.64 19.44 Favored 'General case' 0 CA--C 1.548 0.897 0 CA-C-N 109.753 -3.385 . . . . 0.0 115.534 170.489 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 79.4 8.68 87.6 Favored Glycine 0 CA--C 1.538 1.528 0 CA-C-N 114.41 -1.268 . . . . 0.0 114.703 179.58 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 68.9 mmtt -135.38 174.59 10.44 Favored 'General case' 0 C--N 1.351 0.666 0 N-CA-C 107.886 -1.153 . . . . 0.0 107.886 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -144.89 125.22 13.83 Favored 'General case' 0 CA--C 1.546 0.814 0 CA-C-N 113.1 -1.864 . . . . 0.0 107.135 176.881 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -159.11 -177.1 31.89 Favored Glycine 0 C--N 1.351 1.397 0 CA-C-N 114.601 -1.181 . . . . 0.0 111.989 -177.247 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -79.79 146.84 32.08 Favored 'General case' 0 C--N 1.346 0.431 0 CA-C-O 123.004 1.383 . . . . 0.0 110.936 -179.71 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 34.6 pt -140.36 143.4 33.08 Favored Pre-proline 0 CA--C 1.542 0.648 0 CA-C-N 111.039 -2.8 . . . . 0.0 106.686 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 2.3 Cg_endo -71.23 145.2 48.23 Favored 'Trans proline' 0 C--N 1.362 1.242 0 C-N-CA 121.084 1.189 . . . . 0.0 111.002 177.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 6.6 mtpm? -71.45 -33.39 69.31 Favored 'General case' 0 C--N 1.354 0.795 0 C-N-CA 119.201 -0.999 . . . . 0.0 109.849 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.497 HD22 ' HB2' ' B' ' 3' ' ' PRO . 10.1 p-10 -66.4 -20.13 65.98 Favored 'General case' 0 CA--C 1.55 0.962 0 CA-C-N 112.573 -2.103 . . . . 0.0 113.045 179.525 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.452 ' CE1' HG22 ' B' ' 5' ' ' VAL . 8.4 m-85 -94.03 4.81 53.37 Favored 'General case' 0 CA--C 1.557 1.216 0 CA-C-O 117.669 -1.158 . . . . 0.0 113.542 177.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.711 HD12 ' HB1' ' A' ' 3' ' ' ALA . 0.1 OUTLIER -135.1 166.15 28.99 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.889 0 CA-C-O 122.968 1.366 . . . . 0.0 110.401 176.345 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.57 ' O ' ' SD ' ' A' ' 55' ' ' MET . 2.4 tm-20 -135.41 130.46 34.88 Favored 'General case' 0 C--N 1.351 0.66 0 CA-C-N 110.624 -2.989 . . . . 0.0 106.734 177.844 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' MET . . . . . 0.788 ' SD ' ' HA ' ' A' ' 3' ' ' ALA . 0.9 OUTLIER -153.66 -165.43 2.13 Favored 'General case' 0 N--CA 1.427 -1.605 0 N-CA-C 115.812 1.782 . . . . 0.0 115.812 176.499 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.704 ' H ' ' HG3' ' A' ' 55' ' ' MET . 32.4 mtmm -156.22 99.21 2.14 Favored Pre-proline 0 CA--C 1.577 2.009 2 C-N-CA 135.687 5.595 . . . . 0.0 106.146 -177.888 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo . . . . . 0 C--N 1.372 1.808 0 C-N-CA 123.122 2.548 . . . . 0.0 113.514 178.147 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.223 -0.337 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 7.6 p -74.5 119.86 78.63 Favored Pre-proline 0 CA--C 1.547 0.845 0 O-C-N 125.055 1.472 . . . . 0.0 107.929 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 2' ' ' PRO . . . . . 0.413 ' HB3' ' CG ' ' A' ' 7' ' ' TYR . 1.8 Cg_endo -69.33 161.96 43.76 Favored 'Trans proline' 0 C--N 1.365 1.439 0 N-CA-C 114.416 0.891 . . . . 0.0 114.416 -179.525 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 3' ' ' PRO . . . . . 0.497 ' HB2' HD22 ' A' ' 51' ' ' ASN . 57.4 Cg_exo -50.93 162.09 1.2 Allowed 'Trans proline' 0 C--N 1.365 1.398 0 C-N-CA 124.819 3.68 . . . . 0.0 116.286 177.043 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -79.98 125.68 6.08 Favored 'Trans proline' 0 C--N 1.362 1.285 0 N-CA-C 105.321 -2.607 . . . . 0.0 105.321 175.008 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 5' ' ' VAL . . . . . 0.452 HG22 ' CE1' ' A' ' 52' ' ' TYR . 1.8 t -69.92 134.36 87.83 Favored Pre-proline 0 N--CA 1.439 -1.0 0 CA-C-N 111.466 -2.606 . . . . 0.0 110.57 -177.328 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 6' ' ' PRO . . . . . 0.431 ' HD3' ' HA ' ' B' ' 5' ' ' VAL . 16.8 Cg_exo -62.09 165.22 15.06 Favored 'Trans proline' 0 C--N 1.361 1.219 0 C-N-CA 121.917 1.745 . . . . 0.0 114.655 -179.565 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 70.2 Cg_endo -87.57 111.83 0.81 Allowed 'Trans proline' 0 CA--C 1.548 1.185 0 C-N-CA 121.178 1.252 . . . . 0.0 109.77 176.187 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 8' ' ' ARG . . . . . 0.436 ' HG2' HH11 ' B' ' 8' ' ' ARG . 0.1 OUTLIER -88.0 135.68 33.31 Favored 'General case' 0 C--N 1.353 0.751 0 N-CA-C 107.789 -1.189 . . . . 0.0 107.789 178.504 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 4.1 mmp_? 128.75 71.64 0.0 OUTLIER 'General case' 0 C--N 1.357 0.896 0 C-N-CA 129.001 2.92 . . . . 0.0 108.869 179.514 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.22 44.86 2.56 Favored 'General case' 0 CA--C 1.546 0.798 0 CA-C-N 112.955 -1.929 . . . . 0.0 108.829 179.199 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.341 0.204 0 CA-C-N 113.499 -1.682 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.41 ' HB3' HG23 ' A' ' 27' ' ' VAL . 31.4 ttm . . . . . 0 CA--C 1.536 0.429 0 N-CA-C 106.028 -1.842 . . . . 0.0 106.028 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -92.85 125.73 37.59 Favored 'General case' 0 C--N 1.351 0.631 0 CA-C-N 114.094 -1.412 . . . . 0.0 107.659 178.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.728 ' HB1' HD12 ' A' ' 53' ' ' ILE . . . -104.03 140.26 38.0 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 111.136 -2.756 . . . . 0.0 107.304 -179.028 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 31.2 mm -137.58 116.68 14.79 Favored 'Isoleucine or valine' 0 C--N 1.348 0.525 0 CA-C-N 113.755 -1.566 . . . . 0.0 109.54 -177.153 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -66.58 119.72 12.2 Favored 'General case' 0 CA--C 1.545 0.776 0 CA-C-N 112.547 -2.115 . . . . 0.0 110.348 179.202 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.8 mtmp? -88.24 -14.46 38.41 Favored 'General case' 0 C--N 1.343 0.318 0 CA-C-N 113.712 -1.585 . . . . 0.0 111.901 179.278 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 70.9 m-85 -142.72 172.24 12.96 Favored 'General case' 0 CA--C 1.538 0.511 0 O-C-N 125.54 1.775 . . . . 0.0 110.258 179.341 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -91.87 128.09 37.58 Favored 'General case' 0 CA--C 1.544 0.737 0 CA-C-N 111.55 -2.568 . . . . 0.0 108.096 178.835 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 14.6 t80 -137.95 151.43 47.95 Favored 'General case' 0 C--N 1.351 0.668 0 CA-C-O 124.743 2.211 . . . . 0.0 113.542 -177.765 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.48 ' H ' ' HD2' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -135.38 106.84 6.85 Favored 'General case' 0 CA--C 1.55 0.947 0 CA-C-N 108.825 -3.807 . . . . 0.0 107.405 178.431 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -50.95 158.03 0.75 Allowed 'General case' 0 N--CA 1.47 0.539 0 CA-C-O 123.888 1.804 . . . . 0.0 113.566 -179.749 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 48.6 p -87.42 -25.91 23.54 Favored 'General case' 0 CA--C 1.549 0.932 0 CA-C-N 109.369 -3.559 . . . . 0.0 106.472 175.665 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 59.98 77.39 0.32 Allowed 'General case' 0 C--N 1.356 0.865 0 C-N-CA 128.774 2.83 . . . . 0.0 112.674 178.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . 0.255 11.5 t70 -125.37 17.75 8.26 Favored 'General case' 0 N--CA 1.438 -1.064 1 CA-C-N 106.341 -4.936 . . . . 0.0 107.679 179.628 . . . . . . . . 3 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 45.4 p30 121.79 11.14 0.0 OUTLIER 'General case' 0 C--N 1.37 1.493 0 C-N-CA 130.743 3.617 . . . . 0.0 110.83 -176.513 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 76.7 mt-10 -98.21 165.5 11.85 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 112.261 -2.245 . . . . 0.0 112.817 -177.527 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.1 pp -139.05 159.63 41.69 Favored 'General case' 0 C--N 1.354 0.764 0 CA-C-N 110.546 -3.025 . . . . 0.0 111.28 177.533 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 40.7 m -87.15 157.79 19.29 Favored 'General case' 0 N--CA 1.445 -0.721 0 CA-C-N 109.345 -3.571 . . . . 0.0 111.613 -178.055 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.436 ' HB3' ' CD1' ' A' ' 41' ' ' LEU . 29.1 p90 -160.34 150.44 18.11 Favored 'General case' 0 C--O 1.219 -0.516 0 CA-C-N 110.785 -2.916 . . . . 0.0 106.13 178.296 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 21.0 pttp -109.05 151.0 26.97 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 112.985 -1.916 . . . . 0.0 106.844 178.798 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 45.1 tpt85 -45.34 109.36 0.17 Allowed 'General case' 0 CA--C 1.554 1.122 0 CA-C-N 113.032 -1.895 . . . . 0.0 111.817 177.487 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 104.26 15.65 20.86 Favored Glycine 0 C--N 1.347 1.183 0 CA-C-N 111.907 -2.406 . . . . 0.0 115.21 178.271 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.667 ' HB3' HD21 ' A' ' 41' ' ' LEU . 60.1 m-20 -71.31 158.37 36.47 Favored 'General case' 0 C--N 1.367 1.365 0 C-N-CA 116.054 -2.258 . . . . 0.0 111.28 179.63 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 74.3 mt -102.51 105.31 17.89 Favored 'Isoleucine or valine' 0 C--N 1.351 0.636 0 CA-C-N 110.878 -2.874 . . . . 0.0 105.016 178.636 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.865 HD11 HD11 ' A' ' 41' ' ' LEU 0.262 3.0 mp -107.06 161.36 14.81 Favored 'General case' 0 N--CA 1.444 -0.75 0 CA-C-N 112.076 -2.329 . . . . 0.0 108.816 -177.995 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 35.3 mtpt -133.73 108.21 8.38 Favored 'General case' 0 C--O 1.22 -0.485 0 CA-C-N 112.065 -2.334 . . . . 0.0 107.585 176.524 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.426 HG22 ' HB2' ' A' ' 3' ' ' ALA . 0.0 OUTLIER -88.52 102.97 13.34 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.606 0 CA-C-O 124.668 2.175 . . . . 0.0 105.27 -177.507 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 28.7 tp -92.88 -48.72 6.4 Favored 'General case' 0 N--CA 1.443 -0.786 1 CA-C-N 107.41 -4.45 . . . . 0.0 112.759 -176.666 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 -137.6 147.78 45.32 Favored 'General case' 0 C--N 1.357 0.897 0 O-C-N 124.777 1.298 . . . . 0.0 112.278 -177.86 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 15.7 mp0 -132.55 90.05 2.73 Favored 'General case' 0 CA--C 1.544 0.737 0 N-CA-C 103.466 -2.791 . . . . 0.0 103.466 178.122 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -96.29 97.2 9.31 Favored 'General case' 0 N--CA 1.434 -1.258 0 CA-C-N 112.655 -2.066 . . . . 0.0 113.658 -175.14 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 13.9 t 68.6 -9.22 0.56 Allowed 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 109.537 -3.483 . . . . 0.0 116.382 175.373 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -126.14 158.43 35.54 Favored 'General case' 0 C--N 1.35 0.601 0 CA-C-O 122.999 1.38 . . . . 0.0 109.873 -179.123 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 25.0 tt0 -84.28 -76.16 0.31 Allowed 'General case' 0 N--CA 1.436 -1.164 0 CA-C-N 111.206 -2.724 . . . . 0.0 107.173 179.039 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.485 ' O ' ' HA ' ' A' ' 49' ' ' PRO . 87.9 m-20 -40.81 -20.51 0.01 OUTLIER 'General case' 0 N--CA 1.44 -0.941 1 C-N-CA 134.751 5.22 . . . . 0.0 114.425 179.05 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 78.0 m95 -135.86 118.23 15.71 Favored 'General case' 0 C--N 1.346 0.421 0 CA-C-O 123.509 1.623 . . . . 0.0 109.859 -179.511 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.452 ' O ' ' HA ' ' A' ' 47' ' ' PHE 0.273 13.4 m-30 -104.7 140.09 38.56 Favored 'General case' 0 C--O 1.217 -0.644 0 CA-C-N 109.569 -3.469 . . . . 0.0 110.087 179.395 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 61.7 tttm -99.79 90.02 4.3 Favored 'General case' 0 CA--C 1.535 0.383 0 N-CA-C 104.811 -2.292 . . . . 0.0 104.811 177.723 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -102.19 -173.1 2.26 Favored 'General case' 0 C--N 1.352 0.683 0 CA-C-N 112.185 -2.28 . . . . 0.0 109.805 -177.801 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -129.87 131.83 46.22 Favored 'General case' 0 C--N 1.354 0.763 0 O-C-N 125.256 1.598 . . . . 0.0 111.191 -178.117 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.865 HD11 HD11 ' A' ' 25' ' ' LEU 0.25 8.3 mt -160.29 141.98 12.6 Favored 'General case' 0 CA--C 1.496 -1.122 0 CA-C-N 111.851 -2.431 . . . . 0.0 114.111 178.442 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 57.79 29.42 17.42 Favored 'General case' 0 CA--C 1.545 0.761 0 CA-C-N 109.035 -3.712 . . . . 0.0 112.88 173.389 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 72.58 17.92 78.24 Favored Glycine 0 CA--C 1.539 1.531 0 CA-C-N 112.93 -1.941 . . . . 0.0 113.569 -179.463 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -136.5 135.24 38.39 Favored 'General case' 0 C--N 1.353 0.719 0 N-CA-C 108.091 -1.078 . . . . 0.0 108.091 -179.484 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -98.93 148.42 23.98 Favored 'General case' 0 CA--C 1.544 0.719 0 N-CA-C 106.453 -1.684 . . . . 0.0 106.453 177.144 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -176.23 167.0 38.41 Favored Glycine 0 C--N 1.339 0.705 0 C-N-CA 119.137 -1.506 . . . . 0.0 111.119 -178.085 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.452 ' HA ' ' O ' ' A' ' 37' ' ' TYR . 75.4 m-85 -79.45 140.48 37.33 Favored 'General case' 0 CA--C 1.54 0.592 0 CA-C-N 112.789 -1.706 . . . . 0.0 110.417 -179.445 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.491 ' CD1' HD23 ' A' ' 25' ' ' LEU . 45.3 pt -139.36 144.63 40.85 Favored Pre-proline 0 CA--C 1.545 0.762 0 CA-C-N 112.847 -1.979 . . . . 0.0 108.347 -179.092 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.485 ' HA ' ' O ' ' A' ' 35' ' ' ASN . 1.9 Cg_endo -66.72 140.57 56.6 Favored 'Trans proline' 0 C--N 1.364 1.357 0 C-N-CA 121.908 1.739 . . . . 0.0 114.811 -179.457 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 20.7 mtpt -70.65 -35.4 72.86 Favored 'General case' 0 C--N 1.376 1.751 0 C-N-CA 114.714 -2.794 . . . . 0.0 112.364 179.074 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 19.0 p-10 -59.1 -20.72 56.03 Favored 'General case' 0 CA--C 1.554 1.102 0 CA-C-N 114.44 -1.254 . . . . 0.0 113.851 179.523 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -92.77 -0.43 57.27 Favored 'General case' 0 CA--C 1.553 1.07 0 N-CA-C 113.824 1.046 . . . . 0.0 113.824 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.728 HD12 ' HB1' ' A' ' 3' ' ' ALA . 0.1 OUTLIER -132.34 172.97 15.49 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.128 0 CA-C-O 122.772 1.272 . . . . 0.0 111.414 -179.907 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.475 ' N ' ' CG1' ' A' ' 53' ' ' ILE . 37.2 tt0 -129.6 127.15 40.06 Favored 'General case' 0 C--N 1.354 0.784 0 C-N-CA 128.811 2.845 . . . . 0.0 107.133 177.234 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 56.9 mtm -87.68 165.76 15.16 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-N 114.2 -1.364 . . . . 0.0 109.865 179.291 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 28.4 mmmt -153.97 88.58 3.51 Favored Pre-proline 0 CA--C 1.55 0.962 0 CA-C-N 112.421 -2.172 . . . . 0.0 108.624 -179.115 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_endo . . . . . 0 C--N 1.367 1.522 0 C-N-CA 121.352 1.368 . . . . 0.0 112.89 -179.644 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.226 -0.184 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 51.0 t -124.89 86.94 55.78 Favored Pre-proline 0 CA--C 1.546 0.823 0 O-C-N 125.638 1.836 . . . . 0.0 107.373 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -54.87 152.38 29.17 Favored 'Trans proline' 0 CA--C 1.562 1.875 0 C-N-CA 121.984 1.789 . . . . 0.0 115.936 -179.386 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_exo -48.39 158.78 0.92 Allowed 'Trans proline' 0 C--N 1.368 1.601 0 C-N-CA 125.085 3.857 . . . . 0.0 118.783 179.359 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -78.9 123.39 5.73 Favored 'Trans proline' 0 C--N 1.367 1.512 0 N-CA-C 105.666 -2.475 . . . . 0.0 105.666 175.278 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 5' ' ' VAL . . . . . 0.415 ' HA ' ' HD3' ' B' ' 6' ' ' PRO . 1.5 t -69.01 137.66 89.76 Favored Pre-proline 0 CA--C 1.547 0.833 0 CA-C-N 111.465 -2.607 . . . . 0.0 112.668 -176.244 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 6' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' B' ' 5' ' ' VAL . 26.6 Cg_exo -64.1 162.45 29.52 Favored 'Trans proline' 0 C--N 1.366 1.456 0 C-N-CA 121.786 1.657 . . . . 0.0 113.023 179.01 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_endo -80.77 115.97 3.13 Favored 'Trans proline' 0 CA--C 1.547 1.15 0 N-CA-C 107.755 -1.671 . . . . 0.0 107.755 175.286 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 2.3 ppt_? -69.14 156.65 38.33 Favored 'General case' 0 C--N 1.356 0.866 0 C-N-CA 119.313 -0.955 . . . . 0.0 108.973 178.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 91.4 mtt180 66.41 42.43 2.95 Favored 'General case' 0 CA--C 1.551 1.012 0 CA-C-N 113.135 -1.848 . . . . 0.0 108.526 -177.7 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 18.3 mmt180 74.79 142.19 0.07 Allowed 'General case' 0 C--N 1.357 0.909 0 C-N-CA 129.291 3.036 . . . . 0.0 111.64 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.345 0.373 0 CA-C-N 111.841 -2.436 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.47 ' SD ' ' HA ' ' A' ' 56' ' ' LYS . 55.0 tpp . . . . . 0 N--CA 1.441 -0.914 0 N-CA-C 103.782 -2.673 . . . . 0.0 103.782 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -78.51 143.17 36.83 Favored 'General case' 0 C--N 1.351 0.644 0 CA-C-N 113.415 -1.72 . . . . 0.0 108.931 -178.291 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.637 ' HB1' ' CD1' ' A' ' 53' ' ' ILE . . . -134.87 135.85 41.97 Favored 'General case' 0 N--CA 1.444 -0.769 0 CA-C-N 110.186 -3.188 . . . . 0.0 103.634 -179.136 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 4.0 mp -138.94 129.02 32.17 Favored 'Isoleucine or valine' 0 C--N 1.346 0.448 0 O-C-N 124.177 0.923 . . . . 0.0 110.861 -175.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -67.09 121.45 15.62 Favored 'General case' 0 CA--C 1.549 0.916 0 CA-C-N 113.893 -1.503 . . . . 0.0 110.117 178.58 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 28.0 mtpp -88.67 -25.46 22.37 Favored 'General case' 0 C--N 1.346 0.413 0 CA-C-N 114.181 -1.372 . . . . 0.0 113.276 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -139.83 173.65 11.32 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 112.028 -2.351 . . . . 0.0 109.879 -178.5 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 -82.96 128.08 34.13 Favored 'General case' 0 C--N 1.347 0.458 0 CA-C-N 110.597 -3.001 . . . . 0.0 107.182 179.653 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 19.8 t80 -138.66 155.71 48.05 Favored 'General case' 0 C--N 1.35 0.624 0 CA-C-O 124.39 2.043 . . . . 0.0 112.121 -178.728 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.45 ' H ' ' HD3' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -133.51 125.03 28.05 Favored 'General case' 0 CA--C 1.543 0.689 0 CA-C-N 109.36 -3.563 . . . . 0.0 108.243 178.568 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -51.28 161.58 0.42 Allowed 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 113.236 -1.802 . . . . 0.0 113.406 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -108.83 46.86 0.94 Allowed 'General case' 0 CA--C 1.544 0.733 0 CA-C-N 111.811 -2.449 . . . . 0.0 107.672 177.219 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 77.14 159.88 0.21 Allowed 'General case' 0 C--O 1.212 -0.911 0 CA-C-N 109.318 -3.583 . . . . 0.0 108.36 -178.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -6.91 -41.89 0.0 OUTLIER 'General case' 0 CA--C 1.551 1.0 1 C-N-CA 132.891 4.476 . . . . 0.0 118.037 -178.465 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 24.8 p-10 -63.05 -33.26 75.05 Favored 'General case' 0 CA--C 1.554 1.116 0 CA-C-O 123.511 1.624 . . . . 0.0 111.145 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -102.73 156.19 17.8 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-N 110.947 -2.842 . . . . 0.0 108.256 177.307 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . 0.267 3.9 pp -134.45 152.28 51.69 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 112.215 -2.266 . . . . 0.0 107.943 176.827 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 42.2 m -85.78 160.85 19.38 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 111.117 -2.765 . . . . 0.0 112.386 -175.528 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 33.7 p90 -160.18 148.35 16.77 Favored 'General case' 0 C--N 1.346 0.441 0 CA-C-N 111.202 -2.726 . . . . 0.0 106.463 177.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.34 146.08 32.03 Favored 'General case' 0 N--CA 1.447 -0.58 0 N-CA-C 104.847 -2.279 . . . . 0.0 104.847 178.5 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 19.6 ttm180 -46.94 115.44 1.07 Allowed 'General case' 0 CA--C 1.55 0.946 0 CA-C-N 114.208 -1.36 . . . . 0.0 111.37 177.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 112.23 -3.59 26.8 Favored Glycine 0 CA--C 1.528 0.871 0 CA-C-N 112.46 -2.155 . . . . 0.0 113.292 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 32.3 m-20 -72.85 150.37 42.74 Favored 'General case' 0 C--N 1.369 1.438 0 C-N-CA 115.785 -2.366 . . . . 0.0 109.05 179.775 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 46.7 mm -101.46 123.87 54.84 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.382 0 CA-C-N 112.64 -2.073 . . . . 0.0 106.708 179.675 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.619 ' HB2' ' HB3' ' A' ' 3' ' ' ALA 0.27 1.5 mm? -105.97 166.1 10.73 Favored 'General case' 0 N--CA 1.443 -0.823 0 CA-C-N 112.053 -2.34 . . . . 0.0 110.238 -178.952 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 12.5 ttpt -136.25 112.82 10.05 Favored 'General case' 0 C--O 1.217 -0.619 0 CA-C-N 108.847 -3.797 . . . . 0.0 109.167 178.394 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.459 HG22 ' O ' ' A' ' 1' ' ' MET . 2.8 m -88.33 125.98 41.65 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.222 0 CA-C-O 123.885 1.802 . . . . 0.0 110.697 -175.356 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 49.0 tp -91.7 -59.22 2.18 Favored 'General case' 0 C--N 1.349 0.567 0 CA-C-N 109.657 -3.429 . . . . 0.0 111.272 -177.255 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 83.6 m-20 -131.49 128.42 39.34 Favored 'General case' 0 C--N 1.352 0.716 0 O-C-N 125.302 1.626 . . . . 0.0 109.652 -179.211 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -139.76 65.82 1.42 Allowed 'General case' 0 C--N 1.35 0.629 0 CA-C-N 113.476 -1.693 . . . . 0.0 109.097 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -155.82 35.43 0.35 Allowed 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 112.033 -2.349 . . . . 0.0 110.783 -179.313 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 48.3 t -122.38 -59.77 1.61 Allowed 'General case' 0 C--N 1.349 0.548 0 CA-C-N 113.021 -1.9 . . . . 0.0 108.652 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 56.4 m-20 -121.84 152.23 39.78 Favored 'General case' 0 C--N 1.353 0.729 0 CA-C-N 113.655 -1.612 . . . . 0.0 108.97 179.256 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -115.27 48.81 1.13 Allowed 'General case' 0 C--N 1.346 0.436 0 CA-C-N 112.436 -2.165 . . . . 0.0 107.097 179.309 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 45.0 m-80 -163.45 -25.88 0.04 OUTLIER 'General case' 0 N--CA 1.445 -0.71 0 CA-C-N 111.091 -2.777 . . . . 0.0 109.422 -176.621 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 57.8 m95 -137.99 137.79 38.24 Favored 'General case' 0 C--N 1.359 1.011 0 O-C-N 123.992 0.808 . . . . 0.0 109.284 179.571 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 32.8 m-85 -106.98 143.39 35.15 Favored 'General case' 0 C--N 1.347 0.499 0 CA-C-N 113.412 -1.722 . . . . 0.0 107.888 178.694 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.4 ttmp? -101.42 92.58 4.99 Favored 'General case' 0 C--N 1.35 0.59 0 N-CA-C 105.895 -1.891 . . . . 0.0 105.895 177.611 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -103.7 -174.17 2.48 Favored 'General case' 0 C--N 1.355 0.843 0 CA-C-N 113.616 -1.629 . . . . 0.0 111.359 -177.652 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -125.82 134.51 51.65 Favored 'General case' 0 C--N 1.358 0.975 0 O-C-N 125.528 1.768 . . . . 0.0 110.795 -178.209 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.564 HD11 HD11 ' A' ' 25' ' ' LEU 0.303 10.4 mt -162.51 144.72 10.81 Favored 'General case' 0 C--N 1.352 0.703 0 CA-C-N 110.136 -3.211 . . . . 0.0 113.551 178.253 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 54.72 37.89 29.1 Favored 'General case' 0 CA--C 1.543 0.683 0 CA-C-N 110.199 -3.182 . . . . 0.0 114.748 170.811 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 72.52 13.88 77.58 Favored Glycine 0 CA--C 1.54 1.629 0 CA-C-N 113.764 -1.562 . . . . 0.0 114.127 -179.774 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 55.3 mtmt -134.09 178.42 6.98 Favored 'General case' 0 C--N 1.354 0.788 0 CA-C-O 122.141 0.972 . . . . 0.0 108.769 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 12.8 p-10 -142.52 135.95 28.84 Favored 'General case' 0 CA--C 1.543 0.686 0 CA-C-N 112.251 -2.25 . . . . 0.0 106.588 178.746 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -167.77 175.69 42.61 Favored Glycine 0 C--N 1.346 1.129 0 C-N-CA 118.821 -1.657 . . . . 0.0 111.547 -176.663 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 80.3 m-85 -79.84 138.86 37.31 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 111.803 -2.198 . . . . 0.0 111.996 -179.169 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 31.6 pt -136.42 135.17 20.38 Favored Pre-proline 0 CA--C 1.544 0.716 0 CA-C-N 111.693 -2.503 . . . . 0.0 105.813 179.372 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.43 ' HB3' ' HD2' ' B' ' 6' ' ' PRO . 4.4 Cg_endo -68.4 137.27 39.26 Favored 'Trans proline' 0 C--N 1.363 1.328 0 C-N-CA 121.295 1.33 . . . . 0.0 112.884 -178.415 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.43 -16.25 62.38 Favored 'General case' 0 C--N 1.356 0.876 0 C-N-CA 116.127 -2.229 . . . . 0.0 114.331 -179.042 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . 0.257 0.8 OUTLIER -82.17 -13.78 56.63 Favored 'General case' 0 C--N 1.359 1.01 0 C-N-CA 118.081 -1.447 . . . . 0.0 111.221 177.985 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.478 ' CE1' HG22 ' B' ' 5' ' ' VAL . 8.7 m-85 -93.42 -2.12 54.97 Favored 'General case' 0 C--N 1.356 0.851 0 C-N-CA 118.985 -1.086 . . . . 0.0 112.218 177.714 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.637 ' CD1' ' HB1' ' A' ' 3' ' ' ALA . 0.0 OUTLIER -134.33 159.09 42.19 Favored 'Isoleucine or valine' 0 C--N 1.36 1.062 0 CA-C-O 122.46 1.124 . . . . 0.0 112.828 179.868 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.431 ' N ' HG13 ' A' ' 53' ' ' ILE . 39.9 tt0 -106.27 119.46 39.29 Favored 'General case' 0 C--N 1.357 0.931 0 CA-C-N 111.437 -2.619 . . . . 0.0 105.389 175.204 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' MET . . . . . 0.446 ' O ' ' HD2' ' A' ' 57' ' ' PRO 0.266 3.3 mpp? -88.07 -169.5 2.6 Favored 'General case' 0 C--N 1.344 0.346 0 CA-C-O 122.1 0.952 . . . . 0.0 111.139 -178.569 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.52 ' HB2' ' CD ' ' A' ' 57' ' ' PRO 0.496 75.2 mttt 40.53 -83.17 0.0 OUTLIER Pre-proline 0 C--N 1.359 1.021 1 C-N-CA 132.411 4.284 . . . . 0.0 115.239 172.189 . . . . . . . . 4 3 . 1 . 013 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.52 ' CD ' ' HB2' ' A' ' 56' ' ' LYS . 90.6 Cg_exo . . . . . 0 C--N 1.38 2.195 0 C-N-CA 124.893 3.729 . . . . 0.0 118.908 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.223 -0.333 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 96.4 t 18.28 83.04 0.09 OUTLIER Pre-proline 0 CA--C 1.551 1.001 0 C-N-CA 127.904 2.482 . . . . 0.0 112.62 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -50.37 150.85 10.6 Favored 'Trans proline' 0 CA--C 1.559 1.752 0 C-N-CA 122.247 1.964 . . . . 0.0 115.745 -179.194 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_exo -52.73 161.23 3.21 Favored 'Trans proline' 0 C--N 1.367 1.53 0 C-N-CA 124.297 3.331 . . . . 0.0 117.202 179.356 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -79.13 122.51 5.28 Favored 'Trans proline' 0 C--N 1.365 1.433 0 N-CA-C 106.254 -2.249 . . . . 0.0 106.254 175.092 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 5' ' ' VAL . . . . . 0.478 HG22 ' CE1' ' A' ' 52' ' ' TYR . 2.1 t -68.21 139.41 92.46 Favored Pre-proline 0 CA--C 1.546 0.826 0 CA-C-N 111.651 -2.522 . . . . 0.0 111.83 -176.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 6' ' ' PRO . . . . . 0.43 ' HD2' ' HB3' ' A' ' 49' ' ' PRO . 27.4 Cg_exo -61.42 158.56 35.44 Favored 'Trans proline' 0 C--N 1.363 1.314 0 C-N-CA 121.515 1.477 . . . . 0.0 114.116 178.672 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -82.39 112.48 2.21 Favored 'Trans proline' 0 CA--C 1.544 1.023 0 N-CA-C 108.946 -1.213 . . . . 0.0 108.946 176.56 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 4.9 ppt_? -84.78 162.47 19.58 Favored 'General case' 0 C--N 1.351 0.645 0 CA-C-N 115.097 -0.956 . . . . 0.0 109.074 179.438 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 25.3 ttt-85 79.42 74.44 0.04 OUTLIER 'General case' 0 N--CA 1.446 -0.65 0 CA-C-N 113.272 -1.785 . . . . 0.0 109.229 -178.283 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 52.4 mmm-85 -33.73 -55.05 0.46 Allowed 'General case' 0 C--N 1.355 0.836 0 CA-C-N 110.785 -2.916 . . . . 0.0 113.21 -179.314 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.448 0 CA-C-N 110.747 -2.933 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.502 ' SD ' ' SD ' ' A' ' 55' ' ' MET . 2.7 ptt? . . . . . 0 CA--C 1.53 0.192 0 CA-C-O 121.27 0.557 . . . . 0.0 109.529 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 20.5 tp10 -76.42 158.0 31.76 Favored 'General case' 0 C--N 1.354 0.771 0 N-CA-C 106.432 -1.692 . . . . 0.0 106.432 179.019 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.564 ' HB1' ' CD1' ' A' ' 53' ' ' ILE . . . -140.55 133.95 29.87 Favored 'General case' 0 N--CA 1.451 -0.394 0 N-CA-C 105.431 -2.063 . . . . 0.0 105.431 178.428 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 19.4 mt -144.26 127.46 11.95 Favored 'Isoleucine or valine' 0 C--N 1.345 0.384 0 CA-C-N 114.737 -1.12 . . . . 0.0 109.967 -176.029 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.406 ' HB3' ' H ' ' A' ' 22' ' ' GLY . . . -67.12 120.05 13.07 Favored 'General case' 0 CA--C 1.543 0.683 0 CA-C-N 112.0 -2.364 . . . . 0.0 109.795 178.163 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 30.7 mtmt -86.9 -22.93 25.39 Favored 'General case' 0 C--N 1.342 0.263 0 CA-C-N 113.626 -1.624 . . . . 0.0 109.616 178.535 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 89.0 m-85 -141.31 173.28 11.64 Favored 'General case' 0 C--N 1.348 0.505 0 O-C-N 126.173 2.171 . . . . 0.0 111.356 -179.458 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 -81.82 126.9 32.41 Favored 'General case' 0 C--N 1.347 0.478 0 CA-C-N 109.551 -3.477 . . . . 0.0 107.692 179.466 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 17.3 t80 -139.02 142.56 38.26 Favored 'General case' 0 C--N 1.348 0.517 0 CA-C-O 123.92 1.819 . . . . 0.0 111.376 -179.413 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 16.0 tptp -130.21 101.61 5.86 Favored 'General case' 0 N--CA 1.443 -0.778 0 CA-C-N 110.158 -3.201 . . . . 0.0 106.647 178.816 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -53.48 157.71 2.01 Favored 'General case' 0 C--N 1.358 0.969 0 CA-C-O 123.6 1.667 . . . . 0.0 112.777 179.229 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -86.23 -25.53 25.54 Favored 'General case' 0 CA--C 1.547 0.865 0 CA-C-N 109.903 -3.317 . . . . 0.0 105.852 175.114 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 63.48 78.75 0.28 Allowed 'General case' 0 C--N 1.355 0.81 0 CA-C-N 111.145 -2.752 . . . . 0.0 111.361 -179.608 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.55 ' HB3' HH21 ' B' ' 8' ' ' ARG . 1.0 OUTLIER -123.42 11.96 9.35 Favored 'General case' 0 N--CA 1.44 -0.971 1 CA-C-N 105.664 -5.243 . . . . 0.0 108.344 178.844 . . . . . . . . 4 4 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 57.1 p30 127.99 -0.22 0.0 OUTLIER 'General case' 0 C--N 1.362 1.138 0 C-N-CA 130.082 3.353 . . . . 0.0 109.238 -175.88 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -96.97 155.2 16.88 Favored 'General case' 0 C--N 1.349 0.556 0 CA-C-N 112.383 -2.189 . . . . 0.0 110.945 -177.803 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.0 pp -131.94 157.31 44.37 Favored 'General case' 0 N--CA 1.476 0.836 0 CA-C-N 110.884 -2.871 . . . . 0.0 110.96 178.243 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 39.7 m -86.17 155.12 20.88 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-N 109.379 -3.555 . . . . 0.0 112.157 -176.254 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 29.8 p90 -160.49 146.94 15.42 Favored 'General case' 0 C--N 1.345 0.405 0 CA-C-N 110.236 -3.165 . . . . 0.0 106.587 178.793 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 24.7 mtmt -105.67 148.29 27.55 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-N 112.512 -2.131 . . . . 0.0 106.031 179.272 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 18.2 ttp180 -46.75 110.41 0.28 Allowed 'General case' 0 CA--C 1.549 0.922 0 CA-C-N 113.591 -1.641 . . . . 0.0 112.5 178.408 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.406 ' H ' ' HB3' ' A' ' 5' ' ' ALA . . . 108.18 9.99 26.74 Favored Glycine 0 CA--C 1.532 1.145 0 CA-C-N 111.919 -2.4 . . . . 0.0 114.547 179.34 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 34.8 m-20 -70.54 156.54 39.28 Favored 'General case' 0 C--N 1.367 1.347 0 C-N-CA 116.49 -2.084 . . . . 0.0 109.398 179.706 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 37.5 mm -103.5 110.71 30.73 Favored 'Isoleucine or valine' 0 C--N 1.348 0.53 0 CA-C-N 112.709 -2.041 . . . . 0.0 106.203 179.012 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.561 ' HB2' ' HB3' ' A' ' 3' ' ' ALA . 4.1 mp -110.0 168.88 9.1 Favored 'General case' 0 C--N 1.349 0.544 0 CA-C-N 112.196 -2.275 . . . . 0.0 110.318 -177.67 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 13.4 tmtt? -136.59 109.24 7.48 Favored 'General case' 0 C--O 1.217 -0.64 0 CA-C-N 110.442 -3.072 . . . . 0.0 109.675 178.571 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.45 HG22 ' HB2' ' A' ' 3' ' ' ALA . 0.1 OUTLIER -89.66 114.83 28.19 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.46 0 CA-C-O 123.578 1.656 . . . . 0.0 109.642 -175.269 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.6 tt -90.74 -38.35 13.09 Favored 'General case' 0 CA--C 1.549 0.919 0 CA-C-N 109.407 -3.542 . . . . 0.0 112.01 -176.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 5.7 p-10 -165.17 165.04 20.08 Favored 'General case' 0 C--N 1.36 1.04 0 CA-C-O 122.755 1.264 . . . . 0.0 112.778 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -150.45 80.65 1.35 Allowed 'General case' 0 CA--C 1.546 0.79 0 CA-C-N 111.674 -2.512 . . . . 0.0 105.515 178.773 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -80.71 89.59 5.77 Favored 'General case' 0 N--CA 1.437 -1.094 0 CA-C-O 123.547 1.642 . . . . 0.0 111.494 -177.251 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 2.1 p 68.07 -23.29 0.13 Allowed 'General case' 0 CA--C 1.544 0.73 0 CA-C-N 109.636 -3.438 . . . . 0.0 115.282 177.399 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.8 p30 -68.57 121.74 17.03 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-O 122.638 1.208 . . . . 0.0 111.395 -179.64 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -112.67 54.53 0.71 Allowed 'General case' 0 C--N 1.35 0.604 0 CA-C-N 112.076 -2.329 . . . . 0.0 108.265 179.73 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 31.0 m-20 -169.93 -24.03 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 111.376 -2.647 . . . . 0.0 110.65 -178.763 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 86.0 m95 -137.21 140.73 41.92 Favored 'General case' 0 C--N 1.36 1.053 0 CA-C-O 122.336 1.065 . . . . 0.0 111.276 -179.155 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.401 ' O ' ' HA ' ' A' ' 47' ' ' PHE 0.255 18.4 m-85 -105.47 175.07 5.62 Favored 'General case' 0 C--O 1.218 -0.558 0 N-CA-C 104.977 -2.231 . . . . 0.0 104.977 176.77 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 83.2 tttt -135.87 89.57 2.5 Favored 'General case' 0 CA--C 1.538 0.488 0 N-CA-C 104.11 -2.552 . . . . 0.0 104.11 175.346 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -105.32 -172.0 2.02 Favored 'General case' 0 C--N 1.356 0.888 0 CA-C-N 114.42 -1.264 . . . . 0.0 112.369 -177.12 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 51.6 tt0 -130.76 135.0 47.36 Favored 'General case' 0 C--N 1.355 0.838 0 CA-C-N 113.11 -1.859 . . . . 0.0 109.322 -179.623 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.402 HD11 HD21 ' A' ' 25' ' ' LEU 0.302 12.4 mt -160.23 135.66 8.15 Favored 'General case' 0 CA--C 1.499 -0.996 0 CA-C-N 111.816 -2.447 . . . . 0.0 113.894 179.509 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 57.37 31.45 20.19 Favored 'General case' 0 CA--C 1.549 0.911 0 CA-C-N 110.193 -3.185 . . . . 0.0 113.353 171.843 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 75.25 15.43 81.16 Favored Glycine 0 C--N 1.354 1.563 0 CA-C-N 113.063 -1.881 . . . . 0.0 114.084 -179.668 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 57.9 mtpt -135.41 131.03 35.76 Favored 'General case' 0 C--N 1.354 0.775 0 N-CA-C 109.152 -0.685 . . . . 0.0 109.152 -179.413 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -98.14 146.1 25.92 Favored 'General case' 0 CA--C 1.544 0.724 0 N-CA-C 106.937 -1.505 . . . . 0.0 106.937 177.783 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -178.61 170.9 43.05 Favored Glycine 0 C--N 1.343 0.95 0 C-N-CA 119.103 -1.522 . . . . 0.0 112.119 -177.791 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.401 ' HA ' ' O ' ' A' ' 37' ' ' TYR . 76.9 m-85 -80.85 143.38 32.8 Favored 'General case' 0 C--N 1.349 0.568 0 CA-C-N 112.211 -1.994 . . . . 0.0 110.969 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 26.9 pt -140.23 142.27 29.29 Favored Pre-proline 0 CA--C 1.543 0.687 0 CA-C-N 110.978 -2.828 . . . . 0.0 106.082 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -71.92 143.63 41.35 Favored 'Trans proline' 0 C--N 1.361 1.197 0 C-N-CA 121.192 1.261 . . . . 0.0 112.698 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 83.2 mttt -71.71 -26.84 62.66 Favored 'General case' 0 C--N 1.355 0.816 0 C-N-CA 118.495 -1.282 . . . . 0.0 111.936 -179.501 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . 0.303 1.2 p-10 -75.84 -12.36 60.15 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 117.809 -1.556 . . . . 0.0 112.56 178.56 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.4 ' CE1' HG22 ' B' ' 5' ' ' VAL . 8.8 m-85 -94.1 -8.46 39.56 Favored 'General case' 0 C--N 1.357 0.92 0 C-N-CA 118.986 -1.086 . . . . 0.0 113.759 177.513 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.564 ' CD1' ' HB1' ' A' ' 3' ' ' ALA . 0.1 OUTLIER -133.12 171.26 18.44 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.189 0 CA-C-O 122.739 1.257 . . . . 0.0 110.793 -179.78 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.485 ' N ' HG13 ' A' ' 53' ' ' ILE . 27.9 tt0 -131.21 137.35 48.9 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 128.923 2.889 . . . . 0.0 104.499 175.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' MET . . . . . 0.502 ' SD ' ' SD ' ' A' ' 1' ' ' MET . 72.0 mtm -86.25 -77.81 0.3 Allowed 'General case' 0 C--N 1.352 0.713 0 CA-C-O 124.401 2.048 . . . . 0.0 113.95 -177.701 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 12.0 mmmm 65.86 97.39 0.04 OUTLIER Pre-proline 0 CA--C 1.554 1.097 1 CA-C-N 107.242 -4.526 . . . . 0.0 110.304 -177.908 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 23.1 Cg_endo . . . . . 0 C--N 1.367 1.514 0 C-N-CA 121.158 1.239 . . . . 0.0 109.62 177.455 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.224 -0.28 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 61.5 t -124.25 84.53 55.89 Favored Pre-proline 0 CA--C 1.54 0.595 0 O-C-N 125.576 1.798 . . . . 0.0 107.056 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 5.9 Cg_endo -68.09 163.46 35.85 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 122.827 0.909 . . . . 0.0 114.015 -179.163 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 69.9 Cg_exo -37.63 154.94 0.03 OUTLIER 'Trans proline' 0 C--N 1.367 1.542 0 C-N-CA 125.134 3.889 . . . . 0.0 118.928 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -75.43 120.4 5.92 Favored 'Trans proline' 0 C--N 1.365 1.407 0 N-CA-C 106.032 -2.334 . . . . 0.0 106.032 175.886 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 5' ' ' VAL . . . . . 0.4 HG22 ' CE1' ' A' ' 52' ' ' TYR . 2.6 t -66.07 137.86 95.97 Favored Pre-proline 0 CA--C 1.548 0.898 0 CA-C-N 112.092 -2.322 . . . . 0.0 110.474 -177.911 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 12.9 Cg_exo -60.16 156.82 37.78 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 123.256 1.134 . . . . 0.0 113.123 179.546 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -77.21 111.33 3.18 Favored 'Trans proline' 0 C--N 1.357 1.015 0 N-CA-C 108.549 -1.366 . . . . 0.0 108.549 177.082 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 8' ' ' ARG . . . . . 0.55 HH21 ' HB3' ' A' ' 14' ' ' ASP . 33.4 ttp85 -86.19 101.61 13.16 Favored 'General case' 0 C--N 1.351 0.667 0 CA-C-O 123.056 1.408 . . . . 0.0 108.503 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . 0.278 5.9 mmp_? -111.05 -97.86 0.41 Allowed 'General case' 0 N--CA 1.431 -1.38 0 CA-C-N 111.066 -2.788 . . . . 0.0 108.934 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 15.4 mmm180 67.48 127.25 0.02 OUTLIER 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 108.847 -3.797 . . . . 0.0 109.975 -179.841 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.337 0.064 0 CA-C-N 112.079 -2.328 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 57.9 ttp . . . . . 0 CA--C 1.537 0.464 0 CA-C-O 121.728 0.775 . . . . 0.0 110.644 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -88.68 115.46 26.23 Favored 'General case' 0 C--N 1.358 0.97 0 CA-C-N 112.41 -2.177 . . . . 0.0 108.782 179.359 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.648 ' HB1' HD12 ' A' ' 53' ' ' ILE . . . -103.02 142.22 34.47 Favored 'General case' 0 C--N 1.348 0.541 0 CA-C-N 111.675 -2.511 . . . . 0.0 109.465 -179.461 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.416 ' H ' HG13 ' A' ' 53' ' ' ILE . 16.2 mt -147.55 110.73 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.35 0.616 0 CA-C-N 112.47 -2.15 . . . . 0.0 107.796 -178.326 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -65.7 128.28 35.32 Favored 'General case' 0 CA--C 1.545 0.764 0 CA-C-O 122.378 1.085 . . . . 0.0 110.12 179.778 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 5.7 mtmp? -87.78 -25.89 23.14 Favored 'General case' 0 C--O 1.221 -0.41 0 CA-C-N 112.545 -2.116 . . . . 0.0 110.912 179.428 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 91.3 m-85 -138.09 166.59 23.75 Favored 'General case' 0 C--N 1.347 0.495 0 CA-C-O 123.751 1.738 . . . . 0.0 109.734 -179.112 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -85.19 132.96 34.21 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 109.608 -3.451 . . . . 0.0 106.622 179.352 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 21.2 t80 -139.24 157.89 45.12 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 111.966 -2.379 . . . . 0.0 111.214 -178.151 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.2 tppp? -134.13 118.83 18.13 Favored 'General case' 0 N--CA 1.442 -0.873 1 CA-C-N 108.391 -4.004 . . . . 0.0 106.019 178.933 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -50.18 154.09 1.28 Allowed 'General case' 0 C--N 1.359 1.001 0 CA-C-O 123.47 1.605 . . . . 0.0 113.003 179.101 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -104.01 -17.85 14.81 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-N 109.888 -3.324 . . . . 0.0 112.173 -179.164 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -151.96 175.98 11.96 Favored 'General case' 0 C--N 1.35 0.612 0 CA-C-N 114.212 -1.358 . . . . 0.0 109.148 -179.727 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -70.91 -27.69 63.97 Favored 'General case' 0 CA--C 1.547 0.832 0 CA-C-N 111.543 -2.571 . . . . 0.0 112.94 -178.598 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -80.0 -20.35 45.65 Favored 'General case' 0 CA--C 1.547 0.849 0 CA-C-N 115.06 -0.973 . . . . 0.0 110.731 178.854 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -97.82 155.18 17.17 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-N 113.484 -1.689 . . . . 0.0 108.01 178.226 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.3 pp -135.68 164.39 27.98 Favored 'General case' 0 C--N 1.351 0.674 0 CA-C-N 111.753 -2.476 . . . . 0.0 109.945 177.185 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 50.6 m -87.1 158.27 19.22 Favored 'General case' 0 N--CA 1.438 -1.071 0 CA-C-N 108.639 -3.891 . . . . 0.0 112.484 -176.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 24.7 p90 -159.5 151.82 21.09 Favored 'General case' 0 C--O 1.222 -0.356 0 CA-C-N 109.339 -3.573 . . . . 0.0 105.772 177.673 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 18.3 mmtt -110.77 146.23 36.73 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 112.846 -1.979 . . . . 0.0 106.513 -179.663 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 12.5 ttt85 -46.18 111.75 0.4 Allowed 'General case' 0 CA--C 1.554 1.116 0 O-C-N 124.798 1.311 . . . . 0.0 112.468 178.355 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 106.09 11.58 27.58 Favored Glycine 0 CA--C 1.532 1.128 0 CA-C-N 111.473 -2.603 . . . . 0.0 114.401 179.08 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 40.6 m-20 -79.11 144.44 34.54 Favored 'General case' 0 C--N 1.366 1.313 0 C-N-CA 116.133 -2.227 . . . . 0.0 109.554 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 71.7 mt -100.98 124.11 54.41 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.576 0 N-CA-C 105.722 -1.955 . . . . 0.0 105.722 178.64 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.548 ' HB2' ' HB3' ' A' ' 3' ' ' ALA . 2.3 mp -114.76 161.78 17.72 Favored 'General case' 0 C--N 1.354 0.765 0 CA-C-N 113.174 -1.83 . . . . 0.0 109.628 -178.416 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 81.4 tttt -111.5 111.58 22.7 Favored 'General case' 0 C--O 1.217 -0.651 0 CA-C-N 110.301 -3.136 . . . . 0.0 110.09 178.178 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.548 HG23 ' HB2' ' A' ' 3' ' ' ALA . 70.2 t -89.79 104.26 14.95 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.362 0 N-CA-C 106.745 -1.576 . . . . 0.0 106.745 -177.596 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -90.45 -32.43 16.4 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-N 110.564 -3.016 . . . . 0.0 109.765 -177.892 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 43.2 t30 -142.25 156.42 45.29 Favored 'General case' 0 CA--C 1.548 0.882 0 CA-C-N 114.084 -1.417 . . . . 0.0 109.35 -179.631 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -160.9 50.22 0.25 Allowed 'General case' 0 CA--C 1.546 0.818 0 CA-C-N 113.475 -1.693 . . . . 0.0 109.434 -179.329 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -138.81 103.71 4.89 Favored 'General case' 0 N--CA 1.435 -1.208 0 N-CA-C 105.162 -2.162 . . . . 0.0 105.162 -178.387 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 4.9 m 172.28 -45.28 0.01 OUTLIER 'General case' 0 C--O 1.225 -0.188 0 CA-C-N 110.88 -2.873 . . . . 0.0 105.478 -178.878 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.571 ' HB2' ' HD2' ' B' ' 10' ' ' ARG . 36.5 t0 -171.03 168.51 6.91 Favored 'General case' 0 C--N 1.354 0.766 0 CA-C-N 111.908 -2.405 . . . . 0.0 108.895 179.548 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 97.4 mm-40 -72.4 -67.58 0.54 Allowed 'General case' 0 C--N 1.35 0.622 0 CA-C-N 113.44 -1.709 . . . . 0.0 107.051 177.754 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.513 ' O ' ' HA ' ' A' ' 49' ' ' PRO . 64.1 m-80 -44.73 -22.27 0.08 Allowed 'General case' 0 C--O 1.215 -0.718 1 C-N-CA 133.656 4.783 . . . . 0.0 112.31 178.284 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 70.0 m95 -138.48 117.61 12.61 Favored 'General case' 0 C--N 1.345 0.404 0 C-N-CA 118.039 -1.464 . . . . 0.0 109.685 178.877 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.46 ' O ' ' HA ' ' A' ' 47' ' ' PHE . 24.4 m-85 -102.05 168.63 9.27 Favored 'General case' 0 C--O 1.215 -0.739 0 CA-C-N 110.677 -2.965 . . . . 0.0 106.607 177.665 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 53.1 tttm -123.89 111.94 16.66 Favored 'General case' 0 N--CA 1.448 -0.527 0 O-C-N 125.809 1.943 . . . . 0.0 106.334 179.399 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -133.9 -179.1 5.33 Favored 'General case' 0 C--N 1.352 0.698 0 CA-C-N 114.277 -1.329 . . . . 0.0 110.553 -177.494 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -122.98 150.38 43.07 Favored 'General case' 0 C--N 1.354 0.795 0 CA-C-O 123.804 1.764 . . . . 0.0 111.518 -177.569 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . 0.27 12.1 mt -159.79 169.2 24.12 Favored 'General case' 0 CA--C 1.503 -0.848 0 CA-C-N 109.129 -3.668 . . . . 0.0 109.707 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . 0.308 1.0 OUTLIER 45.36 -81.85 0.0 OUTLIER 'General case' 0 N--CA 1.438 -1.03 0 CA-C-N 109.056 -3.702 . . . . 0.0 114.456 171.483 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -160.73 10.34 0.13 Allowed Glycine 0 CA--C 1.537 1.424 1 CA-C-N 108.015 -4.175 . . . . 0.0 111.584 178.677 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -137.49 139.71 40.72 Favored 'General case' 0 C--N 1.357 0.898 0 CA-C-O 122.003 0.906 . . . . 0.0 110.445 -179.736 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -102.15 138.01 39.66 Favored 'General case' 0 CA--C 1.559 1.289 0 N-CA-C 105.209 -2.145 . . . . 0.0 105.209 176.053 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -169.58 176.21 43.57 Favored Glycine 0 C--N 1.349 1.259 0 C-N-CA 119.53 -1.319 . . . . 0.0 112.775 -177.534 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.46 ' HA ' ' O ' ' A' ' 37' ' ' TYR . 96.5 m-85 -80.4 144.77 32.41 Favored 'General case' 0 C--N 1.354 0.775 0 CA-C-N 113.285 -1.457 . . . . 0.0 111.901 -179.462 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 25.5 pt -139.15 139.14 22.24 Favored Pre-proline 0 CA--C 1.553 1.082 0 CA-C-N 113.456 -1.702 . . . . 0.0 109.281 -179.611 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.513 ' HA ' ' O ' ' A' ' 35' ' ' ASN . 5.2 Cg_exo -66.89 145.11 73.34 Favored 'Trans proline' 0 CA--C 1.558 1.694 0 C-N-CA 122.296 1.997 . . . . 0.0 115.115 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.411 ' HZ2' ' N ' ' A' ' 35' ' ' ASN . 27.7 mtmm -69.49 -38.65 77.75 Favored 'General case' 0 C--N 1.378 1.843 0 C-N-CA 113.996 -3.081 . . . . 0.0 112.679 178.594 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 20.5 p-10 -58.83 -19.41 41.11 Favored 'General case' 0 CA--C 1.553 1.062 0 N-CA-C 114.42 1.267 . . . . 0.0 114.42 -179.768 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.439 ' CE1' HG22 ' B' ' 5' ' ' VAL . 12.4 m-85 -95.02 -5.95 43.36 Favored 'General case' 0 C--N 1.354 0.766 0 N-CA-C 114.263 1.209 . . . . 0.0 114.263 -179.614 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.648 HD12 ' HB1' ' A' ' 3' ' ' ALA . 0.1 OUTLIER -129.55 162.19 37.59 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.892 0 CA-C-O 123.171 1.462 . . . . 0.0 110.714 -179.355 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -105.39 106.5 17.02 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-N 110.503 -3.044 . . . . 0.0 104.445 177.034 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' MET . . . . . 0.498 ' SD ' HG12 ' A' ' 53' ' ' ILE . 4.6 mpp? -91.07 149.39 21.84 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 112.78 -2.009 . . . . 0.0 110.295 179.853 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 51.0 mtmt -153.47 81.99 4.82 Favored Pre-proline 0 CA--C 1.548 0.888 0 CA-C-N 112.999 -1.91 . . . . 0.0 111.131 -179.167 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 95.2 Cg_endo . . . . . 0 C--N 1.371 1.726 0 C-N-CA 122.297 1.998 . . . . 0.0 108.856 176.312 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.224 -0.265 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 2.5 m -69.66 120.55 78.13 Favored Pre-proline 0 N--CA 1.432 -1.338 0 O-C-N 124.644 1.215 . . . . 0.0 108.25 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 2' ' ' PRO . . . . . 0.45 ' HA ' ' HD3' ' B' ' 3' ' ' PRO . 53.3 Cg_exo -47.2 130.87 17.41 Favored 'Trans proline' 0 CA--C 1.578 2.686 0 N-CA-C 116.262 1.601 . . . . 0.0 116.262 -179.308 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 3' ' ' PRO . . . . . 0.45 ' HD3' ' HA ' ' B' ' 2' ' ' PRO . 88.9 Cg_exo -46.29 162.09 0.14 Allowed 'Trans proline' 0 C--N 1.38 2.211 1 C-N-CA 125.977 4.452 . . . . 0.0 119.443 -177.477 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -77.01 113.55 3.64 Favored 'Trans proline' 0 C--N 1.361 1.225 0 N-CA-C 106.552 -2.134 . . . . 0.0 106.552 175.522 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 5' ' ' VAL . . . . . 0.439 HG22 ' CE1' ' A' ' 52' ' ' TYR . 1.5 t -64.38 134.54 96.02 Favored Pre-proline 0 CA--C 1.56 1.336 0 CA-C-N 111.145 -2.752 . . . . 0.0 111.366 -177.118 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 6' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' B' ' 5' ' ' VAL . 38.2 Cg_exo -57.75 161.04 13.3 Favored 'Trans proline' 0 C--N 1.371 1.736 0 C-N-CA 122.47 2.114 . . . . 0.0 115.482 -179.028 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -76.65 118.0 4.71 Favored 'Trans proline' 0 C--N 1.362 1.262 0 C-N-CA 121.505 1.47 . . . . 0.0 109.64 177.288 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 8' ' ' ARG . . . . . 0.571 ' HD3' ' H ' ' B' ' 8' ' ' ARG . 0.0 OUTLIER -103.6 124.27 48.5 Favored 'General case' 0 C--N 1.349 0.572 0 CA-C-N 113.905 -1.498 . . . . 0.0 109.016 179.675 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 15.9 ptm180 -167.98 37.53 0.03 OUTLIER 'General case' 0 C--N 1.349 0.579 0 CA-C-N 112.008 -2.36 . . . . 0.0 109.837 179.747 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 10' ' ' ARG . . . . . 0.571 ' HD2' ' HB2' ' A' ' 33' ' ' ASP . 5.9 mtt-85 -116.94 90.12 3.26 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-N 111.322 -2.672 . . . . 0.0 109.977 -178.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.341 0.196 0 CA-C-N 112.585 -2.098 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.4 ttt . . . . . 0 CA--C 1.537 0.447 0 N-CA-C 106.414 -1.699 . . . . 0.0 106.414 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -62.68 119.04 8.5 Favored 'General case' 0 C--N 1.354 0.792 0 CA-C-N 113.275 -1.784 . . . . 0.0 110.67 -178.36 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.614 ' HB1' HD12 ' A' ' 53' ' ' ILE . . . -107.16 145.29 32.74 Favored 'General case' 0 N--CA 1.445 -0.675 0 CA-C-N 111.262 -2.699 . . . . 0.0 109.076 179.791 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 34.2 mt -145.02 114.52 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.351 0.643 0 CA-C-N 113.836 -1.529 . . . . 0.0 109.402 -178.734 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.46 ' HB3' ' H ' ' A' ' 22' ' ' GLY . . . -66.89 122.7 18.28 Favored 'General case' 0 CA--C 1.548 0.898 0 CA-C-N 114.605 -1.18 . . . . 0.0 110.203 178.227 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 23.7 mtmm -87.02 -24.59 24.59 Favored 'General case' 0 C--N 1.344 0.356 0 CA-C-N 113.768 -1.56 . . . . 0.0 110.676 179.257 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 78.7 m-85 -140.05 169.57 17.46 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 112.915 -1.948 . . . . 0.0 110.95 -178.735 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -83.78 122.73 29.06 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-N 109.266 -3.607 . . . . 0.0 107.011 179.637 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 33.2 t80 -138.89 150.27 45.78 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 112.786 -2.006 . . . . 0.0 111.185 -178.561 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 43.0 mttp -133.03 137.54 46.49 Favored 'General case' 0 N--CA 1.446 -0.649 0 CA-C-N 110.372 -3.104 . . . . 0.0 108.524 176.413 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -51.72 142.92 13.77 Favored 'General case' 0 C--N 1.346 0.443 0 CA-C-N 111.856 -2.429 . . . . 0.0 112.085 179.388 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 69.4 p -107.49 -51.16 2.95 Favored 'General case' 0 N--CA 1.448 -0.525 0 CA-C-N 110.95 -2.841 . . . . 0.0 107.391 178.261 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -88.85 173.84 8.3 Favored 'General case' 0 N--CA 1.445 -0.676 0 CA-C-N 111.976 -2.374 . . . . 0.0 109.024 179.136 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -87.6 -20.06 26.92 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-N 110.592 -3.004 . . . . 0.0 112.536 -179.134 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 16.0 p-10 -91.58 -8.2 48.05 Favored 'General case' 0 CA--C 1.548 0.885 0 CA-C-N 113.052 -1.886 . . . . 0.0 110.307 178.485 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -99.7 156.31 17.15 Favored 'General case' 0 C--N 1.351 0.643 0 CA-C-N 112.371 -2.195 . . . . 0.0 109.12 -179.29 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.9 pp -135.74 159.24 42.26 Favored 'General case' 0 C--N 1.351 0.638 0 CA-C-N 112.358 -2.201 . . . . 0.0 110.732 178.151 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 54.8 m -86.4 155.46 20.57 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 110.623 -2.989 . . . . 0.0 112.191 -176.749 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.418 ' HB3' HD11 ' A' ' 41' ' ' LEU . 37.2 p90 -159.65 146.18 16.3 Favored 'General case' 0 C--O 1.219 -0.525 0 CA-C-N 111.39 -2.641 . . . . 0.0 107.257 178.442 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 49.8 pttt -104.86 146.65 28.7 Favored 'General case' 0 C--O 1.224 -0.265 0 CA-C-N 113.4 -1.727 . . . . 0.0 106.782 179.675 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 5.5 tmm_? -46.05 100.96 0.02 OUTLIER 'General case' 0 CA--C 1.549 0.905 0 O-C-N 125.517 1.761 . . . . 0.0 111.698 178.692 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.46 ' H ' ' HB3' ' A' ' 5' ' ' ALA . . . 125.29 -3.69 8.29 Favored Glycine 0 C--N 1.352 1.452 0 CA-C-N 113.449 -1.705 . . . . 0.0 114.993 179.479 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 -74.61 142.83 44.57 Favored 'General case' 0 C--N 1.365 1.255 0 C-N-CA 116.409 -2.116 . . . . 0.0 109.704 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 45.4 mm -100.46 116.38 43.76 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.399 0 CA-C-N 111.774 -2.466 . . . . 0.0 105.283 179.261 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.909 HD12 ' HG ' ' A' ' 41' ' ' LEU . 0.2 OUTLIER -102.83 -177.45 3.38 Favored 'General case' 0 C--N 1.35 0.629 0 CA-C-N 113.735 -1.575 . . . . 0.0 109.758 -178.337 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 12.8 mmmt -129.47 110.13 11.62 Favored 'General case' 0 C--O 1.215 -0.715 0 CA-C-N 110.074 -3.239 . . . . 0.0 107.673 179.255 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.485 HG23 ' HB2' ' A' ' 3' ' ' ALA . 9.4 t -87.95 99.05 8.23 Favored 'Isoleucine or valine' 0 C--N 1.348 0.537 0 CA-C-O 124.307 2.003 . . . . 0.0 109.413 -176.511 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.1 mp -95.18 73.21 3.37 Favored 'General case' 0 CA--C 1.546 0.808 0 CA-C-N 108.405 -3.998 . . . . 0.0 109.573 178.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 . . . . . 0 CA--C 1.553 1.089 0 CA-C-N 113.392 -1.731 . . . . 0.0 113.6 177.627 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 28.8 m-20 . . . . . 0 CA--C 1.543 0.691 0 CA-C-O 119.039 -0.505 . . . . 0.0 110.841 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.413 ' CD1' ' HD3' ' B' ' 8' ' ' ARG . 60.5 m95 -138.61 140.08 38.81 Favored 'General case' 0 C--N 1.361 1.09 0 CA-C-O 121.929 0.871 . . . . 0.0 110.986 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.438 ' O ' ' HA ' ' A' ' 47' ' ' PHE . 11.8 m-85 -104.33 172.58 6.72 Favored 'General case' 0 C--O 1.218 -0.56 0 N-CA-C 106.079 -1.823 . . . . 0.0 106.079 177.142 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 83.9 tttt -128.21 83.64 2.17 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 103.613 -2.736 . . . . 0.0 103.613 177.011 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -105.86 -175.66 2.86 Favored 'General case' 0 C--N 1.358 0.936 0 CA-C-N 113.165 -1.834 . . . . 0.0 111.103 -176.777 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -131.11 145.0 51.83 Favored 'General case' 0 C--N 1.36 1.03 0 CA-C-O 123.394 1.569 . . . . 0.0 112.629 -178.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.909 ' HG ' HD12 ' A' ' 25' ' ' LEU 0.323 10.8 mt -160.73 137.62 8.93 Favored 'General case' 0 C--N 1.351 0.663 0 CA-C-N 109.933 -3.303 . . . . 0.0 114.051 178.732 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 55.75 32.45 19.49 Favored 'General case' 0 CA--C 1.545 0.785 0 CA-C-N 110.618 -2.992 . . . . 0.0 114.387 170.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 75.2 17.57 80.2 Favored Glycine 0 C--N 1.354 1.562 0 CA-C-N 113.478 -1.692 . . . . 0.0 113.76 -179.69 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 28.9 mtpp -136.03 131.49 35.02 Favored 'General case' 0 C--N 1.353 0.74 0 N-CA-C 108.427 -0.953 . . . . 0.0 108.427 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -98.65 144.43 27.93 Favored 'General case' 0 CA--C 1.546 0.799 0 N-CA-C 105.095 -2.187 . . . . 0.0 105.095 177.327 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -173.41 172.34 45.12 Favored Glycine 0 C--N 1.343 0.939 0 C-N-CA 119.269 -1.443 . . . . 0.0 112.0 -178.22 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.438 ' HA ' ' O ' ' A' ' 37' ' ' TYR . 99.3 m-85 -81.05 138.93 35.98 Favored 'General case' 0 C--N 1.347 0.461 0 CA-C-N 112.127 -2.037 . . . . 0.0 111.863 -179.426 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 47.2 pt -139.27 138.26 20.43 Favored Pre-proline 0 CA--C 1.545 0.788 0 CA-C-N 112.256 -2.247 . . . . 0.0 107.191 179.45 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -66.49 140.34 57.08 Favored 'Trans proline' 0 C--N 1.365 1.409 0 C-N-CA 121.624 1.549 . . . . 0.0 112.888 -179.64 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 84.4 mttt -72.1 -22.86 61.29 Favored 'General case' 0 C--N 1.358 0.951 0 C-N-CA 119.306 -0.957 . . . . 0.0 111.471 -179.176 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.409 HD22 ' HB2' ' B' ' 3' ' ' PRO . 7.6 p-10 -77.39 -19.97 55.39 Favored 'General case' 0 CA--C 1.546 0.812 0 CA-C-N 114.024 -1.444 . . . . 0.0 112.699 179.39 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.453 ' CE1' HG22 ' B' ' 5' ' ' VAL . 8.6 m-85 -92.31 -2.47 56.39 Favored 'General case' 0 CA--C 1.551 0.998 0 C-N-CA 118.745 -1.182 . . . . 0.0 112.846 178.05 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.614 HD12 ' HB1' ' A' ' 3' ' ' ALA . 0.1 OUTLIER -130.9 159.08 43.2 Favored 'Isoleucine or valine' 0 C--N 1.358 0.972 0 CA-C-O 122.514 1.149 . . . . 0.0 110.496 179.141 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 70.5 tt0 . . . . . 0 C--N 1.35 0.602 0 CA-C-N 111.703 -2.498 . . . . 0.0 105.461 176.694 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 87.5 t . . . . . 0 CA--C 1.551 0.986 0 N-CA-C 112.607 0.595 . . . . 0.0 112.607 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_exo -49.19 149.22 9.04 Favored 'Trans proline' 0 CA--C 1.56 1.796 0 C-N-CA 122.016 1.811 . . . . 0.0 115.283 -179.577 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 3' ' ' PRO . . . . . 0.409 ' HB2' HD22 ' A' ' 51' ' ' ASN . 85.6 Cg_exo -47.79 159.83 0.52 Allowed 'Trans proline' 0 C--N 1.367 1.506 0 C-N-CA 124.681 3.587 . . . . 0.0 118.071 -179.825 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 63.6 Cg_endo -80.91 120.99 3.93 Favored 'Trans proline' 0 C--N 1.363 1.318 0 N-CA-C 104.956 -2.748 . . . . 0.0 104.956 174.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . 0.453 HG22 ' CE1' ' A' ' 52' ' ' TYR . 1.8 t -66.74 137.84 95.13 Favored Pre-proline 0 CA--C 1.546 0.8 0 CA-C-N 111.479 -2.6 . . . . 0.0 110.262 -177.257 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_exo -60.4 150.51 80.37 Favored 'Trans proline' 0 C--N 1.359 1.128 0 N-CA-C 114.957 1.099 . . . . 0.0 114.957 -179.562 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -80.65 104.76 1.63 Allowed 'Trans proline' 0 C--N 1.359 1.111 0 N-CA-C 106.85 -2.019 . . . . 0.0 106.85 176.566 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 8' ' ' ARG . . . . . 0.413 ' HD3' ' CD1' ' A' ' 36' ' ' TRP . 2.2 tpt180 . . . . . 0 CA--C 1.548 0.871 0 CA-C-N 113.409 -1.723 . . . . 0.0 110.069 -178.039 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 32.1 tpp . . . . . 0 N--CA 1.448 -0.562 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 42.1 mm-40 -83.06 114.49 21.33 Favored 'General case' 0 C--N 1.349 0.551 0 CA-C-N 113.651 -1.613 . . . . 0.0 107.536 179.436 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.694 ' HB1' HD12 ' A' ' 53' ' ' ILE . . . -101.69 153.9 19.36 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 111.145 -2.752 . . . . 0.0 111.147 -177.505 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 63.0 mt -146.21 110.47 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.348 0.543 0 CA-C-N 112.661 -2.063 . . . . 0.0 108.728 -179.098 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -67.37 126.04 28.0 Favored 'General case' 0 CA--C 1.552 1.031 0 CA-C-N 114.7 -1.136 . . . . 0.0 108.929 177.595 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 39.6 mtmt -87.88 -23.96 23.8 Favored 'General case' 0 C--N 1.341 0.235 0 CA-C-N 113.822 -1.535 . . . . 0.0 111.818 179.676 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.563 ' CE1' ' HD3' ' B' ' 2' ' ' PRO . 64.9 m-85 -139.98 171.95 13.46 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 113.038 -1.892 . . . . 0.0 111.462 -178.251 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -85.92 133.89 33.92 Favored 'General case' 0 N--CA 1.444 -0.752 0 CA-C-N 109.127 -3.669 . . . . 0.0 104.259 177.391 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 28.1 t80 -140.41 149.06 42.15 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-N 110.134 -3.212 . . . . 0.0 110.689 -178.675 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.453 ' H ' ' HD2' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -132.79 126.4 32.29 Favored 'General case' 0 CA--C 1.537 0.481 0 CA-C-N 109.981 -3.282 . . . . 0.0 106.961 178.085 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -52.1 153.0 2.9 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-O 123.24 1.495 . . . . 0.0 112.723 179.633 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 18.2 p -109.54 -12.57 14.67 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 110.376 -3.102 . . . . 0.0 111.21 179.566 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -151.03 164.75 35.7 Favored 'General case' 0 C--N 1.349 0.55 0 CA-C-N 112.992 -1.913 . . . . 0.0 109.136 -178.651 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -66.17 -26.85 67.6 Favored 'General case' 0 CA--C 1.549 0.94 0 CA-C-N 111.944 -2.389 . . . . 0.0 112.294 -178.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -78.75 -18.59 53.98 Favored 'General case' 0 C--N 1.354 0.794 0 CA-C-N 113.828 -1.533 . . . . 0.0 112.202 179.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -98.96 158.0 15.94 Favored 'General case' 0 C--N 1.347 0.471 0 CA-C-N 113.257 -1.792 . . . . 0.0 107.736 179.65 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.51 HD12 ' O ' ' A' ' 18' ' ' SER . 0.2 OUTLIER -134.32 157.12 47.15 Favored 'General case' 0 C--N 1.35 0.588 0 CA-C-N 113.21 -1.814 . . . . 0.0 109.276 179.39 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.51 ' O ' HD12 ' A' ' 17' ' ' LEU . 49.7 m -86.81 157.88 19.48 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-N 110.78 -2.918 . . . . 0.0 111.65 -177.615 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 30.8 p90 -160.55 152.98 20.63 Favored 'General case' 0 C--O 1.22 -0.456 0 CA-C-N 111.717 -2.492 . . . . 0.0 107.147 177.163 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 39.5 mtmt -106.38 144.12 33.52 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-N 112.308 -2.224 . . . . 0.0 107.181 -179.61 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 6.1 tmm_? -45.94 102.41 0.03 OUTLIER 'General case' 0 CA--C 1.549 0.907 0 O-C-N 125.519 1.762 . . . . 0.0 111.184 177.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 123.52 -6.06 9.2 Favored Glycine 0 C--N 1.352 1.455 0 CA-C-N 113.544 -1.662 . . . . 0.0 114.596 179.592 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 71.2 m-20 -75.94 143.12 41.8 Favored 'General case' 0 C--N 1.365 1.248 0 C-N-CA 116.204 -2.198 . . . . 0.0 108.646 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 89.8 mt -98.18 126.99 51.08 Favored 'Isoleucine or valine' 0 C--N 1.341 0.206 0 N-CA-C 103.536 -2.764 . . . . 0.0 103.536 179.163 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.547 ' CD1' HD11 ' A' ' 41' ' ' LEU . 1.4 mm? -101.87 168.92 9.12 Favored 'General case' 0 CA--C 1.508 -0.661 0 CA-C-O 123.628 1.68 . . . . 0.0 110.198 -177.649 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 12.4 tmtt? -117.91 107.27 13.88 Favored 'General case' 0 C--O 1.215 -0.754 0 CA-C-N 108.593 -3.912 . . . . 0.0 108.832 -179.502 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 10.1 t -87.84 131.06 36.45 Favored 'Isoleucine or valine' 0 C--N 1.346 0.456 0 C-N-CA 116.265 -2.174 . . . . 0.0 108.173 -177.08 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 27.2 tp -143.94 80.95 1.67 Allowed 'General case' 0 N--CA 1.447 -0.612 0 CA-C-N 109.692 -3.413 . . . . 0.0 105.681 -177.265 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 80.3 m-20 . . . . . 0 C--N 1.349 0.578 0 CA-C-N 109.901 -3.318 . . . . 0.0 107.663 -177.883 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 12.6 m120 . . . . . 0 N--CA 1.442 -0.842 0 CA-C-O 119.247 -0.406 . . . . 0.0 110.46 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 84.9 m95 -137.23 147.02 45.5 Favored 'General case' 0 C--N 1.357 0.898 0 CA-C-O 122.773 1.273 . . . . 0.0 110.691 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -129.59 149.71 51.23 Favored 'General case' 0 C--O 1.219 -0.519 0 CA-C-N 111.264 -2.698 . . . . 0.0 108.051 178.222 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 38.3 ttmt -103.42 116.21 31.99 Favored 'General case' 0 CA--C 1.536 0.412 0 N-CA-C 105.397 -2.075 . . . . 0.0 105.397 176.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -137.2 178.35 7.16 Favored 'General case' 0 C--N 1.351 0.663 0 C-N-CA 118.573 -1.251 . . . . 0.0 111.129 -179.425 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -129.74 146.93 51.48 Favored 'General case' 0 C--N 1.361 1.078 0 CA-C-O 123.016 1.388 . . . . 0.0 112.677 -177.261 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.547 HD11 ' CD1' ' A' ' 25' ' ' LEU 0.333 9.4 mt -161.11 138.45 9.04 Favored 'General case' 0 C--N 1.353 0.727 0 CA-C-N 110.15 -3.204 . . . . 0.0 112.681 178.66 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 56.29 28.76 13.83 Favored 'General case' 0 CA--C 1.549 0.921 0 CA-C-N 111.995 -2.366 . . . . 0.0 115.162 170.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 72.52 21.6 79.41 Favored Glycine 0 CA--C 1.541 1.695 0 CA-C-N 114.511 -1.222 . . . . 0.0 113.386 -179.468 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -137.08 114.71 11.16 Favored 'General case' 0 C--N 1.35 0.623 0 CA-C-N 113.64 -1.28 . . . . 0.0 108.118 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -97.5 137.9 35.74 Favored 'General case' 0 CA--C 1.551 0.991 0 CA-C-N 113.765 -1.561 . . . . 0.0 107.862 179.435 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -169.39 175.12 43.75 Favored Glycine 0 C--N 1.348 1.211 0 CA-C-N 113.574 -1.648 . . . . 0.0 112.493 -178.372 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -80.57 149.66 29.84 Favored 'General case' 0 CA--C 1.542 0.661 0 CA-C-N 113.622 -1.289 . . . . 0.0 111.345 179.521 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 31.2 pt -140.65 141.21 24.24 Favored Pre-proline 0 CA--C 1.549 0.923 0 CA-C-N 111.924 -2.398 . . . . 0.0 107.446 179.384 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 5.4 Cg_endo -74.06 144.79 34.44 Favored 'Trans proline' 0 C--N 1.362 1.288 0 C-N-CA 121.761 1.641 . . . . 0.0 113.1 179.447 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 36.6 mtmt -71.59 -33.19 68.82 Favored 'General case' 0 C--N 1.362 1.134 0 C-N-CA 116.431 -2.107 . . . . 0.0 112.308 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . 0.352 0.9 OUTLIER -69.34 -9.01 51.42 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 117.213 -1.795 . . . . 0.0 114.221 -179.872 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.403 ' CE1' HG22 ' B' ' 5' ' ' VAL . 15.1 m-85 -95.31 -4.76 44.96 Favored 'General case' 0 C--N 1.354 0.784 0 C-N-CA 119.407 -0.917 . . . . 0.0 112.253 177.39 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.694 HD12 ' HB1' ' A' ' 3' ' ' ALA . 0.1 OUTLIER -128.4 166.23 26.14 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.035 0 CA-C-O 123.125 1.441 . . . . 0.0 110.937 179.18 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.413 ' N ' ' CG1' ' A' ' 53' ' ' ILE . 36.1 tt0 . . . . . 0 CA--C 1.545 0.762 0 CA-C-N 110.6 -3.0 . . . . 0.0 106.132 177.475 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 1' ' ' VAL . . . . . 0.542 ' N ' ' HD2' ' B' ' 2' ' ' PRO 2.308 7.5 p . . . . . 0 CA--C 1.556 1.202 0 N-CA-C 115.377 1.621 . . . . 0.0 115.377 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 2' ' ' PRO . . . . . 0.563 ' HD3' ' CE1' ' A' ' 7' ' ' TYR 0.393 51.9 Cg_exo 10.25 113.21 0.0 OUTLIER 'Trans proline' 0 CA--C 1.563 1.971 1 C-N-CA 127.249 5.299 . . . . 0.0 119.74 -178.865 . . . . . . . . 4 3 . 1 . 002 nuclear nobuild core ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo -40.31 158.47 0.04 OUTLIER 'Trans proline' 0 C--N 1.38 2.198 1 C-N-CA 125.381 4.054 . . . . 0.0 119.272 -177.319 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_endo -73.19 112.53 3.55 Favored 'Trans proline' 0 C--N 1.359 1.131 0 N-CA-C 105.213 -2.649 . . . . 0.0 105.213 175.63 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . 0.408 HG23 ' H ' ' B' ' 5' ' ' VAL . 2.4 t -57.94 135.8 83.66 Favored Pre-proline 0 CA--C 1.546 0.822 0 CA-C-N 111.322 -2.672 . . . . 0.0 109.547 -177.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 6' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' B' ' 5' ' ' VAL . 32.3 Cg_exo -56.87 160.86 11.4 Favored 'Trans proline' 0 C--N 1.362 1.254 0 N-CA-C 115.371 1.258 . . . . 0.0 115.371 -178.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -77.23 115.93 4.06 Favored 'Trans proline' 0 C--N 1.358 1.073 0 N-CA-C 108.204 -1.499 . . . . 0.0 108.204 176.585 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.35 0.618 0 CA-C-O 123.729 1.728 . . . . 0.0 106.904 178.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 51.5 ttm . . . . . 0 N--CA 1.448 -0.549 0 N-CA-C 106.095 -1.817 . . . . 0.0 106.095 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -81.02 120.66 25.08 Favored 'General case' 0 C--N 1.356 0.856 0 CA-C-N 112.711 -2.041 . . . . 0.0 107.137 179.513 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.656 ' HB1' HD12 ' A' ' 53' ' ' ILE . . . -103.13 142.33 34.32 Favored 'General case' 0 CA--C 1.535 0.404 0 CA-C-N 111.434 -2.621 . . . . 0.0 108.596 -178.552 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 87.4 mt -137.85 116.24 13.66 Favored 'Isoleucine or valine' 0 C--N 1.348 0.543 0 CA-C-N 113.248 -1.796 . . . . 0.0 109.379 -176.399 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -67.28 123.02 19.18 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 113.559 -1.655 . . . . 0.0 109.586 178.214 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 35.3 mtmt -88.04 -23.43 23.77 Favored 'General case' 0 C--N 1.343 0.32 0 CA-C-N 113.678 -1.601 . . . . 0.0 110.798 179.003 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.431 ' CG ' ' HB3' ' B' ' 2' ' ' PRO . 97.1 m-85 -139.98 168.82 18.93 Favored 'General case' 0 C--N 1.348 0.529 0 CA-C-N 113.22 -1.809 . . . . 0.0 111.576 -178.575 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -85.18 129.38 34.81 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 109.906 -3.315 . . . . 0.0 107.778 179.547 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 16.5 t80 -139.05 150.96 46.36 Favored 'General case' 0 C--N 1.348 0.537 0 CA-C-N 112.098 -2.319 . . . . 0.0 112.599 -177.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.506 ' H ' ' HD3' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -136.34 115.72 12.68 Favored 'General case' 0 CA--C 1.544 0.719 0 CA-C-N 108.571 -3.922 . . . . 0.0 107.417 178.492 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -50.31 163.28 0.17 Allowed 'General case' 0 N--CA 1.477 0.896 0 CA-C-N 113.591 -1.641 . . . . 0.0 114.293 -179.771 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.0 p -108.25 -17.08 14.1 Favored 'General case' 0 C--N 1.35 0.613 0 CA-C-N 110.465 -3.061 . . . . 0.0 112.112 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -152.42 176.4 11.69 Favored 'General case' 0 C--N 1.348 0.532 0 CA-C-N 113.321 -1.763 . . . . 0.0 111.301 -178.638 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -71.43 -24.3 62.01 Favored 'General case' 0 CA--C 1.55 0.965 0 CA-C-N 110.78 -2.918 . . . . 0.0 112.43 -179.11 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -80.28 -21.94 42.14 Favored 'General case' 0 CA--C 1.547 0.84 0 CA-C-N 114.385 -1.279 . . . . 0.0 111.545 179.026 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -99.76 157.19 16.67 Favored 'General case' 0 C--N 1.349 0.577 0 CA-C-N 113.145 -1.843 . . . . 0.0 108.464 179.24 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . 0.29 3.7 pp -137.73 161.42 36.57 Favored 'General case' 0 C--N 1.351 0.669 0 CA-C-O 124.155 1.931 . . . . 0.0 111.976 177.863 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 31.1 m -86.85 150.73 23.91 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-N 109.013 -3.721 . . . . 0.0 113.37 -176.367 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 43.6 p90 -160.42 142.92 13.08 Favored 'General case' 0 C--O 1.217 -0.654 0 CA-C-N 109.564 -3.471 . . . . 0.0 106.134 178.415 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -106.3 153.39 22.25 Favored 'General case' 0 C--O 1.222 -0.384 0 N-CA-C 104.842 -2.281 . . . . 0.0 104.842 179.349 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 34.1 ttp85 -47.39 111.44 0.41 Allowed 'General case' 0 CA--C 1.547 0.864 0 O-C-N 124.776 1.298 . . . . 0.0 112.151 178.473 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 114.38 -3.85 23.5 Favored Glycine 0 C--N 1.346 1.132 0 CA-C-N 112.486 -2.143 . . . . 0.0 114.198 179.393 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -75.63 145.03 41.39 Favored 'General case' 0 C--N 1.369 1.414 0 C-N-CA 115.802 -2.359 . . . . 0.0 108.833 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -97.65 125.65 50.76 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.127 0 CA-C-N 112.342 -2.208 . . . . 0.0 107.151 178.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.62 ' HB2' ' HB3' ' A' ' 3' ' ' ALA . 0.4 OUTLIER -104.32 176.31 5.2 Favored 'General case' 0 C--N 1.352 0.68 0 CA-C-N 113.062 -1.881 . . . . 0.0 109.225 -179.287 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 48.9 tptt -130.0 109.08 10.59 Favored 'General case' 0 C--O 1.215 -0.749 0 CA-C-N 109.503 -3.499 . . . . 0.0 108.817 -178.509 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 31.3 t -88.2 116.15 29.61 Favored 'Isoleucine or valine' 0 C--N 1.344 0.333 0 C-N-CA 117.967 -1.493 . . . . 0.0 109.613 -175.591 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 49.8 tp -93.41 -54.12 3.8 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 110.235 -3.166 . . . . 0.0 110.432 -179.654 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 74.8 m-20 . . . . . 0 C--N 1.355 0.844 0 CA-C-N 113.76 -1.564 . . . . 0.0 111.679 -178.483 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 7.0 m120 . . . . . 0 CA--C 1.545 0.786 0 N-CA-C 108.79 -0.818 . . . . 0.0 108.79 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 68.1 m95 -133.12 161.77 33.53 Favored 'General case' 0 C--N 1.361 1.079 0 CA-C-O 122.306 1.05 . . . . 0.0 109.3 -179.295 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 -132.38 146.6 52.08 Favored 'General case' 0 C--N 1.348 0.509 0 CA-C-N 112.169 -2.287 . . . . 0.0 108.048 178.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 82.6 tttt -104.51 110.68 23.06 Favored 'General case' 0 C--N 1.35 0.627 0 N-CA-C 105.438 -2.06 . . . . 0.0 105.438 176.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -134.6 -176.45 4.23 Favored 'General case' 0 C--N 1.359 0.989 0 O-C-N 124.636 1.21 . . . . 0.0 109.921 -178.356 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 9.8 tm-20 -134.29 146.22 49.8 Favored 'General case' 0 C--N 1.363 1.153 0 CA-C-O 123.043 1.401 . . . . 0.0 112.859 -177.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.618 HD11 ' CD1' ' A' ' 25' ' ' LEU 0.351 10.6 mt -160.95 143.21 12.44 Favored 'General case' 0 C--N 1.35 0.601 0 CA-C-N 110.365 -3.107 . . . . 0.0 113.103 179.123 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 57.09 29.91 17.36 Favored 'General case' 0 CA--C 1.545 0.78 0 CA-C-N 110.969 -2.832 . . . . 0.0 115.252 171.09 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 80.56 8.96 87.0 Favored Glycine 0 C--N 1.351 1.402 0 CA-C-N 114.182 -1.372 . . . . 0.0 113.851 -179.589 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.86 135.43 39.76 Favored 'General case' 0 C--N 1.351 0.66 0 CA-C-O 121.923 0.868 . . . . 0.0 109.738 -178.627 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -97.71 144.51 27.27 Favored 'General case' 0 CA--C 1.546 0.808 0 N-CA-C 105.533 -2.025 . . . . 0.0 105.533 177.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -173.09 170.41 43.56 Favored Glycine 0 C--N 1.346 1.084 0 CA-C-N 114.174 -1.375 . . . . 0.0 112.204 -178.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -80.67 142.61 33.77 Favored 'General case' 0 C--N 1.348 0.503 0 CA-C-N 112.374 -1.913 . . . . 0.0 111.213 179.713 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 28.2 pt -138.9 142.61 34.25 Favored Pre-proline 0 CA--C 1.546 0.807 0 CA-C-N 111.114 -2.766 . . . . 0.0 106.202 179.35 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 0.9 OUTLIER -71.91 145.14 44.73 Favored 'Trans proline' 0 C--N 1.362 1.284 0 C-N-CA 121.329 1.352 . . . . 0.0 112.283 179.557 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 64.6 mttt -71.32 -24.21 62.08 Favored 'General case' 0 C--N 1.355 0.829 0 C-N-CA 118.038 -1.465 . . . . 0.0 112.538 -179.73 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.47 HD22 ' HB2' ' B' ' 3' ' ' PRO . 9.2 p-10 -76.96 -16.74 59.26 Favored 'General case' 0 CA--C 1.544 0.717 0 CA-C-N 113.969 -1.469 . . . . 0.0 113.049 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -93.7 -5.61 48.12 Favored 'General case' 0 CA--C 1.554 1.111 0 C-N-CA 118.812 -1.155 . . . . 0.0 113.304 178.687 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.656 HD12 ' HB1' ' A' ' 3' ' ' ALA . 0.1 OUTLIER -130.27 162.94 37.17 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.096 0 CA-C-O 123.26 1.505 . . . . 0.0 111.311 179.185 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 . . . . . 0 CA--C 1.544 0.736 0 CA-C-N 110.261 -3.154 . . . . 0.0 106.496 176.473 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 7.2 p . . . . . 0 CA--C 1.546 0.795 0 N-CA-C 107.535 -1.283 . . . . 0.0 107.535 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 2' ' ' PRO . . . . . 0.431 ' HB3' ' CG ' ' A' ' 7' ' ' TYR . 1.0 OUTLIER -71.02 164.56 35.32 Favored 'Trans proline' 0 CA--C 1.552 1.388 0 N-CA-C 114.885 1.071 . . . . 0.0 114.885 -178.428 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 3' ' ' PRO . . . . . 0.47 ' HB2' HD22 ' A' ' 51' ' ' ASN . 71.1 Cg_exo -42.0 155.7 0.09 OUTLIER 'Trans proline' 0 C--N 1.369 1.641 1 C-N-CA 125.325 4.017 . . . . 0.0 118.143 179.556 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -76.5 121.19 5.89 Favored 'Trans proline' 0 C--N 1.364 1.386 0 N-CA-C 105.72 -2.454 . . . . 0.0 105.72 176.062 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . 0.415 ' HA ' ' HD3' ' B' ' 6' ' ' PRO . 1.8 t -68.18 135.89 91.47 Favored Pre-proline 0 N--CA 1.44 -0.969 0 CA-C-N 111.267 -2.697 . . . . 0.0 110.793 -177.211 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 6' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' B' ' 5' ' ' VAL . 24.1 Cg_exo -60.85 160.65 24.46 Favored 'Trans proline' 0 C--N 1.36 1.15 0 C-N-CA 121.322 1.348 . . . . 0.0 114.751 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -83.12 110.71 1.81 Allowed 'Trans proline' 0 CA--C 1.547 1.157 0 C-N-CA 120.926 1.084 . . . . 0.0 109.847 176.616 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.349 0.578 0 N-CA-C 107.05 -1.463 . . . . 0.0 107.05 178.389 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.7 ptt? . . . . . 0 C--O 1.226 -0.161 0 CA-C-O 122.006 0.908 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -97.18 128.22 43.87 Favored 'General case' 0 C--N 1.352 0.696 0 CA-C-N 112.104 -2.316 . . . . 0.0 108.241 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.819 ' HB3' ' HB2' ' A' ' 25' ' ' LEU . . . -109.01 142.56 39.5 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 111.124 -2.762 . . . . 0.0 105.795 179.105 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 74.6 mt -140.26 122.17 15.56 Favored 'Isoleucine or valine' 0 C--N 1.35 0.619 0 CA-C-N 115.387 -0.824 . . . . 0.0 109.502 -177.637 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.401 ' HB3' ' H ' ' A' ' 22' ' ' GLY . . . -66.43 128.23 35.39 Favored 'General case' 0 CA--C 1.555 1.138 0 CA-C-O 122.481 1.134 . . . . 0.0 110.546 178.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.4 mmpt? -87.98 -32.5 18.82 Favored 'General case' 0 C--N 1.344 0.34 0 CA-C-N 112.667 -2.061 . . . . 0.0 111.06 179.749 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 -140.43 174.02 10.92 Favored 'General case' 0 C--N 1.344 0.363 0 O-C-N 126.014 2.072 . . . . 0.0 109.801 -178.767 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 57.1 t0 -87.97 135.1 33.56 Favored 'General case' 0 C--N 1.353 0.728 0 CA-C-N 112.173 -2.285 . . . . 0.0 106.452 179.133 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 28.5 t80 -140.49 149.68 42.81 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 110.883 -2.871 . . . . 0.0 111.286 -178.612 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 47.7 mmtm -133.88 123.31 24.5 Favored 'General case' 0 N--CA 1.455 -0.213 0 CA-C-N 110.75 -2.932 . . . . 0.0 108.076 177.119 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -52.14 155.66 1.86 Allowed 'General case' 0 N--CA 1.475 0.778 0 CA-C-N 112.56 -2.109 . . . . 0.0 113.515 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -120.44 2.79 10.78 Favored 'General case' 0 CA--C 1.548 0.866 0 CA-C-N 111.868 -2.424 . . . . 0.0 110.289 178.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -152.23 162.84 40.54 Favored 'General case' 0 C--N 1.35 0.611 0 CA-C-O 123.581 1.658 . . . . 0.0 110.033 -179.387 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -68.67 -23.36 64.39 Favored 'General case' 0 CA--C 1.55 0.954 0 CA-C-N 109.814 -3.357 . . . . 0.0 111.982 179.679 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -87.69 -18.73 28.88 Favored 'General case' 0 CA--C 1.545 0.783 0 CA-C-N 114.092 -1.413 . . . . 0.0 112.108 179.717 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -101.21 156.53 17.38 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 112.806 -1.997 . . . . 0.0 108.704 179.504 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . 0.345 4.3 pp -138.1 160.89 38.2 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 113.287 -1.779 . . . . 0.0 110.507 177.351 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . 0.259 47.1 m -85.43 157.4 20.49 Favored 'General case' 0 N--CA 1.445 -0.676 0 CA-C-N 109.72 -3.4 . . . . 0.0 112.128 -176.221 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 38.2 p90 -160.16 149.43 17.57 Favored 'General case' 0 C--O 1.222 -0.366 0 CA-C-N 109.705 -3.407 . . . . 0.0 106.92 177.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 14.2 mttt -106.74 143.77 34.37 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 111.706 -2.497 . . . . 0.0 106.324 -179.613 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.9 100.89 0.02 OUTLIER 'General case' 0 CA--C 1.551 1.002 0 O-C-N 125.072 1.483 . . . . 0.0 112.157 178.049 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.401 ' H ' ' HB3' ' A' ' 5' ' ' ALA . . . 119.85 3.83 11.96 Favored Glycine 0 C--N 1.352 1.451 0 CA-C-N 113.429 -1.714 . . . . 0.0 115.121 179.271 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 50.5 m-20 -74.64 151.5 39.31 Favored 'General case' 0 C--N 1.364 1.22 0 C-N-CA 116.903 -1.919 . . . . 0.0 108.623 179.387 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 4.2 pt -100.38 120.07 49.34 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.672 0 CA-C-N 112.448 -2.16 . . . . 0.0 106.959 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.819 ' HB2' ' HB3' ' A' ' 3' ' ' ALA 0.304 0.8 OUTLIER -104.45 161.43 14.1 Favored 'General case' 0 N--CA 1.446 -0.641 0 CA-C-N 111.98 -2.373 . . . . 0.0 112.386 -178.368 . . . . . . . . 4 4 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.426 ' HB3' ' HB3' ' A' ' 40' ' ' GLU . 26.7 tptp -110.9 125.66 53.89 Favored 'General case' 0 C--O 1.213 -0.84 1 CA-C-N 108.174 -4.103 . . . . 0.0 104.523 176.394 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.549 ' CG2' ' HB2' ' A' ' 3' ' ' ALA . 87.0 t -91.8 123.08 43.79 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.581 0 C-N-CA 116.296 -2.162 . . . . 0.0 106.482 -179.741 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 61.4 tp -93.52 -69.55 0.74 Allowed 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 113.341 -1.754 . . . . 0.0 111.222 -178.556 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 14.0 t30 . . . . . 0 C--N 1.354 0.772 0 CA-C-N 113.129 -1.85 . . . . 0.0 109.193 -179.327 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 28.8 m120 . . . . . 0 CA--C 1.546 0.823 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 77.8 m95 -136.21 145.43 45.68 Favored 'General case' 0 C--N 1.362 1.122 0 O-C-N 124.134 0.896 . . . . 0.0 110.146 -178.732 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 19.8 m-85 -129.93 147.19 51.67 Favored 'General case' 0 C--N 1.351 0.648 0 CA-C-N 112.944 -1.934 . . . . 0.0 108.239 179.027 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 82.4 tttt -101.43 120.94 41.05 Favored 'General case' 0 C--N 1.349 0.553 0 N-CA-C 106.063 -1.828 . . . . 0.0 106.063 177.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -133.83 165.85 24.03 Favored 'General case' 0 C--N 1.356 0.851 0 O-C-N 124.199 0.937 . . . . 0.0 111.155 -178.066 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.426 ' HB3' ' HB3' ' A' ' 26' ' ' LYS . 15.1 tt0 -105.32 134.74 47.93 Favored 'General case' 0 C--N 1.367 1.35 0 O-C-N 124.781 1.301 . . . . 0.0 111.174 -178.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.564 HD11 HD11 ' A' ' 25' ' ' LEU 0.312 9.5 mt -162.12 142.03 9.93 Favored 'General case' 0 C--N 1.354 0.769 0 CA-C-N 111.028 -2.805 . . . . 0.0 113.149 178.333 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 54.57 42.32 31.37 Favored 'General case' 0 C--N 1.35 0.594 0 CA-C-N 110.334 -3.121 . . . . 0.0 114.542 170.751 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 68.4 14.01 66.08 Favored Glycine 0 CA--C 1.537 1.451 0 CA-C-N 113.177 -1.829 . . . . 0.0 114.322 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 10.7 mtmp? -134.98 178.36 7.08 Favored 'General case' 0 C--N 1.354 0.783 0 CA-C-O 121.928 0.871 . . . . 0.0 108.733 -179.48 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -142.18 138.1 31.29 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-N 112.597 -2.092 . . . . 0.0 107.36 179.195 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -170.84 173.48 44.58 Favored Glycine 0 C--N 1.348 1.198 0 C-N-CA 118.123 -1.989 . . . . 0.0 111.949 -178.415 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -79.6 141.9 36.14 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 112.204 -1.998 . . . . 0.0 111.907 -178.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 40.0 pt -137.96 137.61 21.68 Favored Pre-proline 0 CA--C 1.544 0.717 0 CA-C-N 111.781 -2.463 . . . . 0.0 106.925 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 1.7 Cg_endo -67.85 137.61 42.12 Favored 'Trans proline' 0 C--N 1.366 1.459 0 C-N-CA 121.068 1.179 . . . . 0.0 111.808 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 15.6 ptpt -71.56 -18.87 62.22 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 116.214 -2.194 . . . . 0.0 113.577 -179.3 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . 0.299 0.6 OUTLIER -80.96 -12.72 59.34 Favored 'General case' 0 C--N 1.36 1.055 0 C-N-CA 118.787 -1.165 . . . . 0.0 111.573 178.424 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.532 ' CE1' HG22 ' B' ' 5' ' ' VAL . 9.5 m-85 -93.16 4.52 53.85 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 119.533 -0.867 . . . . 0.0 112.181 176.438 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.713 ' CD1' ' HB1' ' A' ' 3' ' ' ALA . 0.1 OUTLIER -135.03 165.91 29.73 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.208 0 CA-C-O 122.623 1.201 . . . . 0.0 111.422 178.385 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 . . . . . 0 C--N 1.352 0.713 0 C-N-CA 128.464 2.706 . . . . 0.0 106.368 177.426 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 59.2 t . . . . . 0 CA--C 1.546 0.817 0 N-CA-C 107.855 -1.165 . . . . 0.0 107.855 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 22.6 Cg_exo -61.1 162.86 18.25 Favored 'Trans proline' 0 CA--C 1.558 1.693 0 C-N-CA 121.344 1.362 . . . . 0.0 113.99 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -45.15 157.77 0.22 Allowed 'Trans proline' 0 C--N 1.365 1.408 0 C-N-CA 125.04 3.827 . . . . 0.0 118.119 178.783 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -78.51 120.69 4.9 Favored 'Trans proline' 0 C--N 1.366 1.465 0 N-CA-C 105.93 -2.373 . . . . 0.0 105.93 175.237 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . 0.532 HG22 ' CE1' ' A' ' 52' ' ' TYR . 2.3 t -65.7 139.09 96.88 Favored Pre-proline 0 CA--C 1.546 0.801 0 CA-C-N 111.683 -2.508 . . . . 0.0 110.848 -177.311 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 26.0 Cg_exo -60.99 159.93 27.76 Favored 'Trans proline' 0 C--N 1.362 1.275 0 O-C-N 123.216 1.114 . . . . 0.0 112.421 178.195 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -76.39 110.52 3.08 Favored 'Trans proline' 0 CA--C 1.542 0.891 0 N-CA-C 107.777 -1.663 . . . . 0.0 107.777 176.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 3.4 tmt_? . . . . . 0 C--N 1.35 0.625 0 CA-C-N 114.079 -1.419 . . . . 0.0 108.529 -179.506 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.6 tpt . . . . . 0 N--CA 1.446 -0.644 0 N-CA-C 106.238 -1.764 . . . . 0.0 106.238 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -76.92 151.29 35.81 Favored 'General case' 0 C--N 1.355 0.818 0 N-CA-C 105.995 -1.854 . . . . 0.0 105.995 178.351 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.524 ' HB1' ' CD1' ' A' ' 53' ' ' ILE . . . -141.78 133.76 27.46 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-N 112.723 -2.035 . . . . 0.0 106.67 179.571 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 61.4 mt -142.07 122.8 11.72 Favored 'Isoleucine or valine' 0 C--N 1.351 0.648 0 CA-C-O 121.915 0.864 . . . . 0.0 109.987 -176.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -67.34 121.63 16.14 Favored 'General case' 0 CA--C 1.551 1.007 0 CA-C-N 112.995 -1.911 . . . . 0.0 111.591 178.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 35.1 mtmt -88.33 -22.28 23.93 Favored 'General case' 0 C--N 1.346 0.451 0 CA-C-N 113.404 -1.725 . . . . 0.0 110.185 178.189 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -138.61 168.91 18.76 Favored 'General case' 0 C--N 1.347 0.484 0 CA-C-N 112.807 -1.997 . . . . 0.0 109.491 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -92.81 126.75 38.04 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 111.072 -2.786 . . . . 0.0 106.333 178.751 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 35.6 t80 -140.25 154.37 46.84 Favored 'General case' 0 C--N 1.344 0.342 0 CA-C-N 112.515 -2.13 . . . . 0.0 111.13 -178.53 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 32.9 mmtp -132.91 128.69 37.1 Favored 'General case' 0 C--O 1.224 -0.265 0 CA-C-N 110.559 -3.018 . . . . 0.0 107.51 177.535 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -51.89 156.66 1.43 Allowed 'General case' 0 C--N 1.354 0.761 0 O-C-N 125.672 1.857 . . . . 0.0 113.329 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 26.9 p -109.14 -12.15 14.84 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 109.676 -3.42 . . . . 0.0 111.527 179.586 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -151.16 167.07 28.89 Favored 'General case' 0 C--N 1.349 0.582 0 CA-C-N 112.95 -1.932 . . . . 0.0 111.465 -177.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -67.83 -22.45 65.15 Favored 'General case' 0 CA--C 1.554 1.098 0 CA-C-N 109.727 -3.397 . . . . 0.0 112.832 -179.652 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -89.6 -16.58 30.25 Favored 'General case' 0 C--N 1.357 0.929 0 CA-C-N 115.113 -0.949 . . . . 0.0 111.428 179.377 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -100.57 157.41 16.68 Favored 'General case' 0 C--N 1.349 0.573 0 CA-C-N 113.074 -1.875 . . . . 0.0 108.355 179.347 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.431 HD23 ' C ' ' A' ' 45' ' ' ASP 0.278 4.1 pp -135.71 157.99 45.51 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 112.977 -1.92 . . . . 0.0 110.675 177.42 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 51.0 m -85.86 162.24 18.71 Favored 'General case' 0 N--CA 1.445 -0.689 0 CA-C-N 109.486 -3.506 . . . . 0.0 111.979 -176.742 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.431 ' HB3' ' CD1' ' A' ' 41' ' ' LEU . 29.7 p90 -160.06 153.89 22.87 Favored 'General case' 0 C--N 1.345 0.408 0 CA-C-N 110.159 -3.2 . . . . 0.0 107.986 177.552 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 32.4 mttt -107.86 139.01 43.09 Favored 'General case' 0 N--CA 1.446 -0.629 0 CA-C-N 111.462 -2.608 . . . . 0.0 105.666 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 4.6 tmt_? -46.18 101.3 0.02 OUTLIER 'General case' 0 CA--C 1.554 1.122 0 O-C-N 124.862 1.351 . . . . 0.0 111.941 177.749 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 115.7 12.72 9.23 Favored Glycine 0 C--N 1.352 1.466 0 CA-C-N 113.458 -1.701 . . . . 0.0 115.137 179.31 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 56.6 m-20 -73.02 161.09 31.09 Favored 'General case' 0 C--N 1.363 1.183 0 C-N-CA 117.742 -1.583 . . . . 0.0 109.7 179.042 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 88.8 mt -103.04 109.17 26.07 Favored 'Isoleucine or valine' 0 C--N 1.351 0.645 0 N-CA-C 104.565 -2.383 . . . . 0.0 104.565 177.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.476 ' HB2' ' HB3' ' A' ' 3' ' ' ALA . 3.9 mp -106.94 164.81 11.82 Favored 'General case' 0 C--N 1.348 0.53 0 CA-C-N 112.894 -1.957 . . . . 0.0 109.373 -177.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 28.6 mtpt -133.19 105.81 7.22 Favored 'General case' 0 C--O 1.218 -0.556 0 CA-C-N 110.8 -2.909 . . . . 0.0 110.815 178.713 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.475 HG23 ' HB2' ' A' ' 3' ' ' ALA . 14.9 t -88.46 108.79 19.15 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.628 0 N-CA-C 104.804 -2.295 . . . . 0.0 104.804 -179.083 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 67.7 tp -90.26 -33.91 15.96 Favored 'General case' 0 N--CA 1.446 -0.625 1 CA-C-N 108.055 -4.157 . . . . 0.0 109.611 -177.393 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 5.6 p30 . . . . . 0 C--N 1.348 0.526 0 CA-C-N 113.094 -1.866 . . . . 0.0 109.383 179.77 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 9.1 m120 . . . . . 0 N--CA 1.444 -0.767 0 CA-C-O 118.981 -0.533 . . . . 0.0 109.862 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 56.8 m95 -138.32 137.24 37.2 Favored 'General case' 0 C--N 1.362 1.137 0 O-C-N 123.854 0.722 . . . . 0.0 110.119 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -112.82 148.54 34.64 Favored 'General case' 0 C--N 1.349 0.554 0 CA-C-N 114.327 -1.306 . . . . 0.0 108.559 178.544 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 76.6 tttt -102.03 93.53 5.3 Favored 'General case' 0 CA--C 1.538 0.498 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 177.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.422 ' HB2' HG22 ' A' ' 27' ' ' VAL . . . -105.31 -174.21 2.48 Favored 'General case' 0 C--N 1.356 0.867 0 CA-C-N 112.894 -1.957 . . . . 0.0 111.915 -177.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 6.7 tm-20 -130.08 134.54 47.43 Favored 'General case' 0 C--N 1.36 1.046 0 CA-C-N 114.081 -1.418 . . . . 0.0 109.922 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.431 ' CD1' ' HB3' ' A' ' 19' ' ' PHE 0.301 12.4 mt -161.06 141.83 11.38 Favored 'General case' 0 CA--C 1.508 -0.64 0 CA-C-N 111.789 -2.46 . . . . 0.0 112.515 177.549 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 54.24 38.53 29.48 Favored 'General case' 0 CA--C 1.546 0.791 0 CA-C-N 109.336 -3.575 . . . . 0.0 114.618 171.102 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 72.77 19.1 79.16 Favored Glycine 0 CA--C 1.538 1.498 0 CA-C-N 113.06 -1.882 . . . . 0.0 113.816 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 65.4 mttp -134.8 171.14 14.8 Favored 'General case' 0 C--N 1.354 0.761 0 N-CA-C 107.868 -1.16 . . . . 0.0 107.868 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.431 ' C ' HD23 ' A' ' 17' ' ' LEU . 4.4 p30 -140.91 139.5 34.36 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 113.172 -1.831 . . . . 0.0 106.651 179.231 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -177.83 177.23 48.33 Favored Glycine 0 C--N 1.346 1.124 0 C-N-CA 117.007 -2.521 . . . . 0.0 111.993 -177.331 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -79.85 139.63 37.1 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 111.691 -2.254 . . . . 0.0 110.237 -179.619 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -139.66 141.03 26.68 Favored Pre-proline 0 CA--C 1.54 0.59 0 CA-C-N 112.146 -2.297 . . . . 0.0 107.165 -179.69 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 11.4 Cg_endo -71.8 133.27 21.56 Favored 'Trans proline' 0 C--N 1.363 1.29 0 C-N-CA 121.715 1.61 . . . . 0.0 112.915 -179.173 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 17.5 pttp -72.49 -15.57 61.8 Favored 'General case' 0 CA--C 1.551 1.007 0 C-N-CA 116.603 -2.039 . . . . 0.0 113.91 -179.343 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . 0.311 0.6 OUTLIER -81.57 -8.83 59.77 Favored 'General case' 0 C--N 1.363 1.156 0 C-N-CA 117.726 -1.59 . . . . 0.0 111.74 177.814 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.476 ' CE1' HG22 ' B' ' 5' ' ' VAL . 10.2 m-85 -94.82 -9.5 34.25 Favored 'General case' 0 C--N 1.353 0.753 0 C-N-CA 119.628 -0.829 . . . . 0.0 111.754 177.498 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.524 ' CD1' ' HB1' ' A' ' 3' ' ' ALA . 0.1 OUTLIER -131.45 161.21 41.57 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.218 0 CA-C-O 123.05 1.405 . . . . 0.0 112.849 -179.366 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 62.6 tt0 . . . . . 0 CA--C 1.547 0.832 0 CA-C-N 111.059 -2.792 . . . . 0.0 103.932 174.933 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 7.5 p . . . . . 0 CA--C 1.551 0.993 0 N-CA-C 108.144 -1.058 . . . . 0.0 108.144 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 2' ' ' PRO . . . . . 0.482 ' HA ' ' HD3' ' B' ' 3' ' ' PRO 0.279 52.3 Cg_exo -48.37 129.21 18.98 Favored 'Trans proline' 0 CA--C 1.579 2.754 0 N-CA-C 115.956 1.483 . . . . 0.0 115.956 -179.043 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 3' ' ' PRO . . . . . 0.482 ' HD3' ' HA ' ' B' ' 2' ' ' PRO . 69.7 Cg_exo -43.1 162.14 0.05 OUTLIER 'Trans proline' 0 C--N 1.381 2.265 1 C-N-CA 126.708 4.939 . . . . 0.0 119.96 -177.297 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_endo -74.98 111.6 3.37 Favored 'Trans proline' 0 C--N 1.358 1.067 0 N-CA-C 106.728 -2.066 . . . . 0.0 106.728 175.424 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . 0.476 HG22 ' CE1' ' A' ' 52' ' ' TYR . 2.1 t -62.43 137.75 96.25 Favored Pre-proline 0 CA--C 1.552 1.048 0 CA-C-N 111.408 -2.633 . . . . 0.0 109.808 -178.365 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_exo -60.29 162.71 16.45 Favored 'Trans proline' 0 C--N 1.365 1.437 0 C-N-CA 121.109 1.206 . . . . 0.0 114.978 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_endo -83.84 111.74 1.73 Allowed 'Trans proline' 0 CA--C 1.55 1.289 0 N-CA-C 108.861 -1.246 . . . . 0.0 108.861 176.102 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.351 0.636 0 N-CA-C 107.13 -1.433 . . . . 0.0 107.13 178.289 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.6 ttt . . . . . 0 N--CA 1.445 -0.72 0 N-CA-C 104.582 -2.377 . . . . 0.0 104.582 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -70.6 111.94 6.48 Favored 'General case' 0 C--N 1.357 0.911 0 CA-C-O 123.772 1.748 . . . . 0.0 109.003 -178.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.697 ' HB1' HD12 ' A' ' 53' ' ' ILE . . . -100.41 141.95 32.56 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 110.29 -3.141 . . . . 0.0 106.623 -179.315 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 89.8 mt -136.93 109.77 7.83 Favored 'Isoleucine or valine' 0 C--N 1.345 0.399 0 CA-C-N 113.23 -1.804 . . . . 0.0 109.301 -176.386 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -66.82 122.21 17.19 Favored 'General case' 0 CA--C 1.542 0.661 0 CA-C-N 113.298 -1.774 . . . . 0.0 107.626 177.248 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 30.1 mtmt -87.16 -40.45 14.6 Favored 'General case' 0 C--O 1.222 -0.344 0 CA-C-N 114.547 -1.206 . . . . 0.0 110.241 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -107.48 168.05 9.51 Favored 'General case' 0 C--N 1.345 0.378 0 CA-C-N 112.486 -2.143 . . . . 0.0 109.79 -178.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 11.3 p-10 -96.19 128.26 42.94 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 110.554 -3.021 . . . . 0.0 105.392 178.564 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 21.0 t80 -138.74 150.47 46.17 Favored 'General case' 0 N--CA 1.446 -0.627 0 CA-C-N 112.926 -1.943 . . . . 0.0 109.267 -178.641 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 35.8 tptt -129.34 118.75 22.75 Favored 'General case' 0 N--CA 1.439 -0.987 0 CA-C-N 110.634 -2.985 . . . . 0.0 107.844 179.229 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -52.52 150.75 4.69 Favored 'General case' 0 C--N 1.356 0.854 0 CA-C-O 122.713 1.244 . . . . 0.0 113.439 178.714 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -119.4 7.92 11.29 Favored 'General case' 0 CA--C 1.545 0.761 0 CA-C-N 111.111 -2.768 . . . . 0.0 110.275 179.095 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -152.3 160.55 43.32 Favored 'General case' 0 C--N 1.354 0.782 0 CA-C-N 114.226 -1.352 . . . . 0.0 109.297 -179.441 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -68.94 -21.2 64.21 Favored 'General case' 0 CA--C 1.551 0.993 0 CA-C-N 112.033 -2.349 . . . . 0.0 113.649 -178.321 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -89.04 -18.37 27.46 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 113.648 -1.615 . . . . 0.0 112.345 -179.573 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -99.83 157.02 16.8 Favored 'General case' 0 CA--C 1.541 0.617 0 CA-C-N 113.208 -1.815 . . . . 0.0 109.643 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . 0.318 3.4 pp -137.19 158.08 45.24 Favored 'General case' 0 N--CA 1.475 0.778 0 CA-C-N 112.532 -2.122 . . . . 0.0 110.766 176.544 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 32.1 m -86.2 161.94 18.57 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 109.585 -3.461 . . . . 0.0 112.668 -175.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 23.9 p90 -160.85 164.08 31.59 Favored 'General case' 0 CA--C 1.543 0.692 0 CA-C-N 111.1 -2.773 . . . . 0.0 108.457 178.035 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 26.6 pttt -134.48 103.08 5.55 Favored 'General case' 0 C--N 1.353 0.734 0 CA-C-N 114.105 -1.407 . . . . 0.0 112.125 -178.218 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 3.78 54.95 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 130.575 3.55 . . . . 0.0 118.407 178.697 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 161.81 -0.31 0.06 OUTLIER Glycine 0 CA--C 1.526 0.733 0 CA-C-N 111.736 -2.483 . . . . 0.0 113.876 179.704 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 -75.38 146.01 41.17 Favored 'General case' 0 C--N 1.358 0.958 0 C-N-CA 116.445 -2.102 . . . . 0.0 108.625 179.278 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 90.1 mt -99.8 127.04 53.06 Favored 'Isoleucine or valine' 0 C--N 1.343 0.323 0 N-CA-C 105.307 -2.109 . . . . 0.0 105.307 179.086 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.653 ' HB2' ' HB3' ' A' ' 3' ' ' ALA . 0.8 OUTLIER -102.74 176.64 5.1 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 112.942 -1.935 . . . . 0.0 109.186 -178.733 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 13.0 ttpt -128.35 107.81 10.06 Favored 'General case' 0 C--O 1.218 -0.597 0 CA-C-N 109.774 -3.375 . . . . 0.0 108.562 -179.606 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.486 HG23 ' HB2' ' A' ' 3' ' ' ALA . 42.7 t -87.46 111.36 21.81 Favored 'Isoleucine or valine' 0 C--N 1.344 0.351 0 CA-C-O 123.791 1.758 . . . . 0.0 107.592 -176.71 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 55.3 tp -92.42 -40.75 10.69 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 108.969 -3.741 . . . . 0.0 111.34 -178.462 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 59.2 t30 . . . . . 0 C--N 1.358 0.949 0 C-N-CA 118.742 -1.183 . . . . 0.0 111.172 -179.013 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 47.0 m-20 . . . . . 0 N--CA 1.444 -0.735 0 CA-C-O 118.84 -0.6 . . . . 0.0 109.643 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 79.9 m95 -137.01 123.7 21.12 Favored 'General case' 0 C--N 1.36 1.054 0 CA-C-O 122.605 1.193 . . . . 0.0 111.376 -178.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 16.3 m-85 -106.08 147.82 28.49 Favored 'General case' 0 C--O 1.221 -0.413 0 CA-C-N 111.605 -2.543 . . . . 0.0 109.87 179.332 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 37.6 ttmt -102.31 102.12 12.45 Favored 'General case' 0 C--N 1.35 0.613 0 N-CA-C 106.475 -1.676 . . . . 0.0 106.475 177.752 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -116.83 -170.66 1.87 Allowed 'General case' 0 C--N 1.354 0.798 0 CA-C-N 113.658 -1.61 . . . . 0.0 110.123 -178.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -135.62 145.36 46.78 Favored 'General case' 0 C--N 1.357 0.912 0 CA-C-O 122.6 1.191 . . . . 0.0 113.171 -178.171 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.543 HD11 ' CD1' ' A' ' 25' ' ' LEU 0.306 8.4 mt -161.27 133.43 5.86 Favored 'General case' 0 C--N 1.349 0.581 0 CA-C-N 110.888 -2.869 . . . . 0.0 112.952 177.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 57.01 32.43 21.65 Favored 'General case' 0 CA--C 1.546 0.822 0 CA-C-N 112.357 -2.201 . . . . 0.0 114.768 170.851 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 73.74 18.02 79.4 Favored Glycine 0 CA--C 1.538 1.511 0 CA-C-N 113.745 -1.57 . . . . 0.0 113.732 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -134.8 128.24 32.4 Favored 'General case' 0 C--N 1.354 0.8 0 N-CA-C 107.779 -1.193 . . . . 0.0 107.779 179.587 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -99.85 147.67 25.26 Favored 'General case' 0 CA--C 1.547 0.853 0 CA-C-N 113.399 -1.728 . . . . 0.0 107.27 178.637 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -176.57 172.71 45.68 Favored Glycine 0 C--N 1.343 0.928 0 C-N-CA 118.539 -1.791 . . . . 0.0 112.968 -178.224 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 93.9 m-85 -79.91 137.18 36.83 Favored 'General case' 0 C--N 1.351 0.644 0 CA-C-N 112.132 -2.034 . . . . 0.0 110.89 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 44.6 pt -136.23 137.2 23.97 Favored Pre-proline 0 CA--C 1.544 0.714 0 CA-C-N 112.205 -2.271 . . . . 0.0 106.809 179.722 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 4.4 Cg_exo -69.2 144.89 58.58 Favored 'Trans proline' 0 C--N 1.365 1.414 0 C-N-CA 121.168 1.246 . . . . 0.0 113.179 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 44.8 mtmt -71.21 -32.12 68.44 Favored 'General case' 0 C--N 1.358 0.957 0 C-N-CA 116.6 -2.04 . . . . 0.0 112.218 179.451 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . 0.309 1.0 OUTLIER -72.32 -7.74 51.13 Favored 'General case' 0 C--N 1.358 0.963 0 C-N-CA 118.436 -1.306 . . . . 0.0 113.835 -179.606 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -94.98 -3.9 47.64 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 119.367 -0.933 . . . . 0.0 112.539 177.759 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.697 HD12 ' HB1' ' A' ' 3' ' ' ALA . 0.1 OUTLIER -128.88 168.02 22.99 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.898 0 CA-C-O 122.807 1.289 . . . . 0.0 109.919 179.656 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.411 ' N ' ' CG1' ' A' ' 53' ' ' ILE . 8.3 tp10 . . . . . 0 CA--C 1.54 0.571 0 CA-C-N 111.061 -2.79 . . . . 0.0 104.966 176.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 5.6 p . . . . . 0 CA--C 1.551 0.983 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 2' ' ' PRO . . . . . 0.406 ' HA ' ' HD3' ' B' ' 3' ' ' PRO 0.252 51.4 Cg_exo -48.9 125.75 13.62 Favored 'Trans proline' 0 CA--C 1.573 2.45 0 N-CA-C 115.535 1.321 . . . . 0.0 115.535 -179.352 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 3' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' B' ' 2' ' ' PRO . 85.2 Cg_exo -42.76 164.14 0.04 OUTLIER 'Trans proline' 0 C--N 1.379 2.167 1 C-N-CA 126.095 4.53 . . . . 0.0 119.454 -177.216 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_endo -76.47 112.15 3.4 Favored 'Trans proline' 0 C--N 1.36 1.144 0 N-CA-C 105.743 -2.445 . . . . 0.0 105.743 174.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 2.0 t -65.7 139.75 97.13 Favored Pre-proline 0 CA--C 1.547 0.858 0 CA-C-N 110.914 -2.857 . . . . 0.0 109.486 -178.443 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_exo -58.95 158.98 22.9 Favored 'Trans proline' 0 C--N 1.364 1.345 0 C-N-CA 120.651 0.9 . . . . 0.0 112.528 178.573 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_endo -75.28 112.37 3.53 Favored 'Trans proline' 0 CA--C 1.542 0.901 0 N-CA-C 108.763 -1.284 . . . . 0.0 108.763 177.28 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 58.5 ttp85 . . . . . 0 C--N 1.351 0.667 0 CA-C-N 114.268 -1.333 . . . . 0.0 107.572 179.93 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 49.5 ttm . . . . . 0 N--CA 1.44 -0.962 0 N-CA-C 106.686 -1.598 . . . . 0.0 106.686 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -76.11 99.17 4.57 Favored 'General case' 0 C--N 1.351 0.643 0 CA-C-N 111.406 -2.634 . . . . 0.0 107.898 179.637 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.641 ' HB1' HD12 ' A' ' 53' ' ' ILE . . . -99.93 141.36 32.85 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 111.992 -2.367 . . . . 0.0 106.63 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 70.3 mt -144.89 103.27 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.349 0.585 0 O-C-N 125.31 1.631 . . . . 0.0 110.044 -176.683 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.453 ' HB1' ' CD2' ' A' ' 19' ' ' PHE . . . -67.25 125.37 25.85 Favored 'General case' 0 CA--C 1.544 0.748 0 CA-C-N 113.678 -1.601 . . . . 0.0 108.016 176.783 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.28 -36.43 16.69 Favored 'General case' 0 C--N 1.355 0.815 0 C-N-CA 117.481 -1.687 . . . . 0.0 110.415 -179.585 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 58.6 m-85 -100.55 170.58 8.28 Favored 'General case' 0 C--N 1.343 0.319 0 CA-C-N 112.538 -2.119 . . . . 0.0 109.407 -177.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -97.05 135.83 38.48 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 112.08 -2.327 . . . . 0.0 107.015 178.636 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 12.0 t80 -136.98 152.56 50.29 Favored 'General case' 0 C--N 1.352 0.715 0 CA-C-O 124.951 2.31 . . . . 0.0 112.013 -178.505 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.456 ' H ' ' HD3' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -133.64 101.51 5.14 Favored 'General case' 0 N--CA 1.442 -0.858 1 CA-C-N 108.043 -4.162 . . . . 0.0 106.556 179.352 . . . . . . . . 4 4 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -52.56 166.44 0.19 Allowed 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 112.575 -2.102 . . . . 0.0 113.032 179.338 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 45.1 p -94.26 -31.85 13.91 Favored 'General case' 0 CA--C 1.543 0.681 0 CA-C-N 108.52 -3.946 . . . . 0.0 105.475 176.557 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 59.63 88.8 0.07 Allowed 'General case' 0 C--N 1.355 0.831 0 CA-C-N 110.364 -3.107 . . . . 0.0 113.62 177.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -137.0 24.63 3.03 Favored 'General case' 0 N--CA 1.436 -1.17 1 CA-C-N 106.797 -4.729 . . . . 0.0 107.029 178.218 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . 0.37 3.8 p-10 117.09 19.94 0.0 OUTLIER 'General case' 0 C--N 1.364 1.214 1 C-N-CA 131.734 4.014 . . . . 0.0 113.142 -179.323 . . . . . . . . 3 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -102.52 165.5 11.06 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 111.995 -2.366 . . . . 0.0 111.044 178.362 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . 0.368 0.0 OUTLIER -137.54 159.37 42.13 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-N 111.197 -2.729 . . . . 0.0 111.103 174.655 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 23.9 m -87.45 164.31 16.25 Favored 'General case' 0 CA--C 1.542 0.652 0 CA-C-N 109.95 -3.296 . . . . 0.0 112.616 -178.02 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.453 ' CD2' ' HB1' ' A' ' 5' ' ' ALA . 18.2 p90 -161.44 161.69 30.29 Favored 'General case' 0 C--N 1.349 0.573 0 CA-C-N 110.726 -2.943 . . . . 0.0 108.177 178.621 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -135.5 108.8 7.79 Favored 'General case' 0 C--N 1.348 0.532 0 O-C-N 124.304 1.002 . . . . 0.0 109.496 179.674 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 2.2 tmt_? 3.44 95.31 0.01 OUTLIER 'General case' 0 CA--C 1.551 1.015 0 C-N-CA 127.092 2.157 . . . . 0.0 114.681 179.566 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 121.03 8.58 7.88 Favored Glycine 0 CA--C 1.535 1.339 0 CA-C-N 113.061 -1.882 . . . . 0.0 115.013 179.039 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -76.5 139.38 40.77 Favored 'General case' 0 C--N 1.357 0.928 0 C-N-CA 118.354 -1.338 . . . . 0.0 109.753 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 77.8 mt -102.61 119.67 51.3 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.471 0 CA-C-N 112.389 -2.187 . . . . 0.0 105.731 178.549 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.559 ' HB2' ' HB3' ' A' ' 3' ' ' ALA . 1.9 mp -107.15 164.3 12.28 Favored 'General case' 0 C--N 1.349 0.586 0 CA-C-O 124.056 1.884 . . . . 0.0 111.961 -177.721 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 17.5 mmmt -107.69 105.73 15.73 Favored 'General case' 0 C--O 1.214 -0.786 0 CA-C-N 108.541 -3.936 . . . . 0.0 108.216 178.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.492 ' CG2' ' HB2' ' A' ' 3' ' ' ALA . 9.2 t -87.12 121.99 38.49 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 C-N-CA 114.398 -2.921 . . . . 0.0 108.967 -175.795 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 35.7 tp -92.13 -51.1 5.34 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 109.534 -3.484 . . . . 0.0 111.189 -178.018 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 67.4 t30 . . . . . 0 C--N 1.359 0.995 0 C-N-CA 118.049 -1.46 . . . . 0.0 112.267 -179.44 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 29.3 m-20 . . . . . 0 N--CA 1.447 -0.601 0 CA-C-O 118.232 -0.889 . . . . 0.0 112.026 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 56.3 m95 -137.97 128.77 26.93 Favored 'General case' 0 CA--C 1.554 1.104 0 CA-C-O 122.959 1.362 . . . . 0.0 111.713 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 21.4 m-85 -110.7 135.56 51.11 Favored 'General case' 0 C--O 1.221 -0.411 0 CA-C-N 112.574 -2.103 . . . . 0.0 108.27 178.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 38.0 ttpt -100.36 110.68 22.9 Favored 'General case' 0 C--N 1.35 0.608 0 N-CA-C 106.292 -1.744 . . . . 0.0 106.292 178.376 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -132.37 163.39 28.81 Favored 'General case' 0 C--N 1.353 0.734 0 CA-C-N 114.231 -1.35 . . . . 0.0 108.281 -178.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -104.09 138.19 40.96 Favored 'General case' 0 C--N 1.352 0.688 0 O-C-N 124.885 1.366 . . . . 0.0 110.077 -176.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . 0.37 12.5 mt -159.3 132.83 7.25 Favored 'General case' 0 CA--C 1.496 -1.097 0 CA-C-N 110.817 -2.901 . . . . 0.0 111.998 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 56.47 32.11 20.12 Favored 'General case' 0 CA--C 1.548 0.893 0 CA-C-N 110.967 -2.833 . . . . 0.0 112.498 171.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 73.79 23.34 76.79 Favored Glycine 0 C--N 1.354 1.56 0 CA-C-N 112.439 -2.164 . . . . 0.0 113.447 -179.425 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -135.16 116.03 14.06 Favored 'General case' 0 C--N 1.355 0.811 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 -179.566 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -95.82 128.39 42.66 Favored 'General case' 0 CA--C 1.539 0.543 0 N-CA-C 103.809 -2.663 . . . . 0.0 103.809 177.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -174.87 172.37 45.4 Favored Glycine 0 C--N 1.341 0.806 0 CA-C-N 114.079 -1.418 . . . . 0.0 111.547 -176.244 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 76.3 m-85 -79.57 144.76 33.58 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 112.082 -2.059 . . . . 0.0 112.089 -178.631 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 6.1 pt -141.67 148.21 48.86 Favored Pre-proline 0 CA--C 1.542 0.643 0 CA-C-N 112.099 -2.319 . . . . 0.0 107.046 178.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 4.3 Cg_endo -68.33 142.66 55.57 Favored 'Trans proline' 0 C--N 1.357 1.012 0 C-N-CA 121.606 1.537 . . . . 0.0 114.253 -179.477 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 26.0 mtmt -71.91 -26.3 62.25 Favored 'General case' 0 C--N 1.366 1.311 0 C-N-CA 116.63 -2.028 . . . . 0.0 111.1 179.095 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -68.96 -18.81 64.13 Favored 'General case' 0 C--N 1.361 1.089 0 C-N-CA 118.478 -1.289 . . . . 0.0 111.76 -179.795 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 11.3 m-85 -91.91 -4.64 54.45 Favored 'General case' 0 CA--C 1.554 1.127 0 CA-C-N 113.819 -1.537 . . . . 0.0 113.396 -178.552 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.641 HD12 ' HB1' ' A' ' 3' ' ' ALA . 0.2 OUTLIER -131.83 153.27 38.33 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.259 0 CA-C-O 122.276 1.036 . . . . 0.0 111.533 179.052 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 . . . . . 0 C--N 1.352 0.717 0 N-CA-C 104.262 -2.495 . . . . 0.0 104.262 174.939 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 60.7 t . . . . . 0 CA--C 1.545 0.763 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 2' ' ' PRO . . . . . 0.421 ' HA ' ' HD3' ' B' ' 3' ' ' PRO . 67.4 Cg_exo -53.92 147.13 43.51 Favored 'Trans proline' 0 CA--C 1.563 1.946 0 C-N-CA 121.831 1.687 . . . . 0.0 115.723 179.355 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 3' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' B' ' 2' ' ' PRO . 44.7 Cg_exo -58.49 161.65 14.03 Favored 'Trans proline' 0 C--N 1.367 1.512 0 C-N-CA 124.02 3.147 . . . . 0.0 116.141 179.168 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -74.61 125.35 9.47 Favored 'Trans proline' 0 C--N 1.368 1.56 0 C-N-CA 122.435 2.09 . . . . 0.0 106.694 175.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . 0.416 HG12 ' HD2' ' B' ' 6' ' ' PRO . 1.7 t -69.44 140.21 89.86 Favored Pre-proline 0 N--CA 1.45 -0.475 0 CA-C-N 111.348 -2.66 . . . . 0.0 111.98 -176.501 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 6' ' ' PRO . . . . . 0.416 ' HD2' HG12 ' B' ' 5' ' ' VAL . 19.7 Cg_exo -61.92 161.43 25.73 Favored 'Trans proline' 0 C--N 1.364 1.36 0 O-C-N 123.326 1.172 . . . . 0.0 113.942 179.497 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -88.91 109.93 0.51 Allowed 'Trans proline' 0 CA--C 1.548 1.176 0 C-N-CA 120.897 1.065 . . . . 0.0 109.819 176.17 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 3.7 ptm85 . . . . . 0 C--N 1.353 0.75 0 N-CA-C 106.769 -1.567 . . . . 0.0 106.769 178.298 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.9 ttm . . . . . 0 CA--C 1.539 0.522 0 N-CA-C 108.082 -1.081 . . . . 0.0 108.082 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -88.05 121.6 30.65 Favored 'General case' 0 C--N 1.353 0.724 0 CA-C-N 112.426 -2.17 . . . . 0.0 108.451 179.061 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.67 ' HB1' HD12 ' A' ' 53' ' ' ILE . . . -111.62 147.83 34.63 Favored 'General case' 0 C--N 1.347 0.479 0 CA-C-N 112.543 -2.117 . . . . 0.0 109.347 179.282 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 61.4 mt -145.73 109.47 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.351 0.658 0 CA-C-N 113.11 -1.859 . . . . 0.0 109.579 -177.578 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -67.3 120.06 13.19 Favored 'General case' 0 CA--C 1.544 0.723 0 CA-C-N 114.13 -1.395 . . . . 0.0 109.287 177.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 19.4 mtmt -89.36 -19.84 24.73 Favored 'General case' 0 C--N 1.344 0.356 0 CA-C-N 114.436 -1.256 . . . . 0.0 112.249 179.772 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 81.2 m-85 -140.36 167.77 21.37 Favored 'General case' 0 C--N 1.346 0.43 0 CA-C-N 113.253 -1.794 . . . . 0.0 110.223 -178.658 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 11.1 p-10 -86.06 127.01 34.59 Favored 'General case' 0 C--N 1.348 0.511 0 CA-C-N 110.866 -2.879 . . . . 0.0 107.162 179.274 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 34.4 t80 -139.65 152.76 47.02 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 112.187 -2.278 . . . . 0.0 111.698 -177.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 46.0 mttp -133.94 140.62 46.89 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-N 110.829 -2.896 . . . . 0.0 108.314 175.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -51.21 150.83 3.1 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 112.038 -2.346 . . . . 0.0 112.724 179.638 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 5.4 p -115.55 -6.17 12.22 Favored 'General case' 0 C--N 1.349 0.561 0 CA-C-N 111.844 -2.435 . . . . 0.0 111.118 179.189 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -151.55 173.28 14.8 Favored 'General case' 0 C--N 1.349 0.579 0 CA-C-N 113.106 -1.861 . . . . 0.0 110.003 -178.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -73.91 -24.84 59.75 Favored 'General case' 0 CA--C 1.551 1.016 0 CA-C-N 111.468 -2.605 . . . . 0.0 111.712 -179.464 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -86.86 -17.11 34.13 Favored 'General case' 0 C--N 1.353 0.733 0 CA-C-N 113.501 -1.682 . . . . 0.0 111.899 179.328 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -99.12 155.22 17.57 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 113.675 -1.602 . . . . 0.0 108.917 179.753 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.47 HD23 ' C ' ' A' ' 45' ' ' ASP . 3.5 pp -132.98 159.22 40.64 Favored 'General case' 0 N--CA 1.474 0.768 0 CA-C-N 112.886 -1.961 . . . . 0.0 111.356 178.194 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 45.7 m -86.97 156.68 19.69 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 109.809 -3.359 . . . . 0.0 111.802 -177.527 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.405 ' HB3' ' CD1' ' A' ' 41' ' ' LEU . 36.3 p90 -159.5 147.57 17.43 Favored 'General case' 0 C--O 1.219 -0.533 0 CA-C-N 111.069 -2.787 . . . . 0.0 107.699 177.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 37.2 mtmt -103.81 145.17 30.49 Favored 'General case' 0 N--CA 1.446 -0.635 0 CA-C-N 112.835 -1.984 . . . . 0.0 106.854 -179.162 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 4.5 tmt_? -46.13 100.75 0.02 OUTLIER 'General case' 0 CA--C 1.55 0.949 0 O-C-N 125.518 1.761 . . . . 0.0 111.788 178.363 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 123.96 0.75 8.97 Favored Glycine 0 C--N 1.353 1.474 0 CA-C-N 113.559 -1.655 . . . . 0.0 114.697 179.661 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 51.7 m-20 -74.58 142.31 44.67 Favored 'General case' 0 C--N 1.364 1.204 0 C-N-CA 117.647 -1.621 . . . . 0.0 109.209 179.525 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 52.1 mm -101.49 120.15 50.69 Favored 'Isoleucine or valine' 0 C--N 1.343 0.316 0 N-CA-C 104.178 -2.527 . . . . 0.0 104.178 178.291 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.556 ' HB2' ' HB3' ' A' ' 3' ' ' ALA . 2.9 mp -105.46 162.27 13.61 Favored 'General case' 0 C--N 1.349 0.571 0 CA-C-N 112.904 -1.953 . . . . 0.0 111.502 -176.553 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 12.0 tmtt? -105.28 100.01 9.6 Favored 'General case' 0 C--O 1.218 -0.594 0 CA-C-N 108.721 -3.854 . . . . 0.0 108.072 178.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.495 HG23 ' HB2' ' A' ' 3' ' ' ALA . 5.4 t -87.93 113.11 24.55 Favored 'Isoleucine or valine' 0 C--N 1.344 0.364 0 N-CA-C 105.723 -1.954 . . . . 0.0 105.723 -177.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 50.3 tp -89.29 -50.25 6.24 Favored 'General case' 0 N--CA 1.443 -0.797 0 CA-C-N 108.701 -3.863 . . . . 0.0 108.787 -177.018 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 16.7 p-10 . . . . . 0 CA--C 1.542 0.667 0 O-C-N 125.295 1.622 . . . . 0.0 109.385 178.961 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.49 ' O ' ' HA ' ' A' ' 49' ' ' PRO . 95.5 m-20 . . . . . 0 N--CA 1.441 -0.901 0 N-CA-C 114.587 1.328 . . . . 0.0 114.587 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 80.7 m95 -138.64 118.32 13.1 Favored 'General case' 0 C--N 1.343 0.286 0 CA-C-O 123.08 1.419 . . . . 0.0 109.878 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.431 ' O ' ' HA ' ' A' ' 47' ' ' PHE . 13.0 m-85 -101.16 170.84 7.99 Favored 'General case' 0 C--O 1.217 -0.616 0 CA-C-N 110.782 -2.917 . . . . 0.0 106.65 178.706 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 11.7 ttmm -123.78 110.06 14.44 Favored 'General case' 0 N--CA 1.446 -0.628 0 N-CA-C 104.286 -2.487 . . . . 0.0 104.286 177.503 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -134.65 174.79 10.17 Favored 'General case' 0 C--N 1.351 0.631 0 CA-C-N 114.177 -1.374 . . . . 0.0 111.056 -178.381 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 9.9 tm-20 -124.54 140.87 52.54 Favored 'General case' 0 C--N 1.355 0.816 0 CA-C-N 113.592 -1.64 . . . . 0.0 108.392 -178.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.405 ' CD1' ' HB3' ' A' ' 19' ' ' PHE 0.37 12.4 mt -159.52 145.1 15.85 Favored 'General case' 0 CA--C 1.493 -1.232 0 CA-C-N 110.967 -2.833 . . . . 0.0 112.271 -179.88 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . 0.311 1.0 OUTLIER 64.96 -73.82 0.06 Allowed 'General case' 0 N--CA 1.434 -1.258 1 CA-C-N 108.324 -4.034 . . . . 0.0 115.493 172.843 . . . . . . . . 4 3 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -164.55 20.1 0.13 Allowed Glycine 0 CA--C 1.529 0.961 0 CA-C-N 110.931 -2.85 . . . . 0.0 111.485 179.351 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -137.59 167.59 21.36 Favored 'General case' 0 C--N 1.349 0.552 0 CA-C-N 112.258 -1.971 . . . . 0.0 109.989 -179.464 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.47 ' C ' HD23 ' A' ' 17' ' ' LEU . 11.9 p-10 -141.97 131.68 24.15 Favored 'General case' 0 CA--C 1.551 1.002 0 CA-C-N 111.973 -2.376 . . . . 0.0 106.063 178.053 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -176.95 -178.77 46.95 Favored Glycine 0 C--N 1.355 1.634 0 C-N-CA 117.859 -2.115 . . . . 0.0 112.783 -176.483 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.431 ' HA ' ' O ' ' A' ' 37' ' ' TYR . 96.4 m-85 -80.16 143.5 33.81 Favored 'General case' 0 C--N 1.354 0.792 0 CA-C-N 112.678 -1.761 . . . . 0.0 111.703 -179.79 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -140.58 141.66 26.1 Favored Pre-proline 0 CA--C 1.555 1.161 0 CA-C-N 112.036 -2.347 . . . . 0.0 108.693 -179.768 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.49 ' HA ' ' O ' ' A' ' 35' ' ' ASN . 6.9 Cg_endo -71.97 144.2 42.38 Favored 'Trans proline' 0 C--N 1.371 1.732 0 C-N-CA 122.078 1.852 . . . . 0.0 115.404 -178.817 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 6.0 mtpm? -70.46 -35.58 73.39 Favored 'General case' 0 C--N 1.378 1.838 0 C-N-CA 114.596 -2.842 . . . . 0.0 113.388 179.563 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . 0.354 0.7 OUTLIER -67.95 -12.2 60.27 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 117.788 -1.565 . . . . 0.0 115.081 -178.947 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.45 ' CE1' HG22 ' B' ' 5' ' ' VAL . 9.3 m-85 -92.89 -3.63 54.26 Favored 'General case' 0 C--N 1.356 0.89 0 C-N-CA 118.531 -1.267 . . . . 0.0 112.189 177.53 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.67 HD12 ' HB1' ' A' ' 3' ' ' ALA . 0.1 OUTLIER -130.75 174.25 13.25 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.86 0 CA-C-O 122.831 1.301 . . . . 0.0 108.751 178.555 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.465 ' N ' ' CG1' ' A' ' 53' ' ' ILE . 30.0 tt0 . . . . . 0 N--CA 1.447 -0.609 0 CA-C-N 111.333 -2.667 . . . . 0.0 105.194 176.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 71.4 t . . . . . 0 CA--C 1.545 0.787 0 N-CA-C 107.61 -1.255 . . . . 0.0 107.61 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 2' ' ' PRO . . . . . 0.411 ' HA ' ' HD3' ' B' ' 3' ' ' PRO . 52.0 Cg_exo -52.21 148.49 24.7 Favored 'Trans proline' 0 CA--C 1.563 1.974 0 C-N-CA 121.613 1.542 . . . . 0.0 115.901 -179.69 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 3' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' B' ' 2' ' ' PRO . 85.8 Cg_exo -52.39 160.57 3.4 Favored 'Trans proline' 0 C--N 1.368 1.555 0 C-N-CA 125.07 3.847 . . . . 0.0 118.466 -179.688 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -81.37 118.73 3.29 Favored 'Trans proline' 0 C--N 1.362 1.251 0 N-CA-C 105.32 -2.608 . . . . 0.0 105.32 173.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . 0.45 HG22 ' CE1' ' A' ' 52' ' ' TYR . 2.3 t -58.97 139.89 87.04 Favored Pre-proline 0 CA--C 1.548 0.885 0 CA-C-N 112.033 -2.349 . . . . 0.0 110.794 -177.599 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -57.51 149.09 68.79 Favored 'Trans proline' 0 C--N 1.363 1.314 0 C-N-CA 120.938 1.092 . . . . 0.0 114.187 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -79.14 105.44 1.92 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 N-CA-C 107.776 -1.663 . . . . 0.0 107.776 177.302 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.538 0.485 0 CA-C-N 113.053 -1.885 . . . . 0.0 108.077 -179.208 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.469 ' SD ' HG11 ' A' ' 27' ' ' VAL . 17.1 ttm . . . . . 0 CA--C 1.543 0.708 0 N-CA-C 104.758 -2.312 . . . . 0.0 104.758 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -76.75 95.96 4.14 Favored 'General case' 0 C--N 1.365 1.281 0 CA-C-O 123.1 1.429 . . . . 0.0 108.063 -179.424 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.534 ' HB1' HD12 ' A' ' 53' ' ' ILE . . . -94.49 139.83 30.64 Favored 'General case' 0 N--CA 1.444 -0.726 0 CA-C-N 110.283 -3.144 . . . . 0.0 107.968 -174.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 84.5 mt -142.5 115.9 3.99 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.648 0 CA-C-N 111.355 -2.657 . . . . 0.0 109.481 -174.539 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -66.86 120.54 13.74 Favored 'General case' 0 CA--C 1.546 0.823 0 CA-C-N 113.329 -1.76 . . . . 0.0 108.091 177.499 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 36.4 mtmt -88.44 -18.74 27.66 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 114.74 -1.118 . . . . 0.0 112.563 -179.584 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 37.3 m-85 -139.69 168.65 19.34 Favored 'General case' 0 C--N 1.348 0.525 0 CA-C-N 113.496 -1.684 . . . . 0.0 109.754 -179.526 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -85.64 129.5 34.81 Favored 'General case' 0 C--N 1.352 0.708 0 CA-C-N 112.132 -2.304 . . . . 0.0 106.514 178.197 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 23.5 t80 -139.86 149.14 43.06 Favored 'General case' 0 C--N 1.345 0.394 0 CA-C-N 113.036 -1.893 . . . . 0.0 111.491 -179.387 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 55.3 mmtt -129.51 113.23 14.61 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 110.245 -3.161 . . . . 0.0 106.865 177.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -52.44 155.09 2.23 Favored 'General case' 0 C--N 1.348 0.508 0 CA-C-N 113.507 -1.679 . . . . 0.0 112.894 179.465 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 44.2 p -81.52 -25.51 35.89 Favored 'General case' 0 CA--C 1.549 0.926 0 CA-C-N 110.758 -2.928 . . . . 0.0 106.686 175.41 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 62.13 84.79 0.13 Allowed 'General case' 0 C--N 1.352 0.699 0 CA-C-N 110.445 -3.071 . . . . 0.0 112.128 179.27 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -133.41 17.24 4.02 Favored 'General case' 0 N--CA 1.44 -0.966 1 CA-C-N 106.67 -4.786 . . . . 0.0 107.702 178.77 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 16.8 p-10 118.56 15.45 0.0 OUTLIER 'General case' 0 C--N 1.367 1.339 0 C-N-CA 131.325 3.85 . . . . 0.0 111.238 -176.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 58.1 mt-10 -100.08 159.56 15.0 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 111.755 -2.475 . . . . 0.0 110.338 179.775 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . 0.397 0.0 OUTLIER -135.15 158.94 43.08 Favored 'General case' 0 N--CA 1.479 0.993 0 CA-C-N 112.171 -2.286 . . . . 0.0 111.518 176.394 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 37.8 m -86.17 161.29 18.92 Favored 'General case' 0 N--CA 1.445 -0.719 0 CA-C-N 109.563 -3.472 . . . . 0.0 111.798 -176.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 22.2 p90 -160.53 155.67 24.61 Favored 'General case' 0 C--N 1.345 0.41 0 CA-C-N 110.692 -2.958 . . . . 0.0 107.35 178.37 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 47.4 pttt -110.34 139.17 45.8 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 111.626 -2.534 . . . . 0.0 106.088 178.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 4.6 tmt_? -44.99 102.36 0.03 OUTLIER 'General case' 0 CA--C 1.551 0.981 0 O-C-N 125.408 1.693 . . . . 0.0 111.602 178.325 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 126.4 -1.84 7.63 Favored Glycine 0 C--N 1.35 1.361 0 CA-C-N 113.133 -1.849 . . . . 0.0 114.618 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -73.06 150.27 42.47 Favored 'General case' 0 C--N 1.364 1.202 0 C-N-CA 116.816 -1.954 . . . . 0.0 110.289 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 85.9 mt -103.43 118.57 50.67 Favored 'Isoleucine or valine' 0 C--N 1.347 0.466 0 N-CA-C 103.889 -2.634 . . . . 0.0 103.889 177.711 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.472 ' HB2' ' HB3' ' A' ' 3' ' ' ALA . 3.9 mp -112.08 174.64 5.78 Favored 'General case' 0 C--N 1.348 0.513 0 CA-C-N 113.448 -1.705 . . . . 0.0 109.233 -177.512 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 20.5 ttmt -129.95 99.59 5.15 Favored 'General case' 0 C--O 1.217 -0.651 0 CA-C-N 109.652 -3.431 . . . . 0.0 108.864 179.163 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.541 HG22 ' HB2' ' A' ' 39' ' ' ALA . 33.7 t -87.97 104.83 14.87 Favored 'Isoleucine or valine' 0 C--N 1.351 0.671 0 N-CA-C 102.693 -3.077 . . . . 0.0 102.693 -178.655 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.5 tt -90.43 -33.72 15.9 Favored 'General case' 0 N--CA 1.444 -0.726 1 CA-C-N 107.784 -4.28 . . . . 0.0 110.595 -175.862 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 59.6 m-20 . . . . . 0 C--N 1.351 0.673 0 CA-C-O 122.896 1.331 . . . . 0.0 109.152 178.686 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 31.4 m-20 . . . . . 0 N--CA 1.442 -0.861 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 62.7 m95 -139.74 130.03 25.33 Favored 'General case' 0 C--N 1.363 1.175 0 CA-C-O 122.877 1.323 . . . . 0.0 111.943 -179.033 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -104.9 177.97 4.69 Favored 'General case' 0 C--O 1.219 -0.518 0 CA-C-N 111.769 -2.469 . . . . 0.0 105.805 176.336 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -134.98 117.92 16.3 Favored 'General case' 0 CA--C 1.537 0.448 0 N-CA-C 105.697 -1.964 . . . . 0.0 105.697 178.323 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.541 ' HB2' HG22 ' A' ' 27' ' ' VAL . . . -136.05 173.83 11.28 Favored 'General case' 0 C--N 1.359 0.981 0 C-N-CA 118.109 -1.436 . . . . 0.0 111.198 -178.498 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -107.57 133.2 52.37 Favored 'General case' 0 C--N 1.355 0.831 0 O-C-N 125.676 1.86 . . . . 0.0 110.919 -178.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . 0.321 12.5 mt -161.01 133.41 6.04 Favored 'General case' 0 C--N 1.352 0.713 0 CA-C-N 112.503 -2.135 . . . . 0.0 113.494 178.008 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 55.46 33.33 20.74 Favored 'General case' 0 CA--C 1.547 0.835 0 CA-C-N 112.024 -2.353 . . . . 0.0 114.44 170.624 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 72.31 20.22 79.14 Favored Glycine 0 CA--C 1.537 1.419 0 CA-C-N 113.535 -1.666 . . . . 0.0 113.749 -179.568 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 41.9 mmtm -137.3 116.54 12.62 Favored 'General case' 0 C--N 1.356 0.86 0 N-CA-C 108.383 -0.969 . . . . 0.0 108.383 179.638 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -97.32 131.13 44.31 Favored 'General case' 0 CA--C 1.546 0.812 0 N-CA-C 104.577 -2.379 . . . . 0.0 104.577 177.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -174.34 177.79 46.4 Favored Glycine 0 C--N 1.343 0.926 0 CA-C-N 114.186 -1.37 . . . . 0.0 111.618 -176.104 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 63.2 m-85 -80.34 149.67 30.19 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 113.214 -1.493 . . . . 0.0 113.269 -178.682 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 26.7 pt -140.81 144.75 36.92 Favored Pre-proline 0 CA--C 1.555 1.146 0 CA-C-N 110.945 -2.843 . . . . 0.0 107.773 179.63 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 4.7 Cg_endo -75.55 155.94 40.49 Favored 'Trans proline' 0 C--N 1.366 1.449 0 C-N-CA 121.807 1.671 . . . . 0.0 114.475 179.259 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . 0.263 8.4 mmtt -68.73 -52.88 25.94 Favored 'General case' 0 C--N 1.353 0.731 0 CA-C-N 113.086 -1.87 . . . . 0.0 111.355 -179.105 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . 0.269 0.8 OUTLIER -67.23 -5.4 13.74 Favored 'General case' 0 CA--C 1.546 0.804 0 N-CA-C 115.239 1.57 . . . . 0.0 115.239 -179.078 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.487 ' CE1' HG22 ' B' ' 5' ' ' VAL . 13.5 m-85 -95.75 -12.53 25.25 Favored 'General case' 0 C--N 1.356 0.855 0 C-N-CA 117.665 -1.614 . . . . 0.0 113.76 178.415 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.534 HD12 ' HB1' ' A' ' 3' ' ' ALA . 0.1 OUTLIER -131.43 172.6 16.01 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.429 0 CA-C-O 122.582 1.182 . . . . 0.0 112.325 -178.533 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.522 ' N ' ' CG1' ' A' ' 53' ' ' ILE . 19.3 tp10 . . . . . 0 CA--C 1.559 1.326 0 CA-C-N 111.675 -2.511 . . . . 0.0 105.054 173.543 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 66.9 t . . . . . 0 CA--C 1.542 0.671 0 N-CA-C 107.155 -1.424 . . . . 0.0 107.155 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_exo -45.09 134.4 11.18 Favored 'Trans proline' 0 CA--C 1.571 2.365 0 C-N-CA 121.967 1.778 . . . . 0.0 115.421 -179.474 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 41.1 Cg_exo -39.34 161.37 0.02 OUTLIER 'Trans proline' 0 C--N 1.376 2.02 1 C-N-CA 125.858 4.372 . . . . 0.0 120.925 -177.546 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -75.22 113.57 3.81 Favored 'Trans proline' 0 C--N 1.358 1.07 0 N-CA-C 106.535 -2.141 . . . . 0.0 106.535 175.216 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . 0.487 HG22 ' CE1' ' A' ' 52' ' ' TYR . 2.3 t -63.31 137.13 96.99 Favored Pre-proline 0 CA--C 1.555 1.148 0 CA-C-N 111.481 -2.6 . . . . 0.0 110.058 -178.274 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 28.4 Cg_exo -61.79 160.72 27.82 Favored 'Trans proline' 0 C--N 1.363 1.296 0 N-CA-C 115.369 1.257 . . . . 0.0 115.369 -179.598 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -84.91 112.4 1.48 Allowed 'Trans proline' 0 CA--C 1.548 1.217 0 N-CA-C 108.783 -1.276 . . . . 0.0 108.783 175.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 6.7 ppt_? . . . . . 0 C--N 1.356 0.881 0 CA-C-N 114.758 -1.11 . . . . 0.0 109.964 179.66 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.695 ' SD ' HG21 ' A' ' 27' ' ' VAL . 0.0 OUTLIER . . . . . 0 CA--C 1.539 0.541 0 CA-C-O 123.092 1.425 . . . . 0.0 110.57 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 56.3 mt-10 -76.89 115.09 16.37 Favored 'General case' 0 C--N 1.355 0.826 0 CA-C-N 110.166 -3.197 . . . . 0.0 107.579 179.012 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.614 ' HB3' ' HB2' ' A' ' 25' ' ' LEU . . . -101.72 143.2 31.95 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 111.85 -2.432 . . . . 0.0 107.822 -179.417 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 38.9 mm -136.43 112.2 11.92 Favored 'Isoleucine or valine' 0 C--N 1.352 0.681 0 CA-C-N 113.581 -1.645 . . . . 0.0 110.511 -176.045 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -67.82 122.23 17.69 Favored 'General case' 0 CA--C 1.551 0.989 0 CA-C-N 114.41 -1.268 . . . . 0.0 109.677 177.596 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 30.4 mtmt -88.59 -25.88 22.23 Favored 'General case' 0 C--N 1.344 0.348 0 CA-C-N 114.193 -1.367 . . . . 0.0 112.353 179.729 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -137.5 173.32 11.79 Favored 'General case' 0 C--N 1.345 0.384 0 CA-C-N 113.675 -1.602 . . . . 0.0 109.767 -178.659 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -92.06 137.27 32.5 Favored 'General case' 0 C--N 1.351 0.65 0 CA-C-N 111.833 -2.44 . . . . 0.0 107.999 -179.665 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -138.4 141.66 39.59 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 111.533 -2.576 . . . . 0.0 110.296 -179.44 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.6 54.72 1.93 Allowed 'General case' 0 CA--C 1.547 0.845 0 CA-C-N 110.599 -3.001 . . . . 0.0 113.001 -177.486 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 9.06 141.09 0.0 OUTLIER 'General case' 0 N--CA 1.498 1.926 0 C-N-CA 129.473 3.109 . . . . 0.0 117.939 -177.647 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -94.89 -10.06 32.37 Favored 'General case' 0 C--N 1.355 0.818 0 CA-C-N 112.377 -2.192 . . . . 0.0 112.33 179.721 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -153.24 173.08 16.02 Favored 'General case' 0 C--N 1.353 0.754 0 CA-C-O 123.041 1.4 . . . . 0.0 111.114 -179.273 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -63.11 -30.09 71.32 Favored 'General case' 0 CA--C 1.548 0.899 0 CA-C-N 110.369 -3.105 . . . . 0.0 113.305 -178.697 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 13.1 p-10 -75.16 -26.41 59.09 Favored 'General case' 0 CA--C 1.545 0.767 0 CA-C-N 114.19 -1.368 . . . . 0.0 111.59 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -99.95 157.22 16.69 Favored 'General case' 0 C--N 1.349 0.567 0 CA-C-N 113.279 -1.782 . . . . 0.0 110.453 -178.62 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . 0.282 3.4 pp -136.41 160.41 38.83 Favored 'General case' 0 C--N 1.344 0.332 0 CA-C-N 111.439 -2.618 . . . . 0.0 110.251 176.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 13.4 m -86.0 158.56 19.83 Favored 'General case' 0 N--CA 1.437 -1.113 0 CA-C-N 108.585 -3.916 . . . . 0.0 111.506 -176.389 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 23.2 p90 -159.47 144.36 15.45 Favored 'General case' 0 C--O 1.222 -0.378 0 CA-C-N 109.388 -3.551 . . . . 0.0 103.799 178.64 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 40.0 mtmt -105.06 145.41 30.52 Favored 'General case' 0 N--CA 1.444 -0.727 0 N-CA-C 105.149 -2.167 . . . . 0.0 105.149 179.687 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 60.7 ttt180 -46.05 115.51 1.01 Allowed 'General case' 0 CA--C 1.551 0.991 0 O-C-N 125.134 1.521 . . . . 0.0 112.266 178.328 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 109.58 0.58 30.81 Favored Glycine 0 CA--C 1.532 1.103 0 CA-C-N 111.151 -2.75 . . . . 0.0 113.863 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 55.0 m-20 -78.7 145.8 34.32 Favored 'General case' 0 C--N 1.368 1.375 0 C-N-CA 116.476 -2.09 . . . . 0.0 108.865 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 71.0 mt -101.35 127.69 54.41 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.467 0 CA-C-N 113.15 -1.841 . . . . 0.0 106.929 -179.755 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.614 ' HB2' ' HB3' ' A' ' 3' ' ' ALA . 0.4 OUTLIER -104.98 179.79 4.17 Favored 'General case' 0 C--N 1.353 0.741 0 CA-C-N 113.627 -1.624 . . . . 0.0 110.468 -178.953 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.2 tmmm? -134.12 110.56 9.68 Favored 'General case' 0 C--O 1.215 -0.74 0 CA-C-N 109.761 -3.381 . . . . 0.0 108.808 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.695 HG21 ' SD ' ' A' ' 1' ' ' MET . 20.2 m -87.42 117.85 32.21 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.07 0 C-N-CA 115.772 -2.371 . . . . 0.0 110.911 -176.565 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 45.2 tp -90.91 -56.74 3.06 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 110.483 -3.053 . . . . 0.0 110.515 -177.393 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 77.1 m-20 . . . . . 0 C--N 1.351 0.649 0 O-C-N 125.435 1.709 . . . . 0.0 109.783 -179.655 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 29.5 m-20 . . . . . 0 CA--C 1.545 0.756 0 CA-C-O 118.797 -0.621 . . . . 0.0 109.494 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 75.5 m95 -137.01 126.55 25.17 Favored 'General case' 0 C--N 1.362 1.116 0 CA-C-O 122.958 1.361 . . . . 0.0 110.968 -178.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 15.5 m-85 -105.3 144.3 32.27 Favored 'General case' 0 C--O 1.219 -0.531 0 CA-C-N 111.077 -2.783 . . . . 0.0 108.957 179.234 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 81.8 tttt -103.86 109.71 21.55 Favored 'General case' 0 CA--C 1.538 0.491 0 N-CA-C 105.057 -2.201 . . . . 0.0 105.057 177.47 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -133.31 169.08 17.43 Favored 'General case' 0 C--N 1.357 0.895 0 O-C-N 124.529 1.143 . . . . 0.0 111.601 -176.444 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -105.13 147.55 27.82 Favored 'General case' 0 C--N 1.363 1.194 0 O-C-N 124.928 1.393 . . . . 0.0 111.675 -177.077 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.603 HD11 ' CD1' ' A' ' 25' ' ' LEU . 5.7 mt -161.22 119.0 2.34 Favored 'General case' 0 C--N 1.349 0.578 0 CA-C-N 109.709 -3.405 . . . . 0.0 113.344 178.108 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . 0.325 0.0 OUTLIER 60.07 31.24 20.52 Favored 'General case' 0 C--N 1.359 1.017 0 C-N-CA 114.109 -3.036 . . . . 0.0 117.631 172.572 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 62.75 23.38 65.29 Favored Glycine 0 CA--C 1.537 1.444 0 CA-C-N 114.197 -1.365 . . . . 0.0 112.215 -179.218 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -133.26 107.85 8.39 Favored 'General case' 0 N--CA 1.438 -1.055 0 N-CA-C 105.413 -2.069 . . . . 0.0 105.413 -179.631 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -99.52 136.09 39.96 Favored 'General case' 0 CA--C 1.558 1.26 0 CA-C-N 112.591 -2.095 . . . . 0.0 107.75 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -169.18 175.97 43.38 Favored Glycine 0 C--N 1.348 1.212 0 C-N-CA 120.125 -1.036 . . . . 0.0 112.698 -177.431 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -80.13 140.21 36.49 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 112.402 -1.899 . . . . 0.0 111.417 -179.639 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 35.3 pt -139.53 140.97 26.9 Favored Pre-proline 0 CA--C 1.544 0.737 0 CA-C-N 111.9 -2.409 . . . . 0.0 106.597 179.787 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 6.9 Cg_endo -72.28 146.61 45.9 Favored 'Trans proline' 0 C--N 1.361 1.212 0 C-N-CA 121.54 1.493 . . . . 0.0 113.263 -179.725 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 46.1 mtmt -71.36 -33.0 69.17 Favored 'General case' 0 C--N 1.361 1.105 0 C-N-CA 116.213 -2.195 . . . . 0.0 111.717 179.519 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . 0.309 1.6 p-10 -70.78 -10.36 59.35 Favored 'General case' 0 C--N 1.355 0.841 0 C-N-CA 118.298 -1.361 . . . . 0.0 114.12 -179.707 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -93.36 -4.55 51.32 Favored 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 118.469 -1.293 . . . . 0.0 111.505 177.112 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.611 HD12 ' HB1' ' A' ' 3' ' ' ALA . 0.1 OUTLIER -130.17 172.52 15.74 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.178 0 CA-C-O 122.45 1.119 . . . . 0.0 110.701 179.07 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.455 ' N ' ' CG1' ' A' ' 53' ' ' ILE . 37.8 tt0 . . . . . 0 CA--C 1.549 0.921 0 C-N-CA 128.589 2.755 . . . . 0.0 106.344 176.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 8.1 p . . . . . 0 CA--C 1.552 1.03 0 N-CA-C 114.368 1.247 . . . . 0.0 114.368 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 2' ' ' PRO . . . . . 0.423 ' HA ' ' HD3' ' B' ' 3' ' ' PRO . 50.6 Cg_exo -49.75 149.18 11.04 Favored 'Trans proline' 0 CA--C 1.56 1.805 0 C-N-CA 121.871 1.714 . . . . 0.0 115.811 -179.19 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 3' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' B' ' 2' ' ' PRO . 61.1 Cg_exo -52.6 159.67 4.51 Favored 'Trans proline' 0 C--N 1.367 1.526 0 C-N-CA 124.168 3.245 . . . . 0.0 116.502 179.471 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -75.25 123.24 7.6 Favored 'Trans proline' 0 C--N 1.365 1.423 0 N-CA-C 106.687 -2.082 . . . . 0.0 106.687 175.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . 0.406 ' HA ' ' HD3' ' B' ' 6' ' ' PRO . 1.7 t -68.01 137.84 92.29 Favored Pre-proline 0 CA--C 1.543 0.68 0 CA-C-N 111.491 -2.595 . . . . 0.0 112.15 -176.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 6' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' B' ' 5' ' ' VAL . 21.7 Cg_exo -59.29 161.69 16.13 Favored 'Trans proline' 0 C--N 1.363 1.301 0 C-N-CA 121.462 1.441 . . . . 0.0 114.345 179.139 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -82.36 113.28 2.32 Favored 'Trans proline' 0 CA--C 1.547 1.132 0 C-N-CA 121.005 1.137 . . . . 0.0 109.887 176.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 1.6 ppt_? . . . . . 0 C--N 1.351 0.668 0 CA-C-O 123.989 1.852 . . . . 0.0 108.791 178.233 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.7 ttm . . . . . 0 N--CA 1.436 -1.173 0 N-CA-C 106.269 -1.752 . . . . 0.0 106.269 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 56.9 mt-10 -98.87 97.14 8.37 Favored 'General case' 0 C--O 1.215 -0.74 0 N-CA-C 103.49 -2.782 . . . . 0.0 103.49 178.637 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.711 ' HB1' HD12 ' A' ' 53' ' ' ILE 0.288 . . -91.85 154.69 18.72 Favored 'General case' 0 C--N 1.354 0.78 0 C-N-CA 128.624 2.769 . . . . 0.0 115.219 -172.021 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 29.8 mm -136.51 118.03 19.23 Favored 'Isoleucine or valine' 0 C--N 1.359 1.019 0 CA-C-N 110.195 -3.184 . . . . 0.0 108.338 -177.544 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -66.58 131.48 46.09 Favored 'General case' 0 CA--C 1.539 0.554 0 N-CA-C 106.114 -1.81 . . . . 0.0 106.114 177.075 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 18.1 tttt -86.4 -37.22 18.6 Favored 'General case' 0 CA--C 1.512 -0.484 0 CA-C-N 111.652 -2.522 . . . . 0.0 112.465 -176.411 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.413 ' CG ' ' HB3' ' B' ' 2' ' ' PRO . 78.9 m-85 -138.61 172.35 13.01 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-N 110.809 -2.905 . . . . 0.0 108.382 -179.459 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -83.27 130.41 35.07 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 110.139 -3.209 . . . . 0.0 107.152 179.117 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 19.2 t80 -137.27 146.86 45.22 Favored 'General case' 0 C--N 1.349 0.567 0 CA-C-O 124.551 2.119 . . . . 0.0 111.959 -178.178 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 33.7 tptt -128.27 117.04 20.78 Favored 'General case' 0 N--CA 1.441 -0.925 0 CA-C-N 109.467 -3.515 . . . . 0.0 106.137 178.615 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -52.46 154.79 2.37 Favored 'General case' 0 C--N 1.359 1.01 0 CA-C-O 123.398 1.57 . . . . 0.0 112.947 179.247 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 40.2 p -104.04 -16.07 15.4 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-N 110.246 -3.161 . . . . 0.0 111.863 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -151.48 173.88 14.05 Favored 'General case' 0 C--N 1.351 0.658 0 CA-C-N 113.413 -1.721 . . . . 0.0 110.946 -178.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -69.39 -26.88 64.86 Favored 'General case' 0 CA--C 1.546 0.827 0 CA-C-N 111.39 -2.641 . . . . 0.0 113.712 -177.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 10.1 p-10 -77.77 -21.89 51.04 Favored 'General case' 0 CA--C 1.547 0.857 0 CA-C-N 114.59 -1.186 . . . . 0.0 111.454 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -99.75 158.71 15.59 Favored 'General case' 0 C--N 1.351 0.635 0 CA-C-N 113.324 -1.762 . . . . 0.0 109.748 -179.608 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . 0.263 4.2 pp -135.81 159.2 42.38 Favored 'General case' 0 C--N 1.348 0.527 0 CA-C-N 111.935 -2.393 . . . . 0.0 110.64 176.882 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 32.0 m -86.91 159.71 18.95 Favored 'General case' 0 N--CA 1.442 -0.865 0 CA-C-N 109.27 -3.604 . . . . 0.0 112.092 -177.465 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.506 ' HB3' ' CD1' ' A' ' 41' ' ' LEU . 27.0 p90 -160.32 161.18 33.2 Favored 'General case' 0 C--O 1.219 -0.518 0 CA-C-N 109.284 -3.598 . . . . 0.0 107.497 177.566 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.84 143.15 48.05 Favored 'General case' 0 N--CA 1.447 -0.618 0 CA-C-N 112.422 -2.172 . . . . 0.0 105.728 179.478 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 30.5 ttt180 -44.69 109.75 0.18 Allowed 'General case' 0 CA--C 1.551 0.986 0 O-C-N 124.694 1.247 . . . . 0.0 112.397 178.161 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 113.4 5.73 22.54 Favored Glycine 0 CA--C 1.537 1.45 0 CA-C-N 111.063 -2.79 . . . . 0.0 114.372 179.717 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 32.1 m-20 -70.47 153.82 42.54 Favored 'General case' 0 C--N 1.367 1.331 0 C-N-CA 116.964 -1.895 . . . . 0.0 110.09 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 25.3 mm -102.44 111.96 34.05 Favored 'Isoleucine or valine' 0 C--N 1.348 0.513 0 CA-C-N 112.835 -1.984 . . . . 0.0 106.355 179.715 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.556 ' HB2' ' HB3' ' A' ' 3' ' ' ALA . 1.8 mp -104.54 168.39 9.11 Favored 'General case' 0 C--N 1.355 0.847 0 CA-C-O 123.361 1.553 . . . . 0.0 111.919 -178.018 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 30.2 tttt -134.63 105.02 6.3 Favored 'General case' 0 C--O 1.217 -0.655 0 CA-C-N 110.012 -3.267 . . . . 0.0 110.076 179.343 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 15.3 t -88.07 111.97 23.0 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.526 0 CA-C-N 113.77 -1.559 . . . . 0.0 107.058 -175.591 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.4 tt -90.88 -40.23 11.86 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-N 111.098 -2.774 . . . . 0.0 111.281 -176.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 . . . . . 0 C--N 1.352 0.706 0 CA-C-N 114.725 -1.125 . . . . 0.0 109.558 179.604 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 29.6 m-20 . . . . . 0 CA--C 1.537 0.453 0 CA-C-O 119.053 -0.499 . . . . 0.0 110.494 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 80.3 m95 -137.77 128.17 26.38 Favored 'General case' 0 C--N 1.358 0.947 0 CA-C-O 122.237 1.018 . . . . 0.0 111.317 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 10.5 m-85 -109.57 149.53 29.52 Favored 'General case' 0 C--O 1.222 -0.359 0 CA-C-N 112.142 -2.299 . . . . 0.0 107.11 178.364 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 85.1 tttt -107.12 117.05 33.05 Favored 'General case' 0 C--N 1.349 0.576 0 N-CA-C 105.728 -1.953 . . . . 0.0 105.728 176.281 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -135.89 172.82 12.46 Favored 'General case' 0 C--N 1.356 0.851 0 O-C-N 124.32 1.013 . . . . 0.0 112.338 -178.267 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -109.57 130.4 55.51 Favored 'General case' 0 C--N 1.353 0.733 0 O-C-N 125.632 1.833 . . . . 0.0 110.312 -177.581 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.506 ' CD1' ' HB3' ' A' ' 19' ' ' PHE 0.305 10.9 mt -162.76 148.34 12.2 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-N 111.737 -2.483 . . . . 0.0 112.92 177.851 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 53.74 34.64 19.44 Favored 'General case' 0 CA--C 1.548 0.897 0 CA-C-N 109.753 -3.385 . . . . 0.0 115.534 170.489 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 79.4 8.68 87.6 Favored Glycine 0 CA--C 1.538 1.528 0 CA-C-N 114.41 -1.268 . . . . 0.0 114.703 179.58 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 68.9 mmtt -135.38 174.59 10.44 Favored 'General case' 0 C--N 1.351 0.666 0 N-CA-C 107.886 -1.153 . . . . 0.0 107.886 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -144.89 125.22 13.83 Favored 'General case' 0 CA--C 1.546 0.814 0 CA-C-N 113.1 -1.864 . . . . 0.0 107.135 176.881 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -159.11 -177.1 31.89 Favored Glycine 0 C--N 1.351 1.397 0 CA-C-N 114.601 -1.181 . . . . 0.0 111.989 -177.247 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -79.79 146.84 32.08 Favored 'General case' 0 C--N 1.346 0.431 0 CA-C-O 123.004 1.383 . . . . 0.0 110.936 -179.71 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 34.6 pt -140.36 143.4 33.08 Favored Pre-proline 0 CA--C 1.542 0.648 0 CA-C-N 111.039 -2.8 . . . . 0.0 106.686 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 2.3 Cg_endo -71.23 145.2 48.23 Favored 'Trans proline' 0 C--N 1.362 1.242 0 C-N-CA 121.084 1.189 . . . . 0.0 111.002 177.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 6.6 mtpm? -71.45 -33.39 69.31 Favored 'General case' 0 C--N 1.354 0.795 0 C-N-CA 119.201 -0.999 . . . . 0.0 109.849 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.497 HD22 ' HB2' ' B' ' 3' ' ' PRO . 10.1 p-10 -66.4 -20.13 65.98 Favored 'General case' 0 CA--C 1.55 0.962 0 CA-C-N 112.573 -2.103 . . . . 0.0 113.045 179.525 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.452 ' CE1' HG22 ' B' ' 5' ' ' VAL . 8.4 m-85 -94.03 4.81 53.37 Favored 'General case' 0 CA--C 1.557 1.216 0 CA-C-O 117.669 -1.158 . . . . 0.0 113.542 177.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.711 HD12 ' HB1' ' A' ' 3' ' ' ALA . 0.1 OUTLIER -135.1 166.15 28.99 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.889 0 CA-C-O 122.968 1.366 . . . . 0.0 110.401 176.345 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.426 ' N ' ' CG1' ' A' ' 53' ' ' ILE . 2.4 tm-20 . . . . . 0 C--N 1.351 0.66 0 CA-C-N 110.624 -2.989 . . . . 0.0 106.734 177.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 7.6 p . . . . . 0 CA--C 1.547 0.845 0 N-CA-C 107.929 -1.137 . . . . 0.0 107.929 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 2' ' ' PRO . . . . . 0.413 ' HB3' ' CG ' ' A' ' 7' ' ' TYR . 1.8 Cg_endo -69.33 161.96 43.76 Favored 'Trans proline' 0 C--N 1.365 1.439 0 N-CA-C 114.416 0.891 . . . . 0.0 114.416 -179.525 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 3' ' ' PRO . . . . . 0.497 ' HB2' HD22 ' A' ' 51' ' ' ASN . 57.4 Cg_exo -50.93 162.09 1.2 Allowed 'Trans proline' 0 C--N 1.365 1.398 0 C-N-CA 124.819 3.68 . . . . 0.0 116.286 177.043 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -79.98 125.68 6.08 Favored 'Trans proline' 0 C--N 1.362 1.285 0 N-CA-C 105.321 -2.607 . . . . 0.0 105.321 175.008 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . 0.452 HG22 ' CE1' ' A' ' 52' ' ' TYR . 1.8 t -69.92 134.36 87.83 Favored Pre-proline 0 N--CA 1.439 -1.0 0 CA-C-N 111.466 -2.606 . . . . 0.0 110.57 -177.328 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 6' ' ' PRO . . . . . 0.431 ' HD3' ' HA ' ' B' ' 5' ' ' VAL . 16.8 Cg_exo -62.09 165.22 15.06 Favored 'Trans proline' 0 C--N 1.361 1.219 0 C-N-CA 121.917 1.745 . . . . 0.0 114.655 -179.565 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 70.2 Cg_endo -87.57 111.83 0.81 Allowed 'Trans proline' 0 CA--C 1.548 1.185 0 C-N-CA 121.178 1.252 . . . . 0.0 109.77 176.187 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 8' ' ' ARG . . . . . 0.436 HH11 ' HG2' ' B' ' 8' ' ' ARG . 0.1 OUTLIER . . . . . 0 C--N 1.353 0.751 0 N-CA-C 107.789 -1.189 . . . . 0.0 107.789 178.504 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.41 ' HB3' HG23 ' A' ' 27' ' ' VAL . 31.4 ttm . . . . . 0 CA--C 1.536 0.429 0 N-CA-C 106.028 -1.842 . . . . 0.0 106.028 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -92.85 125.73 37.59 Favored 'General case' 0 C--N 1.351 0.631 0 CA-C-N 114.094 -1.412 . . . . 0.0 107.659 178.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.728 ' HB1' HD12 ' A' ' 53' ' ' ILE . . . -104.03 140.26 38.0 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 111.136 -2.756 . . . . 0.0 107.304 -179.028 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 31.2 mm -137.58 116.68 14.79 Favored 'Isoleucine or valine' 0 C--N 1.348 0.525 0 CA-C-N 113.755 -1.566 . . . . 0.0 109.54 -177.153 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -66.58 119.72 12.2 Favored 'General case' 0 CA--C 1.545 0.776 0 CA-C-N 112.547 -2.115 . . . . 0.0 110.348 179.202 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.8 mtmp? -88.24 -14.46 38.41 Favored 'General case' 0 C--N 1.343 0.318 0 CA-C-N 113.712 -1.585 . . . . 0.0 111.901 179.278 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 70.9 m-85 -142.72 172.24 12.96 Favored 'General case' 0 CA--C 1.538 0.511 0 O-C-N 125.54 1.775 . . . . 0.0 110.258 179.341 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -91.87 128.09 37.58 Favored 'General case' 0 CA--C 1.544 0.737 0 CA-C-N 111.55 -2.568 . . . . 0.0 108.096 178.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 14.6 t80 -137.95 151.43 47.95 Favored 'General case' 0 C--N 1.351 0.668 0 CA-C-O 124.743 2.211 . . . . 0.0 113.542 -177.765 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.48 ' H ' ' HD2' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -135.38 106.84 6.85 Favored 'General case' 0 CA--C 1.55 0.947 0 CA-C-N 108.825 -3.807 . . . . 0.0 107.405 178.431 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -50.95 158.03 0.75 Allowed 'General case' 0 N--CA 1.47 0.539 0 CA-C-O 123.888 1.804 . . . . 0.0 113.566 -179.749 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 48.6 p -87.42 -25.91 23.54 Favored 'General case' 0 CA--C 1.549 0.932 0 CA-C-N 109.369 -3.559 . . . . 0.0 106.472 175.665 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 59.98 77.39 0.32 Allowed 'General case' 0 C--N 1.356 0.865 0 C-N-CA 128.774 2.83 . . . . 0.0 112.674 178.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . 0.255 11.5 t70 -125.37 17.75 8.26 Favored 'General case' 0 N--CA 1.438 -1.064 1 CA-C-N 106.341 -4.936 . . . . 0.0 107.679 179.628 . . . . . . . . 3 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 45.4 p30 121.79 11.14 0.0 OUTLIER 'General case' 0 C--N 1.37 1.493 0 C-N-CA 130.743 3.617 . . . . 0.0 110.83 -176.513 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 76.7 mt-10 -98.21 165.5 11.85 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 112.261 -2.245 . . . . 0.0 112.817 -177.527 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.1 pp -139.05 159.63 41.69 Favored 'General case' 0 C--N 1.354 0.764 0 CA-C-N 110.546 -3.025 . . . . 0.0 111.28 177.533 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 40.7 m -87.15 157.79 19.29 Favored 'General case' 0 N--CA 1.445 -0.721 0 CA-C-N 109.345 -3.571 . . . . 0.0 111.613 -178.055 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.436 ' HB3' ' CD1' ' A' ' 41' ' ' LEU . 29.1 p90 -160.34 150.44 18.11 Favored 'General case' 0 C--O 1.219 -0.516 0 CA-C-N 110.785 -2.916 . . . . 0.0 106.13 178.296 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 21.0 pttp -109.05 151.0 26.97 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 112.985 -1.916 . . . . 0.0 106.844 178.798 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 45.1 tpt85 -45.34 109.36 0.17 Allowed 'General case' 0 CA--C 1.554 1.122 0 CA-C-N 113.032 -1.895 . . . . 0.0 111.817 177.487 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 104.26 15.65 20.86 Favored Glycine 0 C--N 1.347 1.183 0 CA-C-N 111.907 -2.406 . . . . 0.0 115.21 178.271 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.667 ' HB3' HD21 ' A' ' 41' ' ' LEU . 60.1 m-20 -71.31 158.37 36.47 Favored 'General case' 0 C--N 1.367 1.365 0 C-N-CA 116.054 -2.258 . . . . 0.0 111.28 179.63 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 74.3 mt -102.51 105.31 17.89 Favored 'Isoleucine or valine' 0 C--N 1.351 0.636 0 CA-C-N 110.878 -2.874 . . . . 0.0 105.016 178.636 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.865 HD11 HD11 ' A' ' 41' ' ' LEU 0.262 3.0 mp -107.06 161.36 14.81 Favored 'General case' 0 N--CA 1.444 -0.75 0 CA-C-N 112.076 -2.329 . . . . 0.0 108.816 -177.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 35.3 mtpt -133.73 108.21 8.38 Favored 'General case' 0 C--O 1.22 -0.485 0 CA-C-N 112.065 -2.334 . . . . 0.0 107.585 176.524 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.426 HG22 ' HB2' ' A' ' 3' ' ' ALA . 0.0 OUTLIER -88.52 102.97 13.34 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.606 0 CA-C-O 124.668 2.175 . . . . 0.0 105.27 -177.507 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 28.7 tp -92.88 -48.72 6.4 Favored 'General case' 0 N--CA 1.443 -0.786 1 CA-C-N 107.41 -4.45 . . . . 0.0 112.759 -176.666 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 . . . . . 0 C--N 1.357 0.897 0 O-C-N 124.777 1.298 . . . . 0.0 112.278 -177.86 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.485 ' O ' ' HA ' ' A' ' 49' ' ' PRO . 87.9 m-20 . . . . . 0 N--CA 1.44 -0.941 0 N-CA-C 114.425 1.269 . . . . 0.0 114.425 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 78.0 m95 -135.86 118.23 15.71 Favored 'General case' 0 C--N 1.346 0.421 0 CA-C-O 123.509 1.623 . . . . 0.0 109.859 -179.511 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.452 ' O ' ' HA ' ' A' ' 47' ' ' PHE 0.273 13.4 m-30 -104.7 140.09 38.56 Favored 'General case' 0 C--O 1.217 -0.644 0 CA-C-N 109.569 -3.469 . . . . 0.0 110.087 179.395 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 61.7 tttm -99.79 90.02 4.3 Favored 'General case' 0 CA--C 1.535 0.383 0 N-CA-C 104.811 -2.292 . . . . 0.0 104.811 177.723 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -102.19 -173.1 2.26 Favored 'General case' 0 C--N 1.352 0.683 0 CA-C-N 112.185 -2.28 . . . . 0.0 109.805 -177.801 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -129.87 131.83 46.22 Favored 'General case' 0 C--N 1.354 0.763 0 O-C-N 125.256 1.598 . . . . 0.0 111.191 -178.117 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.865 HD11 HD11 ' A' ' 25' ' ' LEU 0.25 8.3 mt -160.29 141.98 12.6 Favored 'General case' 0 CA--C 1.496 -1.122 0 CA-C-N 111.851 -2.431 . . . . 0.0 114.111 178.442 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 57.79 29.42 17.42 Favored 'General case' 0 CA--C 1.545 0.761 0 CA-C-N 109.035 -3.712 . . . . 0.0 112.88 173.389 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 72.58 17.92 78.24 Favored Glycine 0 CA--C 1.539 1.531 0 CA-C-N 112.93 -1.941 . . . . 0.0 113.569 -179.463 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -136.5 135.24 38.39 Favored 'General case' 0 C--N 1.353 0.719 0 N-CA-C 108.091 -1.078 . . . . 0.0 108.091 -179.484 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -98.93 148.42 23.98 Favored 'General case' 0 CA--C 1.544 0.719 0 N-CA-C 106.453 -1.684 . . . . 0.0 106.453 177.144 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -176.23 167.0 38.41 Favored Glycine 0 C--N 1.339 0.705 0 C-N-CA 119.137 -1.506 . . . . 0.0 111.119 -178.085 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.452 ' HA ' ' O ' ' A' ' 37' ' ' TYR . 75.4 m-85 -79.45 140.48 37.33 Favored 'General case' 0 CA--C 1.54 0.592 0 CA-C-N 112.789 -1.706 . . . . 0.0 110.417 -179.445 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.491 ' CD1' HD23 ' A' ' 25' ' ' LEU . 45.3 pt -139.36 144.63 40.85 Favored Pre-proline 0 CA--C 1.545 0.762 0 CA-C-N 112.847 -1.979 . . . . 0.0 108.347 -179.092 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.485 ' HA ' ' O ' ' A' ' 35' ' ' ASN . 1.9 Cg_endo -66.72 140.57 56.6 Favored 'Trans proline' 0 C--N 1.364 1.357 0 C-N-CA 121.908 1.739 . . . . 0.0 114.811 -179.457 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 20.7 mtpt -70.65 -35.4 72.86 Favored 'General case' 0 C--N 1.376 1.751 0 C-N-CA 114.714 -2.794 . . . . 0.0 112.364 179.074 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 19.0 p-10 -59.1 -20.72 56.03 Favored 'General case' 0 CA--C 1.554 1.102 0 CA-C-N 114.44 -1.254 . . . . 0.0 113.851 179.523 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -92.77 -0.43 57.27 Favored 'General case' 0 CA--C 1.553 1.07 0 N-CA-C 113.824 1.046 . . . . 0.0 113.824 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.728 HD12 ' HB1' ' A' ' 3' ' ' ALA . 0.1 OUTLIER -132.34 172.97 15.49 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.128 0 CA-C-O 122.772 1.272 . . . . 0.0 111.414 -179.907 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.475 ' N ' ' CG1' ' A' ' 53' ' ' ILE . 37.2 tt0 . . . . . 0 C--N 1.354 0.784 0 C-N-CA 128.811 2.845 . . . . 0.0 107.133 177.234 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 51.0 t . . . . . 0 CA--C 1.546 0.823 0 N-CA-C 107.373 -1.343 . . . . 0.0 107.373 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -54.87 152.38 29.17 Favored 'Trans proline' 0 CA--C 1.562 1.875 0 C-N-CA 121.984 1.789 . . . . 0.0 115.936 -179.386 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_exo -48.39 158.78 0.92 Allowed 'Trans proline' 0 C--N 1.368 1.601 0 C-N-CA 125.085 3.857 . . . . 0.0 118.783 179.359 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -78.9 123.39 5.73 Favored 'Trans proline' 0 C--N 1.367 1.512 0 N-CA-C 105.666 -2.475 . . . . 0.0 105.666 175.278 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . 0.415 ' HA ' ' HD3' ' B' ' 6' ' ' PRO . 1.5 t -69.01 137.66 89.76 Favored Pre-proline 0 CA--C 1.547 0.833 0 CA-C-N 111.465 -2.607 . . . . 0.0 112.668 -176.244 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 6' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' B' ' 5' ' ' VAL . 26.6 Cg_exo -64.1 162.45 29.52 Favored 'Trans proline' 0 C--N 1.366 1.456 0 C-N-CA 121.786 1.657 . . . . 0.0 113.023 179.01 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_endo -80.77 115.97 3.13 Favored 'Trans proline' 0 CA--C 1.547 1.15 0 N-CA-C 107.755 -1.671 . . . . 0.0 107.755 175.286 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 2.3 ppt_? . . . . . 0 C--N 1.356 0.866 0 C-N-CA 119.313 -0.955 . . . . 0.0 108.973 178.972 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.459 ' O ' HG22 ' A' ' 27' ' ' VAL . 55.0 tpp . . . . . 0 N--CA 1.441 -0.914 0 N-CA-C 103.782 -2.673 . . . . 0.0 103.782 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -78.51 143.17 36.83 Favored 'General case' 0 C--N 1.351 0.644 0 CA-C-N 113.415 -1.72 . . . . 0.0 108.931 -178.291 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.637 ' HB1' ' CD1' ' A' ' 53' ' ' ILE . . . -134.87 135.85 41.97 Favored 'General case' 0 N--CA 1.444 -0.769 0 CA-C-N 110.186 -3.188 . . . . 0.0 103.634 -179.136 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 4.0 mp -138.94 129.02 32.17 Favored 'Isoleucine or valine' 0 C--N 1.346 0.448 0 O-C-N 124.177 0.923 . . . . 0.0 110.861 -175.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -67.09 121.45 15.62 Favored 'General case' 0 CA--C 1.549 0.916 0 CA-C-N 113.893 -1.503 . . . . 0.0 110.117 178.58 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 28.0 mtpp -88.67 -25.46 22.37 Favored 'General case' 0 C--N 1.346 0.413 0 CA-C-N 114.181 -1.372 . . . . 0.0 113.276 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -139.83 173.65 11.32 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 112.028 -2.351 . . . . 0.0 109.879 -178.5 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 -82.96 128.08 34.13 Favored 'General case' 0 C--N 1.347 0.458 0 CA-C-N 110.597 -3.001 . . . . 0.0 107.182 179.653 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 19.8 t80 -138.66 155.71 48.05 Favored 'General case' 0 C--N 1.35 0.624 0 CA-C-O 124.39 2.043 . . . . 0.0 112.121 -178.728 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.45 ' H ' ' HD3' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -133.51 125.03 28.05 Favored 'General case' 0 CA--C 1.543 0.689 0 CA-C-N 109.36 -3.563 . . . . 0.0 108.243 178.568 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -51.28 161.58 0.42 Allowed 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 113.236 -1.802 . . . . 0.0 113.406 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -108.83 46.86 0.94 Allowed 'General case' 0 CA--C 1.544 0.733 0 CA-C-N 111.811 -2.449 . . . . 0.0 107.672 177.219 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 77.14 159.88 0.21 Allowed 'General case' 0 C--O 1.212 -0.911 0 CA-C-N 109.318 -3.583 . . . . 0.0 108.36 -178.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -6.91 -41.89 0.0 OUTLIER 'General case' 0 CA--C 1.551 1.0 1 C-N-CA 132.891 4.476 . . . . 0.0 118.037 -178.465 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 24.8 p-10 -63.05 -33.26 75.05 Favored 'General case' 0 CA--C 1.554 1.116 0 CA-C-O 123.511 1.624 . . . . 0.0 111.145 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -102.73 156.19 17.8 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-N 110.947 -2.842 . . . . 0.0 108.256 177.307 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . 0.267 3.9 pp -134.45 152.28 51.69 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 112.215 -2.266 . . . . 0.0 107.943 176.827 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 42.2 m -85.78 160.85 19.38 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 111.117 -2.765 . . . . 0.0 112.386 -175.528 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 33.7 p90 -160.18 148.35 16.77 Favored 'General case' 0 C--N 1.346 0.441 0 CA-C-N 111.202 -2.726 . . . . 0.0 106.463 177.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.34 146.08 32.03 Favored 'General case' 0 N--CA 1.447 -0.58 0 N-CA-C 104.847 -2.279 . . . . 0.0 104.847 178.5 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 19.6 ttm180 -46.94 115.44 1.07 Allowed 'General case' 0 CA--C 1.55 0.946 0 CA-C-N 114.208 -1.36 . . . . 0.0 111.37 177.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 112.23 -3.59 26.8 Favored Glycine 0 CA--C 1.528 0.871 0 CA-C-N 112.46 -2.155 . . . . 0.0 113.292 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 32.3 m-20 -72.85 150.37 42.74 Favored 'General case' 0 C--N 1.369 1.438 0 C-N-CA 115.785 -2.366 . . . . 0.0 109.05 179.775 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 46.7 mm -101.46 123.87 54.84 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.382 0 CA-C-N 112.64 -2.073 . . . . 0.0 106.708 179.675 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.619 ' HB2' ' HB3' ' A' ' 3' ' ' ALA 0.27 1.5 mm? -105.97 166.1 10.73 Favored 'General case' 0 N--CA 1.443 -0.823 0 CA-C-N 112.053 -2.34 . . . . 0.0 110.238 -178.952 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 12.5 ttpt -136.25 112.82 10.05 Favored 'General case' 0 C--O 1.217 -0.619 0 CA-C-N 108.847 -3.797 . . . . 0.0 109.167 178.394 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.459 HG22 ' O ' ' A' ' 1' ' ' MET . 2.8 m -88.33 125.98 41.65 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.222 0 CA-C-O 123.885 1.802 . . . . 0.0 110.697 -175.356 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 49.0 tp -91.7 -59.22 2.18 Favored 'General case' 0 C--N 1.349 0.567 0 CA-C-N 109.657 -3.429 . . . . 0.0 111.272 -177.255 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 83.6 m-20 . . . . . 0 C--N 1.352 0.716 0 O-C-N 125.302 1.626 . . . . 0.0 109.652 -179.211 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 13.5 m120 . . . . . 0 N--CA 1.445 -0.71 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 57.8 m95 -137.99 137.79 38.24 Favored 'General case' 0 C--N 1.359 1.011 0 O-C-N 123.992 0.808 . . . . 0.0 109.284 179.571 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 32.8 m-85 -106.98 143.39 35.15 Favored 'General case' 0 C--N 1.347 0.499 0 CA-C-N 113.412 -1.722 . . . . 0.0 107.888 178.694 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.4 ttmp? -101.42 92.58 4.99 Favored 'General case' 0 C--N 1.35 0.59 0 N-CA-C 105.895 -1.891 . . . . 0.0 105.895 177.611 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -103.7 -174.17 2.48 Favored 'General case' 0 C--N 1.355 0.843 0 CA-C-N 113.616 -1.629 . . . . 0.0 111.359 -177.652 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -125.82 134.51 51.65 Favored 'General case' 0 C--N 1.358 0.975 0 O-C-N 125.528 1.768 . . . . 0.0 110.795 -178.209 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.564 HD11 HD11 ' A' ' 25' ' ' LEU 0.303 10.4 mt -162.51 144.72 10.81 Favored 'General case' 0 C--N 1.352 0.703 0 CA-C-N 110.136 -3.211 . . . . 0.0 113.551 178.253 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 54.72 37.89 29.1 Favored 'General case' 0 CA--C 1.543 0.683 0 CA-C-N 110.199 -3.182 . . . . 0.0 114.748 170.811 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 72.52 13.88 77.58 Favored Glycine 0 CA--C 1.54 1.629 0 CA-C-N 113.764 -1.562 . . . . 0.0 114.127 -179.774 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 55.3 mtmt -134.09 178.42 6.98 Favored 'General case' 0 C--N 1.354 0.788 0 CA-C-O 122.141 0.972 . . . . 0.0 108.769 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 12.8 p-10 -142.52 135.95 28.84 Favored 'General case' 0 CA--C 1.543 0.686 0 CA-C-N 112.251 -2.25 . . . . 0.0 106.588 178.746 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -167.77 175.69 42.61 Favored Glycine 0 C--N 1.346 1.129 0 C-N-CA 118.821 -1.657 . . . . 0.0 111.547 -176.663 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 80.3 m-85 -79.84 138.86 37.31 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 111.803 -2.198 . . . . 0.0 111.996 -179.169 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 31.6 pt -136.42 135.17 20.38 Favored Pre-proline 0 CA--C 1.544 0.716 0 CA-C-N 111.693 -2.503 . . . . 0.0 105.813 179.372 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.43 ' HB3' ' HD2' ' B' ' 6' ' ' PRO . 4.4 Cg_endo -68.4 137.27 39.26 Favored 'Trans proline' 0 C--N 1.363 1.328 0 C-N-CA 121.295 1.33 . . . . 0.0 112.884 -178.415 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.43 -16.25 62.38 Favored 'General case' 0 C--N 1.356 0.876 0 C-N-CA 116.127 -2.229 . . . . 0.0 114.331 -179.042 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . 0.257 0.8 OUTLIER -82.17 -13.78 56.63 Favored 'General case' 0 C--N 1.359 1.01 0 C-N-CA 118.081 -1.447 . . . . 0.0 111.221 177.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.478 ' CE1' HG22 ' B' ' 5' ' ' VAL . 8.7 m-85 -93.42 -2.12 54.97 Favored 'General case' 0 C--N 1.356 0.851 0 C-N-CA 118.985 -1.086 . . . . 0.0 112.218 177.714 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.637 ' CD1' ' HB1' ' A' ' 3' ' ' ALA . 0.0 OUTLIER -134.33 159.09 42.19 Favored 'Isoleucine or valine' 0 C--N 1.36 1.062 0 CA-C-O 122.46 1.124 . . . . 0.0 112.828 179.868 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.431 ' N ' HG13 ' A' ' 53' ' ' ILE . 39.9 tt0 . . . . . 0 C--N 1.357 0.931 0 CA-C-N 111.437 -2.619 . . . . 0.0 105.389 175.204 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 96.4 t . . . . . 0 CA--C 1.551 1.001 0 N-CA-C 112.62 0.6 . . . . 0.0 112.62 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -50.37 150.85 10.6 Favored 'Trans proline' 0 CA--C 1.559 1.752 0 C-N-CA 122.247 1.964 . . . . 0.0 115.745 -179.194 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_exo -52.73 161.23 3.21 Favored 'Trans proline' 0 C--N 1.367 1.53 0 C-N-CA 124.297 3.331 . . . . 0.0 117.202 179.356 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -79.13 122.51 5.28 Favored 'Trans proline' 0 C--N 1.365 1.433 0 N-CA-C 106.254 -2.249 . . . . 0.0 106.254 175.092 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . 0.478 HG22 ' CE1' ' A' ' 52' ' ' TYR . 2.1 t -68.21 139.41 92.46 Favored Pre-proline 0 CA--C 1.546 0.826 0 CA-C-N 111.651 -2.522 . . . . 0.0 111.83 -176.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 6' ' ' PRO . . . . . 0.43 ' HD2' ' HB3' ' A' ' 49' ' ' PRO . 27.4 Cg_exo -61.42 158.56 35.44 Favored 'Trans proline' 0 C--N 1.363 1.314 0 C-N-CA 121.515 1.477 . . . . 0.0 114.116 178.672 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -82.39 112.48 2.21 Favored 'Trans proline' 0 CA--C 1.544 1.023 0 N-CA-C 108.946 -1.213 . . . . 0.0 108.946 176.56 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 4.9 ppt_? . . . . . 0 C--N 1.351 0.645 0 CA-C-N 115.097 -0.956 . . . . 0.0 109.074 179.438 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.7 ptt? . . . . . 0 CA--C 1.53 0.192 0 CA-C-O 121.27 0.557 . . . . 0.0 109.529 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 20.5 tp10 -76.42 158.0 31.76 Favored 'General case' 0 C--N 1.354 0.771 0 N-CA-C 106.432 -1.692 . . . . 0.0 106.432 179.019 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.564 ' HB1' ' CD1' ' A' ' 53' ' ' ILE . . . -140.55 133.95 29.87 Favored 'General case' 0 N--CA 1.451 -0.394 0 N-CA-C 105.431 -2.063 . . . . 0.0 105.431 178.428 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 19.4 mt -144.26 127.46 11.95 Favored 'Isoleucine or valine' 0 C--N 1.345 0.384 0 CA-C-N 114.737 -1.12 . . . . 0.0 109.967 -176.029 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.406 ' HB3' ' H ' ' A' ' 22' ' ' GLY . . . -67.12 120.05 13.07 Favored 'General case' 0 CA--C 1.543 0.683 0 CA-C-N 112.0 -2.364 . . . . 0.0 109.795 178.163 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 30.7 mtmt -86.9 -22.93 25.39 Favored 'General case' 0 C--N 1.342 0.263 0 CA-C-N 113.626 -1.624 . . . . 0.0 109.616 178.535 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 89.0 m-85 -141.31 173.28 11.64 Favored 'General case' 0 C--N 1.348 0.505 0 O-C-N 126.173 2.171 . . . . 0.0 111.356 -179.458 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 -81.82 126.9 32.41 Favored 'General case' 0 C--N 1.347 0.478 0 CA-C-N 109.551 -3.477 . . . . 0.0 107.692 179.466 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 17.3 t80 -139.02 142.56 38.26 Favored 'General case' 0 C--N 1.348 0.517 0 CA-C-O 123.92 1.819 . . . . 0.0 111.376 -179.413 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 16.0 tptp -130.21 101.61 5.86 Favored 'General case' 0 N--CA 1.443 -0.778 0 CA-C-N 110.158 -3.201 . . . . 0.0 106.647 178.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -53.48 157.71 2.01 Favored 'General case' 0 C--N 1.358 0.969 0 CA-C-O 123.6 1.667 . . . . 0.0 112.777 179.229 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -86.23 -25.53 25.54 Favored 'General case' 0 CA--C 1.547 0.865 0 CA-C-N 109.903 -3.317 . . . . 0.0 105.852 175.114 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 63.48 78.75 0.28 Allowed 'General case' 0 C--N 1.355 0.81 0 CA-C-N 111.145 -2.752 . . . . 0.0 111.361 -179.608 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.55 ' HB3' HH21 ' B' ' 8' ' ' ARG . 1.0 OUTLIER -123.42 11.96 9.35 Favored 'General case' 0 N--CA 1.44 -0.971 1 CA-C-N 105.664 -5.243 . . . . 0.0 108.344 178.844 . . . . . . . . 4 4 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 57.1 p30 127.99 -0.22 0.0 OUTLIER 'General case' 0 C--N 1.362 1.138 0 C-N-CA 130.082 3.353 . . . . 0.0 109.238 -175.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -96.97 155.2 16.88 Favored 'General case' 0 C--N 1.349 0.556 0 CA-C-N 112.383 -2.189 . . . . 0.0 110.945 -177.803 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.0 pp -131.94 157.31 44.37 Favored 'General case' 0 N--CA 1.476 0.836 0 CA-C-N 110.884 -2.871 . . . . 0.0 110.96 178.243 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 39.7 m -86.17 155.12 20.88 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-N 109.379 -3.555 . . . . 0.0 112.157 -176.254 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 29.8 p90 -160.49 146.94 15.42 Favored 'General case' 0 C--N 1.345 0.405 0 CA-C-N 110.236 -3.165 . . . . 0.0 106.587 178.793 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 24.7 mtmt -105.67 148.29 27.55 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-N 112.512 -2.131 . . . . 0.0 106.031 179.272 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 18.2 ttp180 -46.75 110.41 0.28 Allowed 'General case' 0 CA--C 1.549 0.922 0 CA-C-N 113.591 -1.641 . . . . 0.0 112.5 178.408 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.406 ' H ' ' HB3' ' A' ' 5' ' ' ALA . . . 108.18 9.99 26.74 Favored Glycine 0 CA--C 1.532 1.145 0 CA-C-N 111.919 -2.4 . . . . 0.0 114.547 179.34 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 34.8 m-20 -70.54 156.54 39.28 Favored 'General case' 0 C--N 1.367 1.347 0 C-N-CA 116.49 -2.084 . . . . 0.0 109.398 179.706 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 37.5 mm -103.5 110.71 30.73 Favored 'Isoleucine or valine' 0 C--N 1.348 0.53 0 CA-C-N 112.709 -2.041 . . . . 0.0 106.203 179.012 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.561 ' HB2' ' HB3' ' A' ' 3' ' ' ALA . 4.1 mp -110.0 168.88 9.1 Favored 'General case' 0 C--N 1.349 0.544 0 CA-C-N 112.196 -2.275 . . . . 0.0 110.318 -177.67 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 13.4 tmtt? -136.59 109.24 7.48 Favored 'General case' 0 C--O 1.217 -0.64 0 CA-C-N 110.442 -3.072 . . . . 0.0 109.675 178.571 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.45 HG22 ' HB2' ' A' ' 3' ' ' ALA . 0.1 OUTLIER -89.66 114.83 28.19 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.46 0 CA-C-O 123.578 1.656 . . . . 0.0 109.642 -175.269 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.6 tt -90.74 -38.35 13.09 Favored 'General case' 0 CA--C 1.549 0.919 0 CA-C-N 109.407 -3.542 . . . . 0.0 112.01 -176.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 5.7 p-10 . . . . . 0 C--N 1.36 1.04 0 CA-C-O 122.755 1.264 . . . . 0.0 112.778 179.959 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 31.0 m-20 . . . . . 0 CA--C 1.54 0.567 0 CA-C-O 119.382 -0.342 . . . . 0.0 110.65 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 86.0 m95 -137.21 140.73 41.92 Favored 'General case' 0 C--N 1.36 1.053 0 CA-C-O 122.336 1.065 . . . . 0.0 111.276 -179.155 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.401 ' O ' ' HA ' ' A' ' 47' ' ' PHE 0.255 18.4 m-85 -105.47 175.07 5.62 Favored 'General case' 0 C--O 1.218 -0.558 0 N-CA-C 104.977 -2.231 . . . . 0.0 104.977 176.77 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 83.2 tttt -135.87 89.57 2.5 Favored 'General case' 0 CA--C 1.538 0.488 0 N-CA-C 104.11 -2.552 . . . . 0.0 104.11 175.346 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -105.32 -172.0 2.02 Favored 'General case' 0 C--N 1.356 0.888 0 CA-C-N 114.42 -1.264 . . . . 0.0 112.369 -177.12 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 51.6 tt0 -130.76 135.0 47.36 Favored 'General case' 0 C--N 1.355 0.838 0 CA-C-N 113.11 -1.859 . . . . 0.0 109.322 -179.623 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.402 HD11 HD21 ' A' ' 25' ' ' LEU 0.302 12.4 mt -160.23 135.66 8.15 Favored 'General case' 0 CA--C 1.499 -0.996 0 CA-C-N 111.816 -2.447 . . . . 0.0 113.894 179.509 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 57.37 31.45 20.19 Favored 'General case' 0 CA--C 1.549 0.911 0 CA-C-N 110.193 -3.185 . . . . 0.0 113.353 171.843 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 75.25 15.43 81.16 Favored Glycine 0 C--N 1.354 1.563 0 CA-C-N 113.063 -1.881 . . . . 0.0 114.084 -179.668 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 57.9 mtpt -135.41 131.03 35.76 Favored 'General case' 0 C--N 1.354 0.775 0 N-CA-C 109.152 -0.685 . . . . 0.0 109.152 -179.413 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -98.14 146.1 25.92 Favored 'General case' 0 CA--C 1.544 0.724 0 N-CA-C 106.937 -1.505 . . . . 0.0 106.937 177.783 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -178.61 170.9 43.05 Favored Glycine 0 C--N 1.343 0.95 0 C-N-CA 119.103 -1.522 . . . . 0.0 112.119 -177.791 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.401 ' HA ' ' O ' ' A' ' 37' ' ' TYR . 76.9 m-85 -80.85 143.38 32.8 Favored 'General case' 0 C--N 1.349 0.568 0 CA-C-N 112.211 -1.994 . . . . 0.0 110.969 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 26.9 pt -140.23 142.27 29.29 Favored Pre-proline 0 CA--C 1.543 0.687 0 CA-C-N 110.978 -2.828 . . . . 0.0 106.082 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -71.92 143.63 41.35 Favored 'Trans proline' 0 C--N 1.361 1.197 0 C-N-CA 121.192 1.261 . . . . 0.0 112.698 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 83.2 mttt -71.71 -26.84 62.66 Favored 'General case' 0 C--N 1.355 0.816 0 C-N-CA 118.495 -1.282 . . . . 0.0 111.936 -179.501 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . 0.303 1.2 p-10 -75.84 -12.36 60.15 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 117.809 -1.556 . . . . 0.0 112.56 178.56 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.4 ' CE1' HG22 ' B' ' 5' ' ' VAL . 8.8 m-85 -94.1 -8.46 39.56 Favored 'General case' 0 C--N 1.357 0.92 0 C-N-CA 118.986 -1.086 . . . . 0.0 113.759 177.513 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.564 ' CD1' ' HB1' ' A' ' 3' ' ' ALA . 0.1 OUTLIER -133.12 171.26 18.44 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.189 0 CA-C-O 122.739 1.257 . . . . 0.0 110.793 -179.78 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.485 ' N ' HG13 ' A' ' 53' ' ' ILE . 27.9 tt0 . . . . . 0 CA--C 1.551 0.985 0 C-N-CA 128.923 2.889 . . . . 0.0 104.499 175.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 61.5 t . . . . . 0 CA--C 1.54 0.595 0 N-CA-C 107.056 -1.461 . . . . 0.0 107.056 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 5.9 Cg_endo -68.09 163.46 35.85 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 122.827 0.909 . . . . 0.0 114.015 -179.163 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 69.9 Cg_exo -37.63 154.94 0.03 OUTLIER 'Trans proline' 0 C--N 1.367 1.542 0 C-N-CA 125.134 3.889 . . . . 0.0 118.928 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -75.43 120.4 5.92 Favored 'Trans proline' 0 C--N 1.365 1.407 0 N-CA-C 106.032 -2.334 . . . . 0.0 106.032 175.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . 0.4 HG22 ' CE1' ' A' ' 52' ' ' TYR . 2.6 t -66.07 137.86 95.97 Favored Pre-proline 0 CA--C 1.548 0.898 0 CA-C-N 112.092 -2.322 . . . . 0.0 110.474 -177.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 12.9 Cg_exo -60.16 156.82 37.78 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 123.256 1.134 . . . . 0.0 113.123 179.546 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -77.21 111.33 3.18 Favored 'Trans proline' 0 C--N 1.357 1.015 0 N-CA-C 108.549 -1.366 . . . . 0.0 108.549 177.082 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 8' ' ' ARG . . . . . 0.55 HH21 ' HB3' ' A' ' 14' ' ' ASP . 33.4 ttp85 . . . . . 0 C--N 1.351 0.667 0 CA-C-O 123.056 1.408 . . . . 0.0 108.503 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 57.9 ttp . . . . . 0 CA--C 1.537 0.464 0 CA-C-O 121.728 0.775 . . . . 0.0 110.644 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -88.68 115.46 26.23 Favored 'General case' 0 C--N 1.358 0.97 0 CA-C-N 112.41 -2.177 . . . . 0.0 108.782 179.359 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.648 ' HB1' HD12 ' A' ' 53' ' ' ILE . . . -103.02 142.22 34.47 Favored 'General case' 0 C--N 1.348 0.541 0 CA-C-N 111.675 -2.511 . . . . 0.0 109.465 -179.461 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.416 ' H ' HG13 ' A' ' 53' ' ' ILE . 16.2 mt -147.55 110.73 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.35 0.616 0 CA-C-N 112.47 -2.15 . . . . 0.0 107.796 -178.326 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -65.7 128.28 35.32 Favored 'General case' 0 CA--C 1.545 0.764 0 CA-C-O 122.378 1.085 . . . . 0.0 110.12 179.778 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 5.7 mtmp? -87.78 -25.89 23.14 Favored 'General case' 0 C--O 1.221 -0.41 0 CA-C-N 112.545 -2.116 . . . . 0.0 110.912 179.428 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 91.3 m-85 -138.09 166.59 23.75 Favored 'General case' 0 C--N 1.347 0.495 0 CA-C-O 123.751 1.738 . . . . 0.0 109.734 -179.112 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -85.19 132.96 34.21 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 109.608 -3.451 . . . . 0.0 106.622 179.352 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 21.2 t80 -139.24 157.89 45.12 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 111.966 -2.379 . . . . 0.0 111.214 -178.151 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.2 tppp? -134.13 118.83 18.13 Favored 'General case' 0 N--CA 1.442 -0.873 1 CA-C-N 108.391 -4.004 . . . . 0.0 106.019 178.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -50.18 154.09 1.28 Allowed 'General case' 0 C--N 1.359 1.001 0 CA-C-O 123.47 1.605 . . . . 0.0 113.003 179.101 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -104.01 -17.85 14.81 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-N 109.888 -3.324 . . . . 0.0 112.173 -179.164 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -151.96 175.98 11.96 Favored 'General case' 0 C--N 1.35 0.612 0 CA-C-N 114.212 -1.358 . . . . 0.0 109.148 -179.727 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -70.91 -27.69 63.97 Favored 'General case' 0 CA--C 1.547 0.832 0 CA-C-N 111.543 -2.571 . . . . 0.0 112.94 -178.598 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -80.0 -20.35 45.65 Favored 'General case' 0 CA--C 1.547 0.849 0 CA-C-N 115.06 -0.973 . . . . 0.0 110.731 178.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -97.82 155.18 17.17 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-N 113.484 -1.689 . . . . 0.0 108.01 178.226 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.3 pp -135.68 164.39 27.98 Favored 'General case' 0 C--N 1.351 0.674 0 CA-C-N 111.753 -2.476 . . . . 0.0 109.945 177.185 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 50.6 m -87.1 158.27 19.22 Favored 'General case' 0 N--CA 1.438 -1.071 0 CA-C-N 108.639 -3.891 . . . . 0.0 112.484 -176.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 24.7 p90 -159.5 151.82 21.09 Favored 'General case' 0 C--O 1.222 -0.356 0 CA-C-N 109.339 -3.573 . . . . 0.0 105.772 177.673 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 18.3 mmtt -110.77 146.23 36.73 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 112.846 -1.979 . . . . 0.0 106.513 -179.663 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 12.5 ttt85 -46.18 111.75 0.4 Allowed 'General case' 0 CA--C 1.554 1.116 0 O-C-N 124.798 1.311 . . . . 0.0 112.468 178.355 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 106.09 11.58 27.58 Favored Glycine 0 CA--C 1.532 1.128 0 CA-C-N 111.473 -2.603 . . . . 0.0 114.401 179.08 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 40.6 m-20 -79.11 144.44 34.54 Favored 'General case' 0 C--N 1.366 1.313 0 C-N-CA 116.133 -2.227 . . . . 0.0 109.554 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 71.7 mt -100.98 124.11 54.41 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.576 0 N-CA-C 105.722 -1.955 . . . . 0.0 105.722 178.64 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.548 ' HB2' ' HB3' ' A' ' 3' ' ' ALA . 2.3 mp -114.76 161.78 17.72 Favored 'General case' 0 C--N 1.354 0.765 0 CA-C-N 113.174 -1.83 . . . . 0.0 109.628 -178.416 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 81.4 tttt -111.5 111.58 22.7 Favored 'General case' 0 C--O 1.217 -0.651 0 CA-C-N 110.301 -3.136 . . . . 0.0 110.09 178.178 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.548 HG23 ' HB2' ' A' ' 3' ' ' ALA . 70.2 t -89.79 104.26 14.95 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.362 0 N-CA-C 106.745 -1.576 . . . . 0.0 106.745 -177.596 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -90.45 -32.43 16.4 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-N 110.564 -3.016 . . . . 0.0 109.765 -177.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 43.2 t30 . . . . . 0 CA--C 1.548 0.882 0 CA-C-N 114.084 -1.417 . . . . 0.0 109.35 -179.631 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.53 ' N ' ' HZ2' ' A' ' 50' ' ' LYS . 23.2 m120 . . . . . 0 C--O 1.215 -0.718 0 CA-C-O 118.905 -0.569 . . . . 0.0 112.31 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 70.0 m95 -138.48 117.61 12.61 Favored 'General case' 0 C--N 1.345 0.404 0 C-N-CA 118.039 -1.464 . . . . 0.0 109.685 178.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.46 ' O ' ' HA ' ' A' ' 47' ' ' PHE . 24.4 m-85 -102.05 168.63 9.27 Favored 'General case' 0 C--O 1.215 -0.739 0 CA-C-N 110.677 -2.965 . . . . 0.0 106.607 177.665 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 53.1 tttm -123.89 111.94 16.66 Favored 'General case' 0 N--CA 1.448 -0.527 0 O-C-N 125.809 1.943 . . . . 0.0 106.334 179.399 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -133.9 -179.1 5.33 Favored 'General case' 0 C--N 1.352 0.698 0 CA-C-N 114.277 -1.329 . . . . 0.0 110.553 -177.494 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -122.98 150.38 43.07 Favored 'General case' 0 C--N 1.354 0.795 0 CA-C-O 123.804 1.764 . . . . 0.0 111.518 -177.569 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . 0.27 12.1 mt -159.79 169.2 24.12 Favored 'General case' 0 CA--C 1.503 -0.848 0 CA-C-N 109.129 -3.668 . . . . 0.0 109.707 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . 0.308 1.0 OUTLIER 45.36 -81.85 0.0 OUTLIER 'General case' 0 N--CA 1.438 -1.03 0 CA-C-N 109.056 -3.702 . . . . 0.0 114.456 171.483 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -160.73 10.34 0.13 Allowed Glycine 0 CA--C 1.537 1.424 1 CA-C-N 108.015 -4.175 . . . . 0.0 111.584 178.677 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -137.49 139.71 40.72 Favored 'General case' 0 C--N 1.357 0.898 0 CA-C-O 122.003 0.906 . . . . 0.0 110.445 -179.736 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -102.15 138.01 39.66 Favored 'General case' 0 CA--C 1.559 1.289 0 N-CA-C 105.209 -2.145 . . . . 0.0 105.209 176.053 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -169.58 176.21 43.57 Favored Glycine 0 C--N 1.349 1.259 0 C-N-CA 119.53 -1.319 . . . . 0.0 112.775 -177.534 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.46 ' HA ' ' O ' ' A' ' 37' ' ' TYR . 96.5 m-85 -80.4 144.77 32.41 Favored 'General case' 0 C--N 1.354 0.775 0 CA-C-N 113.285 -1.457 . . . . 0.0 111.901 -179.462 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 25.5 pt -139.15 139.14 22.24 Favored Pre-proline 0 CA--C 1.553 1.082 0 CA-C-N 113.456 -1.702 . . . . 0.0 109.281 -179.611 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.513 ' HA ' ' O ' ' A' ' 35' ' ' ASN . 5.2 Cg_exo -66.89 145.11 73.34 Favored 'Trans proline' 0 CA--C 1.558 1.694 0 C-N-CA 122.296 1.997 . . . . 0.0 115.115 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.53 ' HZ2' ' N ' ' A' ' 35' ' ' ASN . 27.7 mtmm -69.49 -38.65 77.75 Favored 'General case' 0 C--N 1.378 1.843 0 C-N-CA 113.996 -3.081 . . . . 0.0 112.679 178.594 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 20.5 p-10 -58.83 -19.41 41.11 Favored 'General case' 0 CA--C 1.553 1.062 0 N-CA-C 114.42 1.267 . . . . 0.0 114.42 -179.768 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.439 ' CE1' HG22 ' B' ' 5' ' ' VAL . 12.4 m-85 -95.02 -5.95 43.36 Favored 'General case' 0 C--N 1.354 0.766 0 N-CA-C 114.263 1.209 . . . . 0.0 114.263 -179.614 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.648 HD12 ' HB1' ' A' ' 3' ' ' ALA . 0.1 OUTLIER -129.55 162.19 37.59 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.892 0 CA-C-O 123.171 1.462 . . . . 0.0 110.714 -179.355 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 . . . . . 0 N--CA 1.447 -0.617 0 CA-C-N 110.503 -3.044 . . . . 0.0 104.445 177.034 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 2.5 m . . . . . 0 N--CA 1.432 -1.338 0 N-CA-C 108.25 -1.019 . . . . 0.0 108.25 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 2' ' ' PRO . . . . . 0.45 ' HA ' ' HD3' ' B' ' 3' ' ' PRO . 53.3 Cg_exo -47.2 130.87 17.41 Favored 'Trans proline' 0 CA--C 1.578 2.686 0 N-CA-C 116.262 1.601 . . . . 0.0 116.262 -179.308 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 3' ' ' PRO . . . . . 0.45 ' HD3' ' HA ' ' B' ' 2' ' ' PRO . 88.9 Cg_exo -46.29 162.09 0.14 Allowed 'Trans proline' 0 C--N 1.38 2.211 1 C-N-CA 125.977 4.452 . . . . 0.0 119.443 -177.477 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -77.01 113.55 3.64 Favored 'Trans proline' 0 C--N 1.361 1.225 0 N-CA-C 106.552 -2.134 . . . . 0.0 106.552 175.522 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . 0.439 HG22 ' CE1' ' A' ' 52' ' ' TYR . 1.5 t -64.38 134.54 96.02 Favored Pre-proline 0 CA--C 1.56 1.336 0 CA-C-N 111.145 -2.752 . . . . 0.0 111.366 -177.118 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 6' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' B' ' 5' ' ' VAL . 38.2 Cg_exo -57.75 161.04 13.3 Favored 'Trans proline' 0 C--N 1.371 1.736 0 C-N-CA 122.47 2.114 . . . . 0.0 115.482 -179.028 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -76.65 118.0 4.71 Favored 'Trans proline' 0 C--N 1.362 1.262 0 C-N-CA 121.505 1.47 . . . . 0.0 109.64 177.288 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 8' ' ' ARG . . . . . 0.571 ' HD3' ' H ' ' B' ' 8' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.349 0.572 0 CA-C-N 113.905 -1.498 . . . . 0.0 109.016 179.675 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.4 ttt . . . . . 0 CA--C 1.537 0.447 0 N-CA-C 106.414 -1.699 . . . . 0.0 106.414 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -62.68 119.04 8.5 Favored 'General case' 0 C--N 1.354 0.792 0 CA-C-N 113.275 -1.784 . . . . 0.0 110.67 -178.36 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.614 ' HB1' HD12 ' A' ' 53' ' ' ILE . . . -107.16 145.29 32.74 Favored 'General case' 0 N--CA 1.445 -0.675 0 CA-C-N 111.262 -2.699 . . . . 0.0 109.076 179.791 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 34.2 mt -145.02 114.52 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.351 0.643 0 CA-C-N 113.836 -1.529 . . . . 0.0 109.402 -178.734 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.46 ' HB3' ' H ' ' A' ' 22' ' ' GLY . . . -66.89 122.7 18.28 Favored 'General case' 0 CA--C 1.548 0.898 0 CA-C-N 114.605 -1.18 . . . . 0.0 110.203 178.227 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 23.7 mtmm -87.02 -24.59 24.59 Favored 'General case' 0 C--N 1.344 0.356 0 CA-C-N 113.768 -1.56 . . . . 0.0 110.676 179.257 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 78.7 m-85 -140.05 169.57 17.46 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 112.915 -1.948 . . . . 0.0 110.95 -178.735 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -83.78 122.73 29.06 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-N 109.266 -3.607 . . . . 0.0 107.011 179.637 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 33.2 t80 -138.89 150.27 45.78 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 112.786 -2.006 . . . . 0.0 111.185 -178.561 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 43.0 mttp -133.03 137.54 46.49 Favored 'General case' 0 N--CA 1.446 -0.649 0 CA-C-N 110.372 -3.104 . . . . 0.0 108.524 176.413 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -51.72 142.92 13.77 Favored 'General case' 0 C--N 1.346 0.443 0 CA-C-N 111.856 -2.429 . . . . 0.0 112.085 179.388 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 69.4 p -107.49 -51.16 2.95 Favored 'General case' 0 N--CA 1.448 -0.525 0 CA-C-N 110.95 -2.841 . . . . 0.0 107.391 178.261 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -88.85 173.84 8.3 Favored 'General case' 0 N--CA 1.445 -0.676 0 CA-C-N 111.976 -2.374 . . . . 0.0 109.024 179.136 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -87.6 -20.06 26.92 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-N 110.592 -3.004 . . . . 0.0 112.536 -179.134 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 16.0 p-10 -91.58 -8.2 48.05 Favored 'General case' 0 CA--C 1.548 0.885 0 CA-C-N 113.052 -1.886 . . . . 0.0 110.307 178.485 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -99.7 156.31 17.15 Favored 'General case' 0 C--N 1.351 0.643 0 CA-C-N 112.371 -2.195 . . . . 0.0 109.12 -179.29 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.9 pp -135.74 159.24 42.26 Favored 'General case' 0 C--N 1.351 0.638 0 CA-C-N 112.358 -2.201 . . . . 0.0 110.732 178.151 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 54.8 m -86.4 155.46 20.57 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 110.623 -2.989 . . . . 0.0 112.191 -176.749 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.418 ' HB3' HD11 ' A' ' 41' ' ' LEU . 37.2 p90 -159.65 146.18 16.3 Favored 'General case' 0 C--O 1.219 -0.525 0 CA-C-N 111.39 -2.641 . . . . 0.0 107.257 178.442 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 49.8 pttt -104.86 146.65 28.7 Favored 'General case' 0 C--O 1.224 -0.265 0 CA-C-N 113.4 -1.727 . . . . 0.0 106.782 179.675 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 5.5 tmm_? -46.05 100.96 0.02 OUTLIER 'General case' 0 CA--C 1.549 0.905 0 O-C-N 125.517 1.761 . . . . 0.0 111.698 178.692 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.46 ' H ' ' HB3' ' A' ' 5' ' ' ALA . . . 125.29 -3.69 8.29 Favored Glycine 0 C--N 1.352 1.452 0 CA-C-N 113.449 -1.705 . . . . 0.0 114.993 179.479 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 -74.61 142.83 44.57 Favored 'General case' 0 C--N 1.365 1.255 0 C-N-CA 116.409 -2.116 . . . . 0.0 109.704 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 45.4 mm -100.46 116.38 43.76 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.399 0 CA-C-N 111.774 -2.466 . . . . 0.0 105.283 179.261 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.909 HD12 ' HG ' ' A' ' 41' ' ' LEU . 0.2 OUTLIER -102.83 -177.45 3.38 Favored 'General case' 0 C--N 1.35 0.629 0 CA-C-N 113.735 -1.575 . . . . 0.0 109.758 -178.337 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 12.8 mmmt -129.47 110.13 11.62 Favored 'General case' 0 C--O 1.215 -0.715 0 CA-C-N 110.074 -3.239 . . . . 0.0 107.673 179.255 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.485 HG23 ' HB2' ' A' ' 3' ' ' ALA . 9.4 t -87.95 99.05 8.23 Favored 'Isoleucine or valine' 0 C--N 1.348 0.537 0 CA-C-O 124.307 2.003 . . . . 0.0 109.413 -176.511 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.1 mp -95.18 73.21 3.37 Favored 'General case' 0 CA--C 1.546 0.808 0 CA-C-N 108.405 -3.998 . . . . 0.0 109.573 178.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 78.26 169.99 0.2 Allowed 'General case' 0 CA--C 1.553 1.089 0 CA-C-N 113.392 -1.731 . . . . 0.0 113.6 177.627 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -158.08 139.25 13.34 Favored 'General case' 0 CA--C 1.548 0.888 0 CA-C-N 110.475 -3.057 . . . . 0.0 105.951 179.196 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -157.04 112.71 2.89 Favored 'General case' 0 CA--C 1.546 0.798 0 CA-C-O 122.418 1.104 . . . . 0.0 109.101 -178.459 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 43.4 m 77.73 -42.94 0.39 Allowed 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 111.934 -2.393 . . . . 0.0 112.862 178.463 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -68.48 101.05 1.18 Allowed 'General case' 0 CA--C 1.544 0.74 0 CA-C-O 123.411 1.577 . . . . 0.0 111.141 179.72 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -106.46 60.72 0.64 Allowed 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 111.579 -2.555 . . . . 0.0 108.34 178.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 28.8 m-20 175.5 -15.46 0.0 OUTLIER 'General case' 0 CA--C 1.543 0.691 0 CA-C-N 109.971 -3.286 . . . . 0.0 110.841 -177.364 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.413 ' CD1' ' HD3' ' B' ' 8' ' ' ARG . 60.5 m95 -138.61 140.08 38.81 Favored 'General case' 0 C--N 1.361 1.09 0 CA-C-O 121.929 0.871 . . . . 0.0 110.986 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.438 ' O ' ' HA ' ' A' ' 47' ' ' PHE . 11.8 m-85 -104.33 172.58 6.72 Favored 'General case' 0 C--O 1.218 -0.56 0 N-CA-C 106.079 -1.823 . . . . 0.0 106.079 177.142 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 83.9 tttt -128.21 83.64 2.17 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 103.613 -2.736 . . . . 0.0 103.613 177.011 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -105.86 -175.66 2.86 Favored 'General case' 0 C--N 1.358 0.936 0 CA-C-N 113.165 -1.834 . . . . 0.0 111.103 -176.777 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -131.11 145.0 51.83 Favored 'General case' 0 C--N 1.36 1.03 0 CA-C-O 123.394 1.569 . . . . 0.0 112.629 -178.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.909 ' HG ' HD12 ' A' ' 25' ' ' LEU 0.323 10.8 mt -160.73 137.62 8.93 Favored 'General case' 0 C--N 1.351 0.663 0 CA-C-N 109.933 -3.303 . . . . 0.0 114.051 178.732 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 55.75 32.45 19.49 Favored 'General case' 0 CA--C 1.545 0.785 0 CA-C-N 110.618 -2.992 . . . . 0.0 114.387 170.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 75.2 17.57 80.2 Favored Glycine 0 C--N 1.354 1.562 0 CA-C-N 113.478 -1.692 . . . . 0.0 113.76 -179.69 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 28.9 mtpp -136.03 131.49 35.02 Favored 'General case' 0 C--N 1.353 0.74 0 N-CA-C 108.427 -0.953 . . . . 0.0 108.427 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -98.65 144.43 27.93 Favored 'General case' 0 CA--C 1.546 0.799 0 N-CA-C 105.095 -2.187 . . . . 0.0 105.095 177.327 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -173.41 172.34 45.12 Favored Glycine 0 C--N 1.343 0.939 0 C-N-CA 119.269 -1.443 . . . . 0.0 112.0 -178.22 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.438 ' HA ' ' O ' ' A' ' 37' ' ' TYR . 99.3 m-85 -81.05 138.93 35.98 Favored 'General case' 0 C--N 1.347 0.461 0 CA-C-N 112.127 -2.037 . . . . 0.0 111.863 -179.426 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 47.2 pt -139.27 138.26 20.43 Favored Pre-proline 0 CA--C 1.545 0.788 0 CA-C-N 112.256 -2.247 . . . . 0.0 107.191 179.45 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -66.49 140.34 57.08 Favored 'Trans proline' 0 C--N 1.365 1.409 0 C-N-CA 121.624 1.549 . . . . 0.0 112.888 -179.64 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 84.4 mttt -72.1 -22.86 61.29 Favored 'General case' 0 C--N 1.358 0.951 0 C-N-CA 119.306 -0.957 . . . . 0.0 111.471 -179.176 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.409 HD22 ' HB2' ' B' ' 3' ' ' PRO . 7.6 p-10 -77.39 -19.97 55.39 Favored 'General case' 0 CA--C 1.546 0.812 0 CA-C-N 114.024 -1.444 . . . . 0.0 112.699 179.39 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.453 ' CE1' HG22 ' B' ' 5' ' ' VAL . 8.6 m-85 -92.31 -2.47 56.39 Favored 'General case' 0 CA--C 1.551 0.998 0 C-N-CA 118.745 -1.182 . . . . 0.0 112.846 178.05 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.614 HD12 ' HB1' ' A' ' 3' ' ' ALA . 0.1 OUTLIER -130.9 159.08 43.2 Favored 'Isoleucine or valine' 0 C--N 1.358 0.972 0 CA-C-O 122.514 1.149 . . . . 0.0 110.496 179.141 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 70.5 tt0 -114.2 112.54 23.33 Favored 'General case' 0 C--N 1.35 0.602 0 CA-C-N 111.703 -2.498 . . . . 0.0 105.461 176.694 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . 0.474 ' SD ' ' N ' ' A' ' 55' ' ' MET . 2.5 mpp? -90.47 160.66 15.9 Favored 'General case' 0 C--N 1.342 0.281 0 CA-C-N 114.493 -1.231 . . . . 0.0 111.349 -179.124 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -154.52 83.53 4.04 Favored Pre-proline 0 CA--C 1.553 1.085 0 CA-C-N 112.235 -2.257 . . . . 0.0 108.951 -179.32 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 90.2 Cg_endo . . . . . 0 C--N 1.368 1.596 0 C-N-CA 122.819 2.346 . . . . 0.0 113.136 179.85 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.225 -0.204 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 87.5 t 21.7 82.35 0.13 Allowed Pre-proline 0 CA--C 1.551 0.986 0 O-C-N 126.391 2.307 . . . . 0.0 112.607 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_exo -49.19 149.22 9.04 Favored 'Trans proline' 0 CA--C 1.56 1.796 0 C-N-CA 122.016 1.811 . . . . 0.0 115.283 -179.577 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' PRO . . . . . 0.409 ' HB2' HD22 ' A' ' 51' ' ' ASN . 85.6 Cg_exo -47.79 159.83 0.52 Allowed 'Trans proline' 0 C--N 1.367 1.506 0 C-N-CA 124.681 3.587 . . . . 0.0 118.071 -179.825 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 63.6 Cg_endo -80.91 120.99 3.93 Favored 'Trans proline' 0 C--N 1.363 1.318 0 N-CA-C 104.956 -2.748 . . . . 0.0 104.956 174.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . 0.453 HG22 ' CE1' ' A' ' 52' ' ' TYR . 1.8 t -66.74 137.84 95.13 Favored Pre-proline 0 CA--C 1.546 0.8 0 CA-C-N 111.479 -2.6 . . . . 0.0 110.262 -177.257 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_exo -60.4 150.51 80.37 Favored 'Trans proline' 0 C--N 1.359 1.128 0 N-CA-C 114.957 1.099 . . . . 0.0 114.957 -179.562 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -80.65 104.76 1.63 Allowed 'Trans proline' 0 C--N 1.359 1.111 0 N-CA-C 106.85 -2.019 . . . . 0.0 106.85 176.566 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . 0.603 ' HD2' ' H ' ' B' ' 9' ' ' ARG . 2.2 tpt180 -90.29 170.48 10.23 Favored 'General case' 0 CA--C 1.548 0.871 0 CA-C-N 113.409 -1.723 . . . . 0.0 110.069 -178.039 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' ARG . . . . . 0.603 ' H ' ' HD2' ' B' ' 8' ' ' ARG . 75.6 mtt85 -160.29 51.88 0.31 Allowed 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 126.332 1.853 . . . . 0.0 107.33 -179.11 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' ARG . . . . . 0.434 ' HD2' HH21 ' B' ' 8' ' ' ARG . 3.0 tpm_? -78.31 86.12 4.41 Favored 'General case' 0 C--N 1.351 0.671 0 CA-C-N 113.745 -1.57 . . . . 0.0 110.262 -179.018 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.34 0.178 0 CA-C-N 113.372 -1.74 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 32.1 tpp . . . . . 0 N--CA 1.448 -0.562 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 42.1 mm-40 -83.06 114.49 21.33 Favored 'General case' 0 C--N 1.349 0.551 0 CA-C-N 113.651 -1.613 . . . . 0.0 107.536 179.436 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.694 ' HB1' HD12 ' A' ' 53' ' ' ILE . . . -101.69 153.9 19.36 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 111.145 -2.752 . . . . 0.0 111.147 -177.505 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 63.0 mt -146.21 110.47 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.348 0.543 0 CA-C-N 112.661 -2.063 . . . . 0.0 108.728 -179.098 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -67.37 126.04 28.0 Favored 'General case' 0 CA--C 1.552 1.031 0 CA-C-N 114.7 -1.136 . . . . 0.0 108.929 177.595 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 39.6 mtmt -87.88 -23.96 23.8 Favored 'General case' 0 C--N 1.341 0.235 0 CA-C-N 113.822 -1.535 . . . . 0.0 111.818 179.676 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.563 ' CE1' ' HD3' ' B' ' 2' ' ' PRO . 64.9 m-85 -139.98 171.95 13.46 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 113.038 -1.892 . . . . 0.0 111.462 -178.251 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -85.92 133.89 33.92 Favored 'General case' 0 N--CA 1.444 -0.752 0 CA-C-N 109.127 -3.669 . . . . 0.0 104.259 177.391 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 28.1 t80 -140.41 149.06 42.15 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-N 110.134 -3.212 . . . . 0.0 110.689 -178.675 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.453 ' H ' ' HD2' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -132.79 126.4 32.29 Favored 'General case' 0 CA--C 1.537 0.481 0 CA-C-N 109.981 -3.282 . . . . 0.0 106.961 178.085 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -52.1 153.0 2.9 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-O 123.24 1.495 . . . . 0.0 112.723 179.633 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 18.2 p -109.54 -12.57 14.67 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 110.376 -3.102 . . . . 0.0 111.21 179.566 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -151.03 164.75 35.7 Favored 'General case' 0 C--N 1.349 0.55 0 CA-C-N 112.992 -1.913 . . . . 0.0 109.136 -178.651 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -66.17 -26.85 67.6 Favored 'General case' 0 CA--C 1.549 0.94 0 CA-C-N 111.944 -2.389 . . . . 0.0 112.294 -178.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -78.75 -18.59 53.98 Favored 'General case' 0 C--N 1.354 0.794 0 CA-C-N 113.828 -1.533 . . . . 0.0 112.202 179.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -98.96 158.0 15.94 Favored 'General case' 0 C--N 1.347 0.471 0 CA-C-N 113.257 -1.792 . . . . 0.0 107.736 179.65 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.51 HD12 ' O ' ' A' ' 18' ' ' SER . 0.2 OUTLIER -134.32 157.12 47.15 Favored 'General case' 0 C--N 1.35 0.588 0 CA-C-N 113.21 -1.814 . . . . 0.0 109.276 179.39 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.51 ' O ' HD12 ' A' ' 17' ' ' LEU . 49.7 m -86.81 157.88 19.48 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-N 110.78 -2.918 . . . . 0.0 111.65 -177.615 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 30.8 p90 -160.55 152.98 20.63 Favored 'General case' 0 C--O 1.22 -0.456 0 CA-C-N 111.717 -2.492 . . . . 0.0 107.147 177.163 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 39.5 mtmt -106.38 144.12 33.52 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-N 112.308 -2.224 . . . . 0.0 107.181 -179.61 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 6.1 tmm_? -45.94 102.41 0.03 OUTLIER 'General case' 0 CA--C 1.549 0.907 0 O-C-N 125.519 1.762 . . . . 0.0 111.184 177.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 123.52 -6.06 9.2 Favored Glycine 0 C--N 1.352 1.455 0 CA-C-N 113.544 -1.662 . . . . 0.0 114.596 179.592 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 71.2 m-20 -75.94 143.12 41.8 Favored 'General case' 0 C--N 1.365 1.248 0 C-N-CA 116.204 -2.198 . . . . 0.0 108.646 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 89.8 mt -98.18 126.99 51.08 Favored 'Isoleucine or valine' 0 C--N 1.341 0.206 0 N-CA-C 103.536 -2.764 . . . . 0.0 103.536 179.163 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.547 ' CD1' HD11 ' A' ' 41' ' ' LEU . 1.4 mm? -101.87 168.92 9.12 Favored 'General case' 0 CA--C 1.508 -0.661 0 CA-C-O 123.628 1.68 . . . . 0.0 110.198 -177.649 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 12.4 tmtt? -117.91 107.27 13.88 Favored 'General case' 0 C--O 1.215 -0.754 0 CA-C-N 108.593 -3.912 . . . . 0.0 108.832 -179.502 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 10.1 t -87.84 131.06 36.45 Favored 'Isoleucine or valine' 0 C--N 1.346 0.456 0 C-N-CA 116.265 -2.174 . . . . 0.0 108.173 -177.08 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 27.2 tp -143.94 80.95 1.67 Allowed 'General case' 0 N--CA 1.447 -0.612 0 CA-C-N 109.692 -3.413 . . . . 0.0 105.681 -177.265 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 80.3 m-20 86.88 170.48 0.06 Allowed 'General case' 0 C--N 1.349 0.578 0 CA-C-N 109.901 -3.318 . . . . 0.0 107.663 -177.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 80.8 mt-10 -134.19 -168.1 2.07 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 112.731 -2.032 . . . . 0.0 108.182 -179.013 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -134.98 120.7 19.49 Favored 'General case' 0 N--CA 1.432 -1.327 0 N-CA-C 102.128 -3.286 . . . . 0.0 102.128 178.685 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 60.7 m -60.57 7.86 0.03 OUTLIER 'General case' 0 CA--C 1.546 0.792 0 CA-C-N 111.861 -2.427 . . . . 0.0 114.912 -179.163 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 45.0 m-20 -93.02 19.28 8.0 Favored 'General case' 0 C--N 1.359 1.012 0 N-CA-C 114.106 1.15 . . . . 0.0 114.106 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 20.2 tt0 27.39 58.87 0.09 Allowed 'General case' 0 C--O 1.224 -0.237 0 C-N-CA 131.174 3.79 . . . . 0.0 112.692 177.061 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.419 ' H ' ' H ' ' A' ' 36' ' ' TRP . 12.6 m120 -168.15 -12.92 0.02 OUTLIER 'General case' 0 N--CA 1.442 -0.842 0 CA-C-N 109.814 -3.357 . . . . 0.0 110.46 -176.216 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.419 ' H ' ' H ' ' A' ' 35' ' ' ASN . 84.9 m95 -137.23 147.02 45.5 Favored 'General case' 0 C--N 1.357 0.898 0 CA-C-O 122.773 1.273 . . . . 0.0 110.691 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.409 ' OH ' ' SD ' ' A' ' 55' ' ' MET . 10.2 m-85 -129.59 149.71 51.23 Favored 'General case' 0 C--O 1.219 -0.519 0 CA-C-N 111.264 -2.698 . . . . 0.0 108.051 178.222 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 38.3 ttmt -103.42 116.21 31.99 Favored 'General case' 0 CA--C 1.536 0.412 0 N-CA-C 105.397 -2.075 . . . . 0.0 105.397 176.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -137.2 178.35 7.16 Favored 'General case' 0 C--N 1.351 0.663 0 C-N-CA 118.573 -1.251 . . . . 0.0 111.129 -179.425 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -129.74 146.93 51.48 Favored 'General case' 0 C--N 1.361 1.078 0 CA-C-O 123.016 1.388 . . . . 0.0 112.677 -177.261 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.547 HD11 ' CD1' ' A' ' 25' ' ' LEU 0.333 9.4 mt -161.11 138.45 9.04 Favored 'General case' 0 C--N 1.353 0.727 0 CA-C-N 110.15 -3.204 . . . . 0.0 112.681 178.66 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 56.29 28.76 13.83 Favored 'General case' 0 CA--C 1.549 0.921 0 CA-C-N 111.995 -2.366 . . . . 0.0 115.162 170.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 72.52 21.6 79.41 Favored Glycine 0 CA--C 1.541 1.695 0 CA-C-N 114.511 -1.222 . . . . 0.0 113.386 -179.468 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -137.08 114.71 11.16 Favored 'General case' 0 C--N 1.35 0.623 0 CA-C-N 113.64 -1.28 . . . . 0.0 108.118 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -97.5 137.9 35.74 Favored 'General case' 0 CA--C 1.551 0.991 0 CA-C-N 113.765 -1.561 . . . . 0.0 107.862 179.435 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -169.39 175.12 43.75 Favored Glycine 0 C--N 1.348 1.211 0 CA-C-N 113.574 -1.648 . . . . 0.0 112.493 -178.372 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -80.57 149.66 29.84 Favored 'General case' 0 CA--C 1.542 0.661 0 CA-C-N 113.622 -1.289 . . . . 0.0 111.345 179.521 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 31.2 pt -140.65 141.21 24.24 Favored Pre-proline 0 CA--C 1.549 0.923 0 CA-C-N 111.924 -2.398 . . . . 0.0 107.446 179.384 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 5.4 Cg_endo -74.06 144.79 34.44 Favored 'Trans proline' 0 C--N 1.362 1.288 0 C-N-CA 121.761 1.641 . . . . 0.0 113.1 179.447 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 36.6 mtmt -71.59 -33.19 68.82 Favored 'General case' 0 C--N 1.362 1.134 0 C-N-CA 116.431 -2.107 . . . . 0.0 112.308 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . 0.352 0.9 OUTLIER -69.34 -9.01 51.42 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 117.213 -1.795 . . . . 0.0 114.221 -179.872 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.403 ' CE1' HG22 ' B' ' 5' ' ' VAL . 15.1 m-85 -95.31 -4.76 44.96 Favored 'General case' 0 C--N 1.354 0.784 0 C-N-CA 119.407 -0.917 . . . . 0.0 112.253 177.39 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.694 HD12 ' HB1' ' A' ' 3' ' ' ALA . 0.1 OUTLIER -128.4 166.23 26.14 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.035 0 CA-C-O 123.125 1.441 . . . . 0.0 110.937 179.18 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.413 ' N ' ' CG1' ' A' ' 53' ' ' ILE . 36.1 tt0 -122.73 122.77 39.53 Favored 'General case' 0 CA--C 1.545 0.762 0 CA-C-N 110.6 -3.0 . . . . 0.0 106.132 177.475 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . 0.409 ' SD ' ' OH ' ' A' ' 37' ' ' TYR . 35.2 mtm -88.16 170.52 10.97 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-O 123.01 1.386 . . . . 0.0 112.499 -178.628 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 48.9 mtmt -155.45 94.12 2.6 Favored Pre-proline 0 CA--C 1.55 0.951 0 CA-C-N 110.856 -2.883 . . . . 0.0 108.614 178.716 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo . . . . . 0 C--N 1.366 1.485 0 C-N-CA 121.334 1.356 . . . . 0.0 110.952 178.761 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.223 -0.322 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 1' ' ' VAL . . . . . 0.542 ' N ' ' HD2' ' B' ' 2' ' ' PRO 2.308 7.5 p -16.02 -66.31 0.03 OUTLIER Pre-proline 0 CA--C 1.556 1.202 0 C-N-CA 128.023 2.529 . . . . 0.0 115.377 . . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 2' ' ' PRO . . . . . 0.563 ' HD3' ' CE1' ' A' ' 7' ' ' TYR 0.393 51.9 Cg_exo 10.25 113.21 0.0 OUTLIER 'Trans proline' 0 CA--C 1.563 1.971 1 C-N-CA 127.249 5.299 . . . . 0.0 119.74 -178.865 . . . . . . . . 4 3 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo -40.31 158.47 0.04 OUTLIER 'Trans proline' 0 C--N 1.38 2.198 1 C-N-CA 125.381 4.054 . . . . 0.0 119.272 -177.319 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_endo -73.19 112.53 3.55 Favored 'Trans proline' 0 C--N 1.359 1.131 0 N-CA-C 105.213 -2.649 . . . . 0.0 105.213 175.63 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . 0.408 HG23 ' H ' ' B' ' 5' ' ' VAL . 2.4 t -57.94 135.8 83.66 Favored Pre-proline 0 CA--C 1.546 0.822 0 CA-C-N 111.322 -2.672 . . . . 0.0 109.547 -177.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' B' ' 5' ' ' VAL . 32.3 Cg_exo -56.87 160.86 11.4 Favored 'Trans proline' 0 C--N 1.362 1.254 0 N-CA-C 115.371 1.258 . . . . 0.0 115.371 -178.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -77.23 115.93 4.06 Favored 'Trans proline' 0 C--N 1.358 1.073 0 N-CA-C 108.204 -1.499 . . . . 0.0 108.204 176.585 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.64 70.88 8.85 Favored 'General case' 0 C--N 1.35 0.618 0 CA-C-O 123.729 1.728 . . . . 0.0 106.904 178.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 7.9 ptm85 162.94 84.27 0.0 OUTLIER 'General case' 0 N--CA 1.442 -0.864 0 CA-C-N 109.518 -3.492 . . . . 0.0 106.437 -177.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -49.04 96.14 0.01 OUTLIER 'General case' 0 C--N 1.346 0.452 0 CA-C-N 112.215 -2.266 . . . . 0.0 111.075 179.564 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 112.048 -2.342 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 51.5 ttm . . . . . 0 N--CA 1.448 -0.549 0 N-CA-C 106.095 -1.817 . . . . 0.0 106.095 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -81.02 120.66 25.08 Favored 'General case' 0 C--N 1.356 0.856 0 CA-C-N 112.711 -2.041 . . . . 0.0 107.137 179.513 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.656 ' HB1' HD12 ' A' ' 53' ' ' ILE . . . -103.13 142.33 34.32 Favored 'General case' 0 CA--C 1.535 0.404 0 CA-C-N 111.434 -2.621 . . . . 0.0 108.596 -178.552 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 87.4 mt -137.85 116.24 13.66 Favored 'Isoleucine or valine' 0 C--N 1.348 0.543 0 CA-C-N 113.248 -1.796 . . . . 0.0 109.379 -176.399 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -67.28 123.02 19.18 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 113.559 -1.655 . . . . 0.0 109.586 178.214 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 35.3 mtmt -88.04 -23.43 23.77 Favored 'General case' 0 C--N 1.343 0.32 0 CA-C-N 113.678 -1.601 . . . . 0.0 110.798 179.003 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.431 ' CG ' ' HB3' ' B' ' 2' ' ' PRO . 97.1 m-85 -139.98 168.82 18.93 Favored 'General case' 0 C--N 1.348 0.529 0 CA-C-N 113.22 -1.809 . . . . 0.0 111.576 -178.575 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -85.18 129.38 34.81 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 109.906 -3.315 . . . . 0.0 107.778 179.547 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 16.5 t80 -139.05 150.96 46.36 Favored 'General case' 0 C--N 1.348 0.537 0 CA-C-N 112.098 -2.319 . . . . 0.0 112.599 -177.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.506 ' H ' ' HD3' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -136.34 115.72 12.68 Favored 'General case' 0 CA--C 1.544 0.719 0 CA-C-N 108.571 -3.922 . . . . 0.0 107.417 178.492 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -50.31 163.28 0.17 Allowed 'General case' 0 N--CA 1.477 0.896 0 CA-C-N 113.591 -1.641 . . . . 0.0 114.293 -179.771 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.0 p -108.25 -17.08 14.1 Favored 'General case' 0 C--N 1.35 0.613 0 CA-C-N 110.465 -3.061 . . . . 0.0 112.112 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -152.42 176.4 11.69 Favored 'General case' 0 C--N 1.348 0.532 0 CA-C-N 113.321 -1.763 . . . . 0.0 111.301 -178.638 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -71.43 -24.3 62.01 Favored 'General case' 0 CA--C 1.55 0.965 0 CA-C-N 110.78 -2.918 . . . . 0.0 112.43 -179.11 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -80.28 -21.94 42.14 Favored 'General case' 0 CA--C 1.547 0.84 0 CA-C-N 114.385 -1.279 . . . . 0.0 111.545 179.026 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -99.76 157.19 16.67 Favored 'General case' 0 C--N 1.349 0.577 0 CA-C-N 113.145 -1.843 . . . . 0.0 108.464 179.24 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . 0.29 3.7 pp -137.73 161.42 36.57 Favored 'General case' 0 C--N 1.351 0.669 0 CA-C-O 124.155 1.931 . . . . 0.0 111.976 177.863 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 31.1 m -86.85 150.73 23.91 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-N 109.013 -3.721 . . . . 0.0 113.37 -176.367 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 43.6 p90 -160.42 142.92 13.08 Favored 'General case' 0 C--O 1.217 -0.654 0 CA-C-N 109.564 -3.471 . . . . 0.0 106.134 178.415 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -106.3 153.39 22.25 Favored 'General case' 0 C--O 1.222 -0.384 0 N-CA-C 104.842 -2.281 . . . . 0.0 104.842 179.349 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 34.1 ttp85 -47.39 111.44 0.41 Allowed 'General case' 0 CA--C 1.547 0.864 0 O-C-N 124.776 1.298 . . . . 0.0 112.151 178.473 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 114.38 -3.85 23.5 Favored Glycine 0 C--N 1.346 1.132 0 CA-C-N 112.486 -2.143 . . . . 0.0 114.198 179.393 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -75.63 145.03 41.39 Favored 'General case' 0 C--N 1.369 1.414 0 C-N-CA 115.802 -2.359 . . . . 0.0 108.833 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -97.65 125.65 50.76 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.127 0 CA-C-N 112.342 -2.208 . . . . 0.0 107.151 178.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.62 ' HB2' ' HB3' ' A' ' 3' ' ' ALA . 0.4 OUTLIER -104.32 176.31 5.2 Favored 'General case' 0 C--N 1.352 0.68 0 CA-C-N 113.062 -1.881 . . . . 0.0 109.225 -179.287 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 48.9 tptt -130.0 109.08 10.59 Favored 'General case' 0 C--O 1.215 -0.749 0 CA-C-N 109.503 -3.499 . . . . 0.0 108.817 -178.509 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 31.3 t -88.2 116.15 29.61 Favored 'Isoleucine or valine' 0 C--N 1.344 0.333 0 C-N-CA 117.967 -1.493 . . . . 0.0 109.613 -175.591 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 49.8 tp -93.41 -54.12 3.8 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 110.235 -3.166 . . . . 0.0 110.432 -179.654 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 74.8 m-20 -137.45 152.56 49.69 Favored 'General case' 0 C--N 1.355 0.844 0 CA-C-N 113.76 -1.564 . . . . 0.0 111.679 -178.483 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 -146.0 -161.24 1.27 Allowed 'General case' 0 CA--C 1.547 0.859 0 CA-C-N 111.189 -2.732 . . . . 0.0 106.766 178.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . 0.258 9.1 pt-20 48.34 30.99 2.49 Favored 'General case' 0 C--N 1.355 0.831 0 C-N-CA 125.299 1.44 . . . . 0.0 114.752 179.776 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 90.5 m -114.0 -28.75 7.25 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 113.225 -1.807 . . . . 0.0 109.067 179.175 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -148.38 135.41 20.15 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 112.417 -2.174 . . . . 0.0 107.106 -179.476 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 3.4 mp0 -109.22 64.84 0.61 Allowed 'General case' 0 C--N 1.352 0.685 0 CA-C-N 114.074 -1.421 . . . . 0.0 109.359 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 7.0 m120 -179.11 -23.29 0.0 OUTLIER 'General case' 0 CA--C 1.545 0.786 0 CA-C-N 110.82 -2.9 . . . . 0.0 108.79 -178.266 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 68.1 m95 -133.12 161.77 33.53 Favored 'General case' 0 C--N 1.361 1.079 0 CA-C-O 122.306 1.05 . . . . 0.0 109.3 -179.295 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 -132.38 146.6 52.08 Favored 'General case' 0 C--N 1.348 0.509 0 CA-C-N 112.169 -2.287 . . . . 0.0 108.048 178.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 82.6 tttt -104.51 110.68 23.06 Favored 'General case' 0 C--N 1.35 0.627 0 N-CA-C 105.438 -2.06 . . . . 0.0 105.438 176.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -134.6 -176.45 4.23 Favored 'General case' 0 C--N 1.359 0.989 0 O-C-N 124.636 1.21 . . . . 0.0 109.921 -178.356 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 9.8 tm-20 -134.29 146.22 49.8 Favored 'General case' 0 C--N 1.363 1.153 0 CA-C-O 123.043 1.401 . . . . 0.0 112.859 -177.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.618 HD11 ' CD1' ' A' ' 25' ' ' LEU 0.351 10.6 mt -160.95 143.21 12.44 Favored 'General case' 0 C--N 1.35 0.601 0 CA-C-N 110.365 -3.107 . . . . 0.0 113.103 179.123 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 57.09 29.91 17.36 Favored 'General case' 0 CA--C 1.545 0.78 0 CA-C-N 110.969 -2.832 . . . . 0.0 115.252 171.09 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 80.56 8.96 87.0 Favored Glycine 0 C--N 1.351 1.402 0 CA-C-N 114.182 -1.372 . . . . 0.0 113.851 -179.589 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.86 135.43 39.76 Favored 'General case' 0 C--N 1.351 0.66 0 CA-C-O 121.923 0.868 . . . . 0.0 109.738 -178.627 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -97.71 144.51 27.27 Favored 'General case' 0 CA--C 1.546 0.808 0 N-CA-C 105.533 -2.025 . . . . 0.0 105.533 177.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -173.09 170.41 43.56 Favored Glycine 0 C--N 1.346 1.084 0 CA-C-N 114.174 -1.375 . . . . 0.0 112.204 -178.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -80.67 142.61 33.77 Favored 'General case' 0 C--N 1.348 0.503 0 CA-C-N 112.374 -1.913 . . . . 0.0 111.213 179.713 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 28.2 pt -138.9 142.61 34.25 Favored Pre-proline 0 CA--C 1.546 0.807 0 CA-C-N 111.114 -2.766 . . . . 0.0 106.202 179.35 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 0.9 OUTLIER -71.91 145.14 44.73 Favored 'Trans proline' 0 C--N 1.362 1.284 0 C-N-CA 121.329 1.352 . . . . 0.0 112.283 179.557 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 64.6 mttt -71.32 -24.21 62.08 Favored 'General case' 0 C--N 1.355 0.829 0 C-N-CA 118.038 -1.465 . . . . 0.0 112.538 -179.73 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.47 HD22 ' HB2' ' B' ' 3' ' ' PRO . 9.2 p-10 -76.96 -16.74 59.26 Favored 'General case' 0 CA--C 1.544 0.717 0 CA-C-N 113.969 -1.469 . . . . 0.0 113.049 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -93.7 -5.61 48.12 Favored 'General case' 0 CA--C 1.554 1.111 0 C-N-CA 118.812 -1.155 . . . . 0.0 113.304 178.687 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.656 HD12 ' HB1' ' A' ' 3' ' ' ALA . 0.1 OUTLIER -130.27 162.94 37.17 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.096 0 CA-C-O 123.26 1.505 . . . . 0.0 111.311 179.185 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -110.02 117.83 34.81 Favored 'General case' 0 CA--C 1.544 0.736 0 CA-C-N 110.261 -3.154 . . . . 0.0 106.496 176.473 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 2.8 mpp? -88.44 162.04 16.71 Favored 'General case' 0 C--N 1.346 0.446 0 CA-C-O 122.201 1.001 . . . . 0.0 109.54 179.277 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 28.1 mmmt -153.7 84.72 4.15 Favored Pre-proline 0 CA--C 1.555 1.173 0 CA-C-N 112.327 -2.215 . . . . 0.0 108.278 -179.528 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 25.3 Cg_exo . . . . . 0 C--N 1.369 1.64 0 C-N-CA 121.846 1.697 . . . . 0.0 113.352 179.278 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.223 -0.31 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 7.2 p -120.28 91.51 46.32 Favored Pre-proline 0 CA--C 1.546 0.795 0 O-C-N 125.592 1.807 . . . . 0.0 107.535 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 2' ' ' PRO . . . . . 0.431 ' HB3' ' CG ' ' A' ' 7' ' ' TYR . 1.0 OUTLIER -71.02 164.56 35.32 Favored 'Trans proline' 0 CA--C 1.552 1.388 0 N-CA-C 114.885 1.071 . . . . 0.0 114.885 -178.428 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' PRO . . . . . 0.47 ' HB2' HD22 ' A' ' 51' ' ' ASN . 71.1 Cg_exo -42.0 155.7 0.09 OUTLIER 'Trans proline' 0 C--N 1.369 1.641 1 C-N-CA 125.325 4.017 . . . . 0.0 118.143 179.556 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -76.5 121.19 5.89 Favored 'Trans proline' 0 C--N 1.364 1.386 0 N-CA-C 105.72 -2.454 . . . . 0.0 105.72 176.062 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . 0.415 ' HA ' ' HD3' ' B' ' 6' ' ' PRO . 1.8 t -68.18 135.89 91.47 Favored Pre-proline 0 N--CA 1.44 -0.969 0 CA-C-N 111.267 -2.697 . . . . 0.0 110.793 -177.211 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' B' ' 5' ' ' VAL . 24.1 Cg_exo -60.85 160.65 24.46 Favored 'Trans proline' 0 C--N 1.36 1.15 0 C-N-CA 121.322 1.348 . . . . 0.0 114.751 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -83.12 110.71 1.81 Allowed 'Trans proline' 0 CA--C 1.547 1.157 0 C-N-CA 120.926 1.084 . . . . 0.0 109.847 176.616 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.33 108.18 19.21 Favored 'General case' 0 C--N 1.349 0.578 0 N-CA-C 107.05 -1.463 . . . . 0.0 107.05 178.389 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 64.3 ttt180 -153.51 72.61 0.93 Allowed 'General case' 0 N--CA 1.425 -1.72 0 CA-C-N 111.566 -2.561 . . . . 0.0 105.096 -178.704 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 9.9 tpt180 -69.43 -10.98 60.39 Favored 'General case' 0 CA--C 1.549 0.922 0 CA-C-N 111.012 -2.813 . . . . 0.0 112.09 179.386 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.334 -0.097 0 CA-C-N 114.61 -1.177 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.7 ptt? . . . . . 0 C--O 1.226 -0.161 0 CA-C-O 122.006 0.908 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -97.18 128.22 43.87 Favored 'General case' 0 C--N 1.352 0.696 0 CA-C-N 112.104 -2.316 . . . . 0.0 108.241 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.819 ' HB3' ' HB2' ' A' ' 25' ' ' LEU . . . -109.01 142.56 39.5 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 111.124 -2.762 . . . . 0.0 105.795 179.105 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 74.6 mt -140.26 122.17 15.56 Favored 'Isoleucine or valine' 0 C--N 1.35 0.619 0 CA-C-N 115.387 -0.824 . . . . 0.0 109.502 -177.637 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.401 ' HB3' ' H ' ' A' ' 22' ' ' GLY . . . -66.43 128.23 35.39 Favored 'General case' 0 CA--C 1.555 1.138 0 CA-C-O 122.481 1.134 . . . . 0.0 110.546 178.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.4 mmpt? -87.98 -32.5 18.82 Favored 'General case' 0 C--N 1.344 0.34 0 CA-C-N 112.667 -2.061 . . . . 0.0 111.06 179.749 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 -140.43 174.02 10.92 Favored 'General case' 0 C--N 1.344 0.363 0 O-C-N 126.014 2.072 . . . . 0.0 109.801 -178.767 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 57.1 t0 -87.97 135.1 33.56 Favored 'General case' 0 C--N 1.353 0.728 0 CA-C-N 112.173 -2.285 . . . . 0.0 106.452 179.133 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 28.5 t80 -140.49 149.68 42.81 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 110.883 -2.871 . . . . 0.0 111.286 -178.612 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 47.7 mmtm -133.88 123.31 24.5 Favored 'General case' 0 N--CA 1.455 -0.213 0 CA-C-N 110.75 -2.932 . . . . 0.0 108.076 177.119 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -52.14 155.66 1.86 Allowed 'General case' 0 N--CA 1.475 0.778 0 CA-C-N 112.56 -2.109 . . . . 0.0 113.515 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -120.44 2.79 10.78 Favored 'General case' 0 CA--C 1.548 0.866 0 CA-C-N 111.868 -2.424 . . . . 0.0 110.289 178.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -152.23 162.84 40.54 Favored 'General case' 0 C--N 1.35 0.611 0 CA-C-O 123.581 1.658 . . . . 0.0 110.033 -179.387 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -68.67 -23.36 64.39 Favored 'General case' 0 CA--C 1.55 0.954 0 CA-C-N 109.814 -3.357 . . . . 0.0 111.982 179.679 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -87.69 -18.73 28.88 Favored 'General case' 0 CA--C 1.545 0.783 0 CA-C-N 114.092 -1.413 . . . . 0.0 112.108 179.717 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -101.21 156.53 17.38 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 112.806 -1.997 . . . . 0.0 108.704 179.504 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . 0.345 4.3 pp -138.1 160.89 38.2 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 113.287 -1.779 . . . . 0.0 110.507 177.351 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . 0.259 47.1 m -85.43 157.4 20.49 Favored 'General case' 0 N--CA 1.445 -0.676 0 CA-C-N 109.72 -3.4 . . . . 0.0 112.128 -176.221 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 38.2 p90 -160.16 149.43 17.57 Favored 'General case' 0 C--O 1.222 -0.366 0 CA-C-N 109.705 -3.407 . . . . 0.0 106.92 177.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 14.2 mttt -106.74 143.77 34.37 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 111.706 -2.497 . . . . 0.0 106.324 -179.613 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.9 100.89 0.02 OUTLIER 'General case' 0 CA--C 1.551 1.002 0 O-C-N 125.072 1.483 . . . . 0.0 112.157 178.049 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.401 ' H ' ' HB3' ' A' ' 5' ' ' ALA . . . 119.85 3.83 11.96 Favored Glycine 0 C--N 1.352 1.451 0 CA-C-N 113.429 -1.714 . . . . 0.0 115.121 179.271 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 50.5 m-20 -74.64 151.5 39.31 Favored 'General case' 0 C--N 1.364 1.22 0 C-N-CA 116.903 -1.919 . . . . 0.0 108.623 179.387 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 4.2 pt -100.38 120.07 49.34 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.672 0 CA-C-N 112.448 -2.16 . . . . 0.0 106.959 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.819 ' HB2' ' HB3' ' A' ' 3' ' ' ALA 0.304 0.8 OUTLIER -104.45 161.43 14.1 Favored 'General case' 0 N--CA 1.446 -0.641 0 CA-C-N 111.98 -2.373 . . . . 0.0 112.386 -178.368 . . . . . . . . 4 4 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.426 ' HB3' ' HB3' ' A' ' 40' ' ' GLU . 26.7 tptp -110.9 125.66 53.89 Favored 'General case' 0 C--O 1.213 -0.84 1 CA-C-N 108.174 -4.103 . . . . 0.0 104.523 176.394 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.549 ' CG2' ' HB2' ' A' ' 3' ' ' ALA . 87.0 t -91.8 123.08 43.79 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.581 0 C-N-CA 116.296 -2.162 . . . . 0.0 106.482 -179.741 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 61.4 tp -93.52 -69.55 0.74 Allowed 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 113.341 -1.754 . . . . 0.0 111.222 -178.556 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 14.0 t30 -126.84 136.66 52.66 Favored 'General case' 0 C--N 1.354 0.772 0 CA-C-N 113.129 -1.85 . . . . 0.0 109.193 -179.327 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -144.53 57.38 1.3 Allowed 'General case' 0 CA--C 1.541 0.632 0 CA-C-N 112.879 -1.964 . . . . 0.0 109.625 -178.683 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -154.4 49.08 0.61 Allowed 'General case' 0 C--N 1.349 0.549 0 CA-C-N 113.234 -1.803 . . . . 0.0 110.702 -178.364 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 20.5 p -141.14 -50.27 0.43 Allowed 'General case' 0 C--N 1.345 0.385 0 CA-C-N 112.508 -2.133 . . . . 0.0 109.643 179.391 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 51.7 m-20 -135.91 147.33 48.09 Favored 'General case' 0 C--N 1.352 0.682 0 CA-C-O 124.35 2.024 . . . . 0.0 111.436 -179.547 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.406 ' H ' ' HG2' ' A' ' 34' ' ' GLN . 6.7 pt20 -107.31 41.56 1.47 Allowed 'General case' 0 C--N 1.347 0.477 0 CA-C-N 108.951 -3.749 . . . . 0.0 107.862 178.703 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 28.8 m120 -158.22 -30.35 0.08 Allowed 'General case' 0 CA--C 1.546 0.823 0 CA-C-N 109.918 -3.31 . . . . 0.0 109.72 -176.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 77.8 m95 -136.21 145.43 45.68 Favored 'General case' 0 C--N 1.362 1.122 0 O-C-N 124.134 0.896 . . . . 0.0 110.146 -178.732 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 19.8 m-85 -129.93 147.19 51.67 Favored 'General case' 0 C--N 1.351 0.648 0 CA-C-N 112.944 -1.934 . . . . 0.0 108.239 179.027 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 82.4 tttt -101.43 120.94 41.05 Favored 'General case' 0 C--N 1.349 0.553 0 N-CA-C 106.063 -1.828 . . . . 0.0 106.063 177.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -133.83 165.85 24.03 Favored 'General case' 0 C--N 1.356 0.851 0 O-C-N 124.199 0.937 . . . . 0.0 111.155 -178.066 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.426 ' HB3' ' HB3' ' A' ' 26' ' ' LYS . 15.1 tt0 -105.32 134.74 47.93 Favored 'General case' 0 C--N 1.367 1.35 0 O-C-N 124.781 1.301 . . . . 0.0 111.174 -178.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.564 HD11 HD11 ' A' ' 25' ' ' LEU 0.312 9.5 mt -162.12 142.03 9.93 Favored 'General case' 0 C--N 1.354 0.769 0 CA-C-N 111.028 -2.805 . . . . 0.0 113.149 178.333 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 54.57 42.32 31.37 Favored 'General case' 0 C--N 1.35 0.594 0 CA-C-N 110.334 -3.121 . . . . 0.0 114.542 170.751 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 68.4 14.01 66.08 Favored Glycine 0 CA--C 1.537 1.451 0 CA-C-N 113.177 -1.829 . . . . 0.0 114.322 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 10.7 mtmp? -134.98 178.36 7.08 Favored 'General case' 0 C--N 1.354 0.783 0 CA-C-O 121.928 0.871 . . . . 0.0 108.733 -179.48 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -142.18 138.1 31.29 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-N 112.597 -2.092 . . . . 0.0 107.36 179.195 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -170.84 173.48 44.58 Favored Glycine 0 C--N 1.348 1.198 0 C-N-CA 118.123 -1.989 . . . . 0.0 111.949 -178.415 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -79.6 141.9 36.14 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 112.204 -1.998 . . . . 0.0 111.907 -178.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 40.0 pt -137.96 137.61 21.68 Favored Pre-proline 0 CA--C 1.544 0.717 0 CA-C-N 111.781 -2.463 . . . . 0.0 106.925 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 1.7 Cg_endo -67.85 137.61 42.12 Favored 'Trans proline' 0 C--N 1.366 1.459 0 C-N-CA 121.068 1.179 . . . . 0.0 111.808 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 15.6 ptpt -71.56 -18.87 62.22 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 116.214 -2.194 . . . . 0.0 113.577 -179.3 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . 0.299 0.6 OUTLIER -80.96 -12.72 59.34 Favored 'General case' 0 C--N 1.36 1.055 0 C-N-CA 118.787 -1.165 . . . . 0.0 111.573 178.424 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.532 ' CE1' HG22 ' B' ' 5' ' ' VAL . 9.5 m-85 -93.16 4.52 53.85 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 119.533 -0.867 . . . . 0.0 112.181 176.438 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.713 ' CD1' ' HB1' ' A' ' 3' ' ' ALA . 0.1 OUTLIER -135.03 165.91 29.73 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.208 0 CA-C-O 122.623 1.201 . . . . 0.0 111.422 178.385 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -123.32 108.74 13.09 Favored 'General case' 0 C--N 1.352 0.713 0 C-N-CA 128.464 2.706 . . . . 0.0 106.368 177.426 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . 0.502 ' SD ' HG12 ' A' ' 53' ' ' ILE . 2.7 mpp? -91.17 169.39 10.88 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-O 122.71 1.243 . . . . 0.0 111.347 -179.302 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 33.0 mmtp -154.69 90.41 3.1 Favored Pre-proline 0 CA--C 1.548 0.901 0 CA-C-N 111.257 -2.701 . . . . 0.0 106.367 178.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_endo . . . . . 0 C--N 1.369 1.623 0 C-N-CA 121.807 1.671 . . . . 0.0 112.493 -179.165 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.224 -0.239 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 59.2 t -125.14 87.03 56.07 Favored Pre-proline 0 CA--C 1.546 0.817 0 O-C-N 125.526 1.766 . . . . 0.0 107.855 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 22.6 Cg_exo -61.1 162.86 18.25 Favored 'Trans proline' 0 CA--C 1.558 1.693 0 C-N-CA 121.344 1.362 . . . . 0.0 113.99 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -45.15 157.77 0.22 Allowed 'Trans proline' 0 C--N 1.365 1.408 0 C-N-CA 125.04 3.827 . . . . 0.0 118.119 178.783 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -78.51 120.69 4.9 Favored 'Trans proline' 0 C--N 1.366 1.465 0 N-CA-C 105.93 -2.373 . . . . 0.0 105.93 175.237 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . 0.532 HG22 ' CE1' ' A' ' 52' ' ' TYR . 2.3 t -65.7 139.09 96.88 Favored Pre-proline 0 CA--C 1.546 0.801 0 CA-C-N 111.683 -2.508 . . . . 0.0 110.848 -177.311 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 26.0 Cg_exo -60.99 159.93 27.76 Favored 'Trans proline' 0 C--N 1.362 1.275 0 O-C-N 123.216 1.114 . . . . 0.0 112.421 178.195 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -76.39 110.52 3.08 Favored 'Trans proline' 0 CA--C 1.542 0.891 0 N-CA-C 107.777 -1.663 . . . . 0.0 107.777 176.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 3.4 tmt_? -65.45 142.51 58.14 Favored 'General case' 0 C--N 1.35 0.625 0 CA-C-N 114.079 -1.419 . . . . 0.0 108.529 -179.506 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 72.81 30.53 1.74 Allowed 'General case' 0 CA--C 1.547 0.843 0 CA-C-N 113.166 -1.834 . . . . 0.0 110.424 -176.828 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 43.3 mmm-85 46.0 70.03 0.41 Allowed 'General case' 0 C--N 1.349 0.557 0 CA-C-N 112.06 -2.336 . . . . 0.0 112.135 178.502 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 -0.125 0 CA-C-N 109.995 -3.275 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.6 tpt . . . . . 0 N--CA 1.446 -0.644 0 N-CA-C 106.238 -1.764 . . . . 0.0 106.238 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -76.92 151.29 35.81 Favored 'General case' 0 C--N 1.355 0.818 0 N-CA-C 105.995 -1.854 . . . . 0.0 105.995 178.351 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.524 ' HB1' ' CD1' ' A' ' 53' ' ' ILE . . . -141.78 133.76 27.46 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-N 112.723 -2.035 . . . . 0.0 106.67 179.571 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 61.4 mt -142.07 122.8 11.72 Favored 'Isoleucine or valine' 0 C--N 1.351 0.648 0 CA-C-O 121.915 0.864 . . . . 0.0 109.987 -176.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -67.34 121.63 16.14 Favored 'General case' 0 CA--C 1.551 1.007 0 CA-C-N 112.995 -1.911 . . . . 0.0 111.591 178.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 35.1 mtmt -88.33 -22.28 23.93 Favored 'General case' 0 C--N 1.346 0.451 0 CA-C-N 113.404 -1.725 . . . . 0.0 110.185 178.189 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -138.61 168.91 18.76 Favored 'General case' 0 C--N 1.347 0.484 0 CA-C-N 112.807 -1.997 . . . . 0.0 109.491 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -92.81 126.75 38.04 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 111.072 -2.786 . . . . 0.0 106.333 178.751 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 35.6 t80 -140.25 154.37 46.84 Favored 'General case' 0 C--N 1.344 0.342 0 CA-C-N 112.515 -2.13 . . . . 0.0 111.13 -178.53 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 32.9 mmtp -132.91 128.69 37.1 Favored 'General case' 0 C--O 1.224 -0.265 0 CA-C-N 110.559 -3.018 . . . . 0.0 107.51 177.535 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -51.89 156.66 1.43 Allowed 'General case' 0 C--N 1.354 0.761 0 O-C-N 125.672 1.857 . . . . 0.0 113.329 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 26.9 p -109.14 -12.15 14.84 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 109.676 -3.42 . . . . 0.0 111.527 179.586 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -151.16 167.07 28.89 Favored 'General case' 0 C--N 1.349 0.582 0 CA-C-N 112.95 -1.932 . . . . 0.0 111.465 -177.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -67.83 -22.45 65.15 Favored 'General case' 0 CA--C 1.554 1.098 0 CA-C-N 109.727 -3.397 . . . . 0.0 112.832 -179.652 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -89.6 -16.58 30.25 Favored 'General case' 0 C--N 1.357 0.929 0 CA-C-N 115.113 -0.949 . . . . 0.0 111.428 179.377 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -100.57 157.41 16.68 Favored 'General case' 0 C--N 1.349 0.573 0 CA-C-N 113.074 -1.875 . . . . 0.0 108.355 179.347 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.431 HD23 ' C ' ' A' ' 45' ' ' ASP 0.278 4.1 pp -135.71 157.99 45.51 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 112.977 -1.92 . . . . 0.0 110.675 177.42 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 51.0 m -85.86 162.24 18.71 Favored 'General case' 0 N--CA 1.445 -0.689 0 CA-C-N 109.486 -3.506 . . . . 0.0 111.979 -176.742 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.431 ' HB3' ' CD1' ' A' ' 41' ' ' LEU . 29.7 p90 -160.06 153.89 22.87 Favored 'General case' 0 C--N 1.345 0.408 0 CA-C-N 110.159 -3.2 . . . . 0.0 107.986 177.552 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 32.4 mttt -107.86 139.01 43.09 Favored 'General case' 0 N--CA 1.446 -0.629 0 CA-C-N 111.462 -2.608 . . . . 0.0 105.666 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 4.6 tmt_? -46.18 101.3 0.02 OUTLIER 'General case' 0 CA--C 1.554 1.122 0 O-C-N 124.862 1.351 . . . . 0.0 111.941 177.749 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 115.7 12.72 9.23 Favored Glycine 0 C--N 1.352 1.466 0 CA-C-N 113.458 -1.701 . . . . 0.0 115.137 179.31 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 56.6 m-20 -73.02 161.09 31.09 Favored 'General case' 0 C--N 1.363 1.183 0 C-N-CA 117.742 -1.583 . . . . 0.0 109.7 179.042 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 88.8 mt -103.04 109.17 26.07 Favored 'Isoleucine or valine' 0 C--N 1.351 0.645 0 N-CA-C 104.565 -2.383 . . . . 0.0 104.565 177.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.476 ' HB2' ' HB3' ' A' ' 3' ' ' ALA . 3.9 mp -106.94 164.81 11.82 Favored 'General case' 0 C--N 1.348 0.53 0 CA-C-N 112.894 -1.957 . . . . 0.0 109.373 -177.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 28.6 mtpt -133.19 105.81 7.22 Favored 'General case' 0 C--O 1.218 -0.556 0 CA-C-N 110.8 -2.909 . . . . 0.0 110.815 178.713 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.475 HG23 ' HB2' ' A' ' 3' ' ' ALA . 14.9 t -88.46 108.79 19.15 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.628 0 N-CA-C 104.804 -2.295 . . . . 0.0 104.804 -179.083 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 67.7 tp -90.26 -33.91 15.96 Favored 'General case' 0 N--CA 1.446 -0.625 1 CA-C-N 108.055 -4.157 . . . . 0.0 109.611 -177.393 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 5.6 p30 -162.44 178.38 8.68 Favored 'General case' 0 C--N 1.348 0.526 0 CA-C-N 113.094 -1.866 . . . . 0.0 109.383 179.77 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -160.56 135.42 7.64 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 110.648 -2.978 . . . . 0.0 104.475 178.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . 0.286 11.4 pt-20 -102.34 -139.93 0.35 Allowed 'General case' 0 C--N 1.349 0.545 0 CA-C-O 122.584 1.183 . . . . 0.0 110.948 -178.074 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 31.4 p -59.87 -35.95 75.89 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-N 111.694 -2.503 . . . . 0.0 112.263 -179.011 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -77.23 122.4 25.01 Favored 'General case' 0 C--N 1.353 0.758 0 O-C-N 124.71 1.256 . . . . 0.0 111.758 -178.862 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 19.3 tt0 -105.94 60.61 0.66 Allowed 'General case' 0 N--CA 1.438 -1.047 0 N-CA-C 102.418 -3.179 . . . . 0.0 102.418 176.695 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -169.2 -22.74 0.02 OUTLIER 'General case' 0 N--CA 1.444 -0.767 0 CA-C-N 110.412 -3.086 . . . . 0.0 109.862 -176.351 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 56.8 m95 -138.32 137.24 37.2 Favored 'General case' 0 C--N 1.362 1.137 0 O-C-N 123.854 0.722 . . . . 0.0 110.119 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -112.82 148.54 34.64 Favored 'General case' 0 C--N 1.349 0.554 0 CA-C-N 114.327 -1.306 . . . . 0.0 108.559 178.544 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 76.6 tttt -102.03 93.53 5.3 Favored 'General case' 0 CA--C 1.538 0.498 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 177.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.422 ' HB2' HG22 ' A' ' 27' ' ' VAL . . . -105.31 -174.21 2.48 Favored 'General case' 0 C--N 1.356 0.867 0 CA-C-N 112.894 -1.957 . . . . 0.0 111.915 -177.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 6.7 tm-20 -130.08 134.54 47.43 Favored 'General case' 0 C--N 1.36 1.046 0 CA-C-N 114.081 -1.418 . . . . 0.0 109.922 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.431 ' CD1' ' HB3' ' A' ' 19' ' ' PHE 0.301 12.4 mt -161.06 141.83 11.38 Favored 'General case' 0 CA--C 1.508 -0.64 0 CA-C-N 111.789 -2.46 . . . . 0.0 112.515 177.549 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 54.24 38.53 29.48 Favored 'General case' 0 CA--C 1.546 0.791 0 CA-C-N 109.336 -3.575 . . . . 0.0 114.618 171.102 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 72.77 19.1 79.16 Favored Glycine 0 CA--C 1.538 1.498 0 CA-C-N 113.06 -1.882 . . . . 0.0 113.816 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 65.4 mttp -134.8 171.14 14.8 Favored 'General case' 0 C--N 1.354 0.761 0 N-CA-C 107.868 -1.16 . . . . 0.0 107.868 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.431 ' C ' HD23 ' A' ' 17' ' ' LEU . 4.4 p30 -140.91 139.5 34.36 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 113.172 -1.831 . . . . 0.0 106.651 179.231 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -177.83 177.23 48.33 Favored Glycine 0 C--N 1.346 1.124 0 C-N-CA 117.007 -2.521 . . . . 0.0 111.993 -177.331 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -79.85 139.63 37.1 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 111.691 -2.254 . . . . 0.0 110.237 -179.619 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -139.66 141.03 26.68 Favored Pre-proline 0 CA--C 1.54 0.59 0 CA-C-N 112.146 -2.297 . . . . 0.0 107.165 -179.69 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 11.4 Cg_endo -71.8 133.27 21.56 Favored 'Trans proline' 0 C--N 1.363 1.29 0 C-N-CA 121.715 1.61 . . . . 0.0 112.915 -179.173 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 17.5 pttp -72.49 -15.57 61.8 Favored 'General case' 0 CA--C 1.551 1.007 0 C-N-CA 116.603 -2.039 . . . . 0.0 113.91 -179.343 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . 0.311 0.6 OUTLIER -81.57 -8.83 59.77 Favored 'General case' 0 C--N 1.363 1.156 0 C-N-CA 117.726 -1.59 . . . . 0.0 111.74 177.814 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.476 ' CE1' HG22 ' B' ' 5' ' ' VAL . 10.2 m-85 -94.82 -9.5 34.25 Favored 'General case' 0 C--N 1.353 0.753 0 C-N-CA 119.628 -0.829 . . . . 0.0 111.754 177.498 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.524 ' CD1' ' HB1' ' A' ' 3' ' ' ALA . 0.1 OUTLIER -131.45 161.21 41.57 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.218 0 CA-C-O 123.05 1.405 . . . . 0.0 112.849 -179.366 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 62.6 tt0 -106.94 132.99 52.26 Favored 'General case' 0 CA--C 1.547 0.832 0 CA-C-N 111.059 -2.792 . . . . 0.0 103.932 174.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 37.0 mtm -84.48 -79.68 0.21 Allowed 'General case' 0 C--N 1.348 0.522 0 CA-C-O 123.823 1.773 . . . . 0.0 113.571 -176.292 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 7.0 mmmm 65.81 98.19 0.04 OUTLIER Pre-proline 0 CA--C 1.555 1.163 0 CA-C-N 108.796 -3.82 . . . . 0.0 109.26 -177.615 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 34.3 Cg_exo . . . . . 0 C--N 1.366 1.452 0 C-N-CA 121.654 1.569 . . . . 0.0 113.819 178.387 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.222 -0.368 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 7.5 p -69.41 119.14 68.6 Favored Pre-proline 0 CA--C 1.551 0.993 0 O-C-N 125.179 1.55 . . . . 0.0 108.144 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 2' ' ' PRO . . . . . 0.482 ' HA ' ' HD3' ' B' ' 3' ' ' PRO 0.279 52.3 Cg_exo -48.37 129.21 18.98 Favored 'Trans proline' 0 CA--C 1.579 2.754 0 N-CA-C 115.956 1.483 . . . . 0.0 115.956 -179.043 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 3' ' ' PRO . . . . . 0.482 ' HD3' ' HA ' ' B' ' 2' ' ' PRO . 69.7 Cg_exo -43.1 162.14 0.05 OUTLIER 'Trans proline' 0 C--N 1.381 2.265 1 C-N-CA 126.708 4.939 . . . . 0.0 119.96 -177.297 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_endo -74.98 111.6 3.37 Favored 'Trans proline' 0 C--N 1.358 1.067 0 N-CA-C 106.728 -2.066 . . . . 0.0 106.728 175.424 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . 0.476 HG22 ' CE1' ' A' ' 52' ' ' TYR . 2.1 t -62.43 137.75 96.25 Favored Pre-proline 0 CA--C 1.552 1.048 0 CA-C-N 111.408 -2.633 . . . . 0.0 109.808 -178.365 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_exo -60.29 162.71 16.45 Favored 'Trans proline' 0 C--N 1.365 1.437 0 C-N-CA 121.109 1.206 . . . . 0.0 114.978 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_endo -83.84 111.74 1.73 Allowed 'Trans proline' 0 CA--C 1.55 1.289 0 N-CA-C 108.861 -1.246 . . . . 0.0 108.861 176.102 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -83.1 123.46 29.53 Favored 'General case' 0 C--N 1.351 0.636 0 N-CA-C 107.13 -1.433 . . . . 0.0 107.13 178.289 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 79.5 mtm180 133.78 85.32 0.0 OUTLIER 'General case' 0 C--N 1.351 0.663 0 C-N-CA 130.966 3.706 . . . . 0.0 105.562 -178.295 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 28.5 tpt85 -79.86 -3.89 49.87 Favored 'General case' 0 CA--C 1.545 0.782 0 CA-C-N 112.574 -2.103 . . . . 0.0 112.982 -178.509 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.164 0 CA-C-N 114.603 -1.18 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.6 ttt . . . . . 0 N--CA 1.445 -0.72 0 N-CA-C 104.582 -2.377 . . . . 0.0 104.582 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -70.6 111.94 6.48 Favored 'General case' 0 C--N 1.357 0.911 0 CA-C-O 123.772 1.748 . . . . 0.0 109.003 -178.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.697 ' HB1' HD12 ' A' ' 53' ' ' ILE . . . -100.41 141.95 32.56 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 110.29 -3.141 . . . . 0.0 106.623 -179.315 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 89.8 mt -136.93 109.77 7.83 Favored 'Isoleucine or valine' 0 C--N 1.345 0.399 0 CA-C-N 113.23 -1.804 . . . . 0.0 109.301 -176.386 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -66.82 122.21 17.19 Favored 'General case' 0 CA--C 1.542 0.661 0 CA-C-N 113.298 -1.774 . . . . 0.0 107.626 177.248 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 30.1 mtmt -87.16 -40.45 14.6 Favored 'General case' 0 C--O 1.222 -0.344 0 CA-C-N 114.547 -1.206 . . . . 0.0 110.241 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -107.48 168.05 9.51 Favored 'General case' 0 C--N 1.345 0.378 0 CA-C-N 112.486 -2.143 . . . . 0.0 109.79 -178.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 11.3 p-10 -96.19 128.26 42.94 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 110.554 -3.021 . . . . 0.0 105.392 178.564 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 21.0 t80 -138.74 150.47 46.17 Favored 'General case' 0 N--CA 1.446 -0.627 0 CA-C-N 112.926 -1.943 . . . . 0.0 109.267 -178.641 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 35.8 tptt -129.34 118.75 22.75 Favored 'General case' 0 N--CA 1.439 -0.987 0 CA-C-N 110.634 -2.985 . . . . 0.0 107.844 179.229 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -52.52 150.75 4.69 Favored 'General case' 0 C--N 1.356 0.854 0 CA-C-O 122.713 1.244 . . . . 0.0 113.439 178.714 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -119.4 7.92 11.29 Favored 'General case' 0 CA--C 1.545 0.761 0 CA-C-N 111.111 -2.768 . . . . 0.0 110.275 179.095 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -152.3 160.55 43.32 Favored 'General case' 0 C--N 1.354 0.782 0 CA-C-N 114.226 -1.352 . . . . 0.0 109.297 -179.441 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -68.94 -21.2 64.21 Favored 'General case' 0 CA--C 1.551 0.993 0 CA-C-N 112.033 -2.349 . . . . 0.0 113.649 -178.321 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -89.04 -18.37 27.46 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 113.648 -1.615 . . . . 0.0 112.345 -179.573 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -99.83 157.02 16.8 Favored 'General case' 0 CA--C 1.541 0.617 0 CA-C-N 113.208 -1.815 . . . . 0.0 109.643 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . 0.318 3.4 pp -137.19 158.08 45.24 Favored 'General case' 0 N--CA 1.475 0.778 0 CA-C-N 112.532 -2.122 . . . . 0.0 110.766 176.544 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 32.1 m -86.2 161.94 18.57 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 109.585 -3.461 . . . . 0.0 112.668 -175.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 23.9 p90 -160.85 164.08 31.59 Favored 'General case' 0 CA--C 1.543 0.692 0 CA-C-N 111.1 -2.773 . . . . 0.0 108.457 178.035 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 26.6 pttt -134.48 103.08 5.55 Favored 'General case' 0 C--N 1.353 0.734 0 CA-C-N 114.105 -1.407 . . . . 0.0 112.125 -178.218 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 3.78 54.95 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 130.575 3.55 . . . . 0.0 118.407 178.697 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 161.81 -0.31 0.06 OUTLIER Glycine 0 CA--C 1.526 0.733 0 CA-C-N 111.736 -2.483 . . . . 0.0 113.876 179.704 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 -75.38 146.01 41.17 Favored 'General case' 0 C--N 1.358 0.958 0 C-N-CA 116.445 -2.102 . . . . 0.0 108.625 179.278 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 90.1 mt -99.8 127.04 53.06 Favored 'Isoleucine or valine' 0 C--N 1.343 0.323 0 N-CA-C 105.307 -2.109 . . . . 0.0 105.307 179.086 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.653 ' HB2' ' HB3' ' A' ' 3' ' ' ALA . 0.8 OUTLIER -102.74 176.64 5.1 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 112.942 -1.935 . . . . 0.0 109.186 -178.733 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 13.0 ttpt -128.35 107.81 10.06 Favored 'General case' 0 C--O 1.218 -0.597 0 CA-C-N 109.774 -3.375 . . . . 0.0 108.562 -179.606 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.486 HG23 ' HB2' ' A' ' 3' ' ' ALA . 42.7 t -87.46 111.36 21.81 Favored 'Isoleucine or valine' 0 C--N 1.344 0.351 0 CA-C-O 123.791 1.758 . . . . 0.0 107.592 -176.71 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 55.3 tp -92.42 -40.75 10.69 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 108.969 -3.741 . . . . 0.0 111.34 -178.462 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 59.2 t30 -159.6 147.32 17.1 Favored 'General case' 0 C--N 1.358 0.949 0 C-N-CA 118.742 -1.183 . . . . 0.0 111.172 -179.013 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -147.68 105.62 3.72 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 112.556 -2.111 . . . . 0.0 107.346 178.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -172.58 34.02 0.01 OUTLIER 'General case' 0 C--N 1.35 0.616 0 CA-C-N 112.463 -2.153 . . . . 0.0 109.911 -178.762 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 96.5 m -112.34 -73.93 0.65 Allowed 'General case' 0 C--N 1.346 0.428 0 CA-C-N 112.785 -2.007 . . . . 0.0 108.934 -179.349 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 58.4 t0 -143.6 145.42 32.49 Favored 'General case' 0 C--N 1.344 0.33 0 CA-C-N 113.173 -1.831 . . . . 0.0 107.735 -179.032 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -84.96 58.97 5.32 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 112.029 -2.35 . . . . 0.0 109.126 -179.667 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 47.0 m-20 -173.57 -22.98 0.01 OUTLIER 'General case' 0 N--CA 1.444 -0.735 0 CA-C-N 110.252 -3.158 . . . . 0.0 109.643 -177.128 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 79.9 m95 -137.01 123.7 21.12 Favored 'General case' 0 C--N 1.36 1.054 0 CA-C-O 122.605 1.193 . . . . 0.0 111.376 -178.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 16.3 m-85 -106.08 147.82 28.49 Favored 'General case' 0 C--O 1.221 -0.413 0 CA-C-N 111.605 -2.543 . . . . 0.0 109.87 179.332 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 37.6 ttmt -102.31 102.12 12.45 Favored 'General case' 0 C--N 1.35 0.613 0 N-CA-C 106.475 -1.676 . . . . 0.0 106.475 177.752 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -116.83 -170.66 1.87 Allowed 'General case' 0 C--N 1.354 0.798 0 CA-C-N 113.658 -1.61 . . . . 0.0 110.123 -178.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -135.62 145.36 46.78 Favored 'General case' 0 C--N 1.357 0.912 0 CA-C-O 122.6 1.191 . . . . 0.0 113.171 -178.171 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.543 HD11 ' CD1' ' A' ' 25' ' ' LEU 0.306 8.4 mt -161.27 133.43 5.86 Favored 'General case' 0 C--N 1.349 0.581 0 CA-C-N 110.888 -2.869 . . . . 0.0 112.952 177.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 57.01 32.43 21.65 Favored 'General case' 0 CA--C 1.546 0.822 0 CA-C-N 112.357 -2.201 . . . . 0.0 114.768 170.851 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 73.74 18.02 79.4 Favored Glycine 0 CA--C 1.538 1.511 0 CA-C-N 113.745 -1.57 . . . . 0.0 113.732 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -134.8 128.24 32.4 Favored 'General case' 0 C--N 1.354 0.8 0 N-CA-C 107.779 -1.193 . . . . 0.0 107.779 179.587 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -99.85 147.67 25.26 Favored 'General case' 0 CA--C 1.547 0.853 0 CA-C-N 113.399 -1.728 . . . . 0.0 107.27 178.637 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -176.57 172.71 45.68 Favored Glycine 0 C--N 1.343 0.928 0 C-N-CA 118.539 -1.791 . . . . 0.0 112.968 -178.224 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 93.9 m-85 -79.91 137.18 36.83 Favored 'General case' 0 C--N 1.351 0.644 0 CA-C-N 112.132 -2.034 . . . . 0.0 110.89 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 44.6 pt -136.23 137.2 23.97 Favored Pre-proline 0 CA--C 1.544 0.714 0 CA-C-N 112.205 -2.271 . . . . 0.0 106.809 179.722 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 4.4 Cg_exo -69.2 144.89 58.58 Favored 'Trans proline' 0 C--N 1.365 1.414 0 C-N-CA 121.168 1.246 . . . . 0.0 113.179 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 44.8 mtmt -71.21 -32.12 68.44 Favored 'General case' 0 C--N 1.358 0.957 0 C-N-CA 116.6 -2.04 . . . . 0.0 112.218 179.451 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . 0.309 1.0 OUTLIER -72.32 -7.74 51.13 Favored 'General case' 0 C--N 1.358 0.963 0 C-N-CA 118.436 -1.306 . . . . 0.0 113.835 -179.606 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -94.98 -3.9 47.64 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 119.367 -0.933 . . . . 0.0 112.539 177.759 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.697 HD12 ' HB1' ' A' ' 3' ' ' ALA . 0.1 OUTLIER -128.88 168.02 22.99 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.898 0 CA-C-O 122.807 1.289 . . . . 0.0 109.919 179.656 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.411 ' N ' ' CG1' ' A' ' 53' ' ' ILE . 8.3 tp10 -127.98 119.36 25.33 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 111.061 -2.79 . . . . 0.0 104.966 176.841 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 5.2 mpp? -88.73 155.21 19.71 Favored 'General case' 0 C--N 1.349 0.559 0 CA-C-O 123.33 1.538 . . . . 0.0 112.176 -178.105 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 45.2 mtpt -155.27 98.29 2.36 Favored Pre-proline 0 CA--C 1.551 1.017 0 CA-C-N 109.888 -3.324 . . . . 0.0 108.846 179.705 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_endo . . . . . 0 CA--C 1.549 1.272 0 C-N-CA 120.405 0.736 . . . . 0.0 110.712 177.204 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.222 -0.365 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 5.6 p -58.38 115.67 12.31 Favored Pre-proline 0 CA--C 1.551 0.983 0 O-C-N 125.095 1.497 . . . . 0.0 109.24 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 2' ' ' PRO . . . . . 0.406 ' HA ' ' HD3' ' B' ' 3' ' ' PRO 0.252 51.4 Cg_exo -48.9 125.75 13.62 Favored 'Trans proline' 0 CA--C 1.573 2.45 0 N-CA-C 115.535 1.321 . . . . 0.0 115.535 -179.352 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 3' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' B' ' 2' ' ' PRO . 85.2 Cg_exo -42.76 164.14 0.04 OUTLIER 'Trans proline' 0 C--N 1.379 2.167 1 C-N-CA 126.095 4.53 . . . . 0.0 119.454 -177.216 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_endo -76.47 112.15 3.4 Favored 'Trans proline' 0 C--N 1.36 1.144 0 N-CA-C 105.743 -2.445 . . . . 0.0 105.743 174.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 2.0 t -65.7 139.75 97.13 Favored Pre-proline 0 CA--C 1.547 0.858 0 CA-C-N 110.914 -2.857 . . . . 0.0 109.486 -178.443 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_exo -58.95 158.98 22.9 Favored 'Trans proline' 0 C--N 1.364 1.345 0 C-N-CA 120.651 0.9 . . . . 0.0 112.528 178.573 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_endo -75.28 112.37 3.53 Favored 'Trans proline' 0 CA--C 1.542 0.901 0 N-CA-C 108.763 -1.284 . . . . 0.0 108.763 177.28 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 58.5 ttp85 -87.63 105.81 17.59 Favored 'General case' 0 C--N 1.351 0.667 0 CA-C-N 114.268 -1.333 . . . . 0.0 107.572 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 35.7 mmt180 -147.45 53.74 1.06 Allowed 'General case' 0 N--CA 1.444 -0.748 0 CA-C-N 111.997 -2.365 . . . . 0.0 108.051 -179.441 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 11.5 tpt180 -79.73 95.72 6.05 Favored 'General case' 0 C--N 1.35 0.623 0 CA-C-N 113.284 -1.78 . . . . 0.0 109.385 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.341 0.204 0 CA-C-N 113.746 -1.57 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 49.5 ttm . . . . . 0 N--CA 1.44 -0.962 0 N-CA-C 106.686 -1.598 . . . . 0.0 106.686 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -76.11 99.17 4.57 Favored 'General case' 0 C--N 1.351 0.643 0 CA-C-N 111.406 -2.634 . . . . 0.0 107.898 179.637 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.641 ' HB1' HD12 ' A' ' 53' ' ' ILE . . . -99.93 141.36 32.85 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 111.992 -2.367 . . . . 0.0 106.63 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 70.3 mt -144.89 103.27 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.349 0.585 0 O-C-N 125.31 1.631 . . . . 0.0 110.044 -176.683 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.453 ' HB1' ' CD2' ' A' ' 19' ' ' PHE . . . -67.25 125.37 25.85 Favored 'General case' 0 CA--C 1.544 0.748 0 CA-C-N 113.678 -1.601 . . . . 0.0 108.016 176.783 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.28 -36.43 16.69 Favored 'General case' 0 C--N 1.355 0.815 0 C-N-CA 117.481 -1.687 . . . . 0.0 110.415 -179.585 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 58.6 m-85 -100.55 170.58 8.28 Favored 'General case' 0 C--N 1.343 0.319 0 CA-C-N 112.538 -2.119 . . . . 0.0 109.407 -177.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -97.05 135.83 38.48 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 112.08 -2.327 . . . . 0.0 107.015 178.636 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 12.0 t80 -136.98 152.56 50.29 Favored 'General case' 0 C--N 1.352 0.715 0 CA-C-O 124.951 2.31 . . . . 0.0 112.013 -178.505 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.456 ' H ' ' HD3' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -133.64 101.51 5.14 Favored 'General case' 0 N--CA 1.442 -0.858 1 CA-C-N 108.043 -4.162 . . . . 0.0 106.556 179.352 . . . . . . . . 4 4 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -52.56 166.44 0.19 Allowed 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 112.575 -2.102 . . . . 0.0 113.032 179.338 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 45.1 p -94.26 -31.85 13.91 Favored 'General case' 0 CA--C 1.543 0.681 0 CA-C-N 108.52 -3.946 . . . . 0.0 105.475 176.557 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 59.63 88.8 0.07 Allowed 'General case' 0 C--N 1.355 0.831 0 CA-C-N 110.364 -3.107 . . . . 0.0 113.62 177.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -137.0 24.63 3.03 Favored 'General case' 0 N--CA 1.436 -1.17 1 CA-C-N 106.797 -4.729 . . . . 0.0 107.029 178.218 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . 0.37 3.8 p-10 117.09 19.94 0.0 OUTLIER 'General case' 0 C--N 1.364 1.214 1 C-N-CA 131.734 4.014 . . . . 0.0 113.142 -179.323 . . . . . . . . 3 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -102.52 165.5 11.06 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 111.995 -2.366 . . . . 0.0 111.044 178.362 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . 0.368 0.0 OUTLIER -137.54 159.37 42.13 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-N 111.197 -2.729 . . . . 0.0 111.103 174.655 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 23.9 m -87.45 164.31 16.25 Favored 'General case' 0 CA--C 1.542 0.652 0 CA-C-N 109.95 -3.296 . . . . 0.0 112.616 -178.02 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.453 ' CD2' ' HB1' ' A' ' 5' ' ' ALA . 18.2 p90 -161.44 161.69 30.29 Favored 'General case' 0 C--N 1.349 0.573 0 CA-C-N 110.726 -2.943 . . . . 0.0 108.177 178.621 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -135.5 108.8 7.79 Favored 'General case' 0 C--N 1.348 0.532 0 O-C-N 124.304 1.002 . . . . 0.0 109.496 179.674 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 2.2 tmt_? 3.44 95.31 0.01 OUTLIER 'General case' 0 CA--C 1.551 1.015 0 C-N-CA 127.092 2.157 . . . . 0.0 114.681 179.566 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 121.03 8.58 7.88 Favored Glycine 0 CA--C 1.535 1.339 0 CA-C-N 113.061 -1.882 . . . . 0.0 115.013 179.039 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -76.5 139.38 40.77 Favored 'General case' 0 C--N 1.357 0.928 0 C-N-CA 118.354 -1.338 . . . . 0.0 109.753 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 77.8 mt -102.61 119.67 51.3 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.471 0 CA-C-N 112.389 -2.187 . . . . 0.0 105.731 178.549 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.559 ' HB2' ' HB3' ' A' ' 3' ' ' ALA . 1.9 mp -107.15 164.3 12.28 Favored 'General case' 0 C--N 1.349 0.586 0 CA-C-O 124.056 1.884 . . . . 0.0 111.961 -177.721 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 17.5 mmmt -107.69 105.73 15.73 Favored 'General case' 0 C--O 1.214 -0.786 0 CA-C-N 108.541 -3.936 . . . . 0.0 108.216 178.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.492 ' CG2' ' HB2' ' A' ' 3' ' ' ALA . 9.2 t -87.12 121.99 38.49 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 C-N-CA 114.398 -2.921 . . . . 0.0 108.967 -175.795 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 35.7 tp -92.13 -51.1 5.34 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 109.534 -3.484 . . . . 0.0 111.189 -178.018 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 67.4 t30 -159.71 140.13 12.01 Favored 'General case' 0 C--N 1.359 0.995 0 C-N-CA 118.049 -1.46 . . . . 0.0 112.267 -179.44 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -160.33 106.63 1.54 Allowed 'General case' 0 C--N 1.351 0.663 0 CA-C-N 112.579 -2.101 . . . . 0.0 107.185 178.409 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 19.6 pt-20 -170.82 38.54 0.02 OUTLIER 'General case' 0 C--N 1.355 0.823 0 CA-C-N 114.779 -1.1 . . . . 0.0 111.94 -178.153 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 99.5 m -139.9 -78.72 0.31 Allowed 'General case' 0 C--N 1.344 0.329 0 CA-C-N 114.066 -1.425 . . . . 0.0 108.547 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -88.48 149.43 23.66 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 112.925 -1.943 . . . . 0.0 107.544 179.087 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 3.5 pp0? -112.98 62.85 0.63 Allowed 'General case' 0 C--O 1.222 -0.389 0 CA-C-N 112.575 -2.102 . . . . 0.0 108.934 -179.181 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 29.3 m-20 -170.45 -17.51 0.01 OUTLIER 'General case' 0 N--CA 1.447 -0.601 0 CA-C-N 110.677 -2.965 . . . . 0.0 112.026 -178.15 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 56.3 m95 -137.97 128.77 26.93 Favored 'General case' 0 CA--C 1.554 1.104 0 CA-C-O 122.959 1.362 . . . . 0.0 111.713 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 21.4 m-85 -110.7 135.56 51.11 Favored 'General case' 0 C--O 1.221 -0.411 0 CA-C-N 112.574 -2.103 . . . . 0.0 108.27 178.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 38.0 ttpt -100.36 110.68 22.9 Favored 'General case' 0 C--N 1.35 0.608 0 N-CA-C 106.292 -1.744 . . . . 0.0 106.292 178.376 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -132.37 163.39 28.81 Favored 'General case' 0 C--N 1.353 0.734 0 CA-C-N 114.231 -1.35 . . . . 0.0 108.281 -178.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -104.09 138.19 40.96 Favored 'General case' 0 C--N 1.352 0.688 0 O-C-N 124.885 1.366 . . . . 0.0 110.077 -176.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . 0.37 12.5 mt -159.3 132.83 7.25 Favored 'General case' 0 CA--C 1.496 -1.097 0 CA-C-N 110.817 -2.901 . . . . 0.0 111.998 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 56.47 32.11 20.12 Favored 'General case' 0 CA--C 1.548 0.893 0 CA-C-N 110.967 -2.833 . . . . 0.0 112.498 171.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 73.79 23.34 76.79 Favored Glycine 0 C--N 1.354 1.56 0 CA-C-N 112.439 -2.164 . . . . 0.0 113.447 -179.425 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -135.16 116.03 14.06 Favored 'General case' 0 C--N 1.355 0.811 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 -179.566 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -95.82 128.39 42.66 Favored 'General case' 0 CA--C 1.539 0.543 0 N-CA-C 103.809 -2.663 . . . . 0.0 103.809 177.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -174.87 172.37 45.4 Favored Glycine 0 C--N 1.341 0.806 0 CA-C-N 114.079 -1.418 . . . . 0.0 111.547 -176.244 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 76.3 m-85 -79.57 144.76 33.58 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 112.082 -2.059 . . . . 0.0 112.089 -178.631 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 6.1 pt -141.67 148.21 48.86 Favored Pre-proline 0 CA--C 1.542 0.643 0 CA-C-N 112.099 -2.319 . . . . 0.0 107.046 178.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 4.3 Cg_endo -68.33 142.66 55.57 Favored 'Trans proline' 0 C--N 1.357 1.012 0 C-N-CA 121.606 1.537 . . . . 0.0 114.253 -179.477 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 26.0 mtmt -71.91 -26.3 62.25 Favored 'General case' 0 C--N 1.366 1.311 0 C-N-CA 116.63 -2.028 . . . . 0.0 111.1 179.095 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -68.96 -18.81 64.13 Favored 'General case' 0 C--N 1.361 1.089 0 C-N-CA 118.478 -1.289 . . . . 0.0 111.76 -179.795 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 11.3 m-85 -91.91 -4.64 54.45 Favored 'General case' 0 CA--C 1.554 1.127 0 CA-C-N 113.819 -1.537 . . . . 0.0 113.396 -178.552 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.641 HD12 ' HB1' ' A' ' 3' ' ' ALA . 0.2 OUTLIER -131.83 153.27 38.33 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.259 0 CA-C-O 122.276 1.036 . . . . 0.0 111.533 179.052 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -112.55 121.46 44.87 Favored 'General case' 0 C--N 1.352 0.717 0 N-CA-C 104.262 -2.495 . . . . 0.0 104.262 174.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -89.1 161.03 16.74 Favored 'General case' 0 C--N 1.35 0.588 0 CA-C-O 122.302 1.049 . . . . 0.0 111.187 -179.47 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 32.0 mmtp -154.33 88.1 3.45 Favored Pre-proline 0 CA--C 1.55 0.96 0 CA-C-N 112.03 -2.35 . . . . 0.0 109.205 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_exo . . . . . 0 C--N 1.366 1.492 0 C-N-CA 122.148 1.899 . . . . 0.0 111.525 177.443 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.224 -0.256 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 60.7 t -125.34 88.28 54.39 Favored Pre-proline 0 CA--C 1.545 0.763 0 O-C-N 125.563 1.79 . . . . 0.0 108.715 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 2' ' ' PRO . . . . . 0.421 ' HA ' ' HD3' ' B' ' 3' ' ' PRO . 67.4 Cg_exo -53.92 147.13 43.51 Favored 'Trans proline' 0 CA--C 1.563 1.946 0 C-N-CA 121.831 1.687 . . . . 0.0 115.723 179.355 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 3' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' B' ' 2' ' ' PRO . 44.7 Cg_exo -58.49 161.65 14.03 Favored 'Trans proline' 0 C--N 1.367 1.512 0 C-N-CA 124.02 3.147 . . . . 0.0 116.141 179.168 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -74.61 125.35 9.47 Favored 'Trans proline' 0 C--N 1.368 1.56 0 C-N-CA 122.435 2.09 . . . . 0.0 106.694 175.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . 0.416 HG12 ' HD2' ' B' ' 6' ' ' PRO . 1.7 t -69.44 140.21 89.86 Favored Pre-proline 0 N--CA 1.45 -0.475 0 CA-C-N 111.348 -2.66 . . . . 0.0 111.98 -176.501 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 6' ' ' PRO . . . . . 0.416 ' HD2' HG12 ' B' ' 5' ' ' VAL . 19.7 Cg_exo -61.92 161.43 25.73 Favored 'Trans proline' 0 C--N 1.364 1.36 0 O-C-N 123.326 1.172 . . . . 0.0 113.942 179.497 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -88.91 109.93 0.51 Allowed 'Trans proline' 0 CA--C 1.548 1.176 0 C-N-CA 120.897 1.065 . . . . 0.0 109.819 176.17 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 3.7 ptm85 -83.43 103.92 13.17 Favored 'General case' 0 C--N 1.353 0.75 0 N-CA-C 106.769 -1.567 . . . . 0.0 106.769 178.298 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 61.1 mtp180 -139.7 -71.25 0.39 Allowed 'General case' 0 N--CA 1.449 -0.493 0 CA-C-O 124.624 2.154 . . . . 0.0 111.35 -179.082 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 4.2 mmp_? 68.05 -80.92 0.03 OUTLIER 'General case' 0 C--N 1.316 -0.848 1 CA-C-N 106.87 -4.696 . . . . 0.0 110.427 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.59 0 CA-C-N 111.135 -2.757 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.9 ttm . . . . . 0 CA--C 1.539 0.522 0 N-CA-C 108.082 -1.081 . . . . 0.0 108.082 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -88.05 121.6 30.65 Favored 'General case' 0 C--N 1.353 0.724 0 CA-C-N 112.426 -2.17 . . . . 0.0 108.451 179.061 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.67 ' HB1' HD12 ' A' ' 53' ' ' ILE . . . -111.62 147.83 34.63 Favored 'General case' 0 C--N 1.347 0.479 0 CA-C-N 112.543 -2.117 . . . . 0.0 109.347 179.282 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 61.4 mt -145.73 109.47 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.351 0.658 0 CA-C-N 113.11 -1.859 . . . . 0.0 109.579 -177.578 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -67.3 120.06 13.19 Favored 'General case' 0 CA--C 1.544 0.723 0 CA-C-N 114.13 -1.395 . . . . 0.0 109.287 177.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 19.4 mtmt -89.36 -19.84 24.73 Favored 'General case' 0 C--N 1.344 0.356 0 CA-C-N 114.436 -1.256 . . . . 0.0 112.249 179.772 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 81.2 m-85 -140.36 167.77 21.37 Favored 'General case' 0 C--N 1.346 0.43 0 CA-C-N 113.253 -1.794 . . . . 0.0 110.223 -178.658 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 11.1 p-10 -86.06 127.01 34.59 Favored 'General case' 0 C--N 1.348 0.511 0 CA-C-N 110.866 -2.879 . . . . 0.0 107.162 179.274 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 34.4 t80 -139.65 152.76 47.02 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 112.187 -2.278 . . . . 0.0 111.698 -177.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 46.0 mttp -133.94 140.62 46.89 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-N 110.829 -2.896 . . . . 0.0 108.314 175.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -51.21 150.83 3.1 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 112.038 -2.346 . . . . 0.0 112.724 179.638 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 5.4 p -115.55 -6.17 12.22 Favored 'General case' 0 C--N 1.349 0.561 0 CA-C-N 111.844 -2.435 . . . . 0.0 111.118 179.189 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -151.55 173.28 14.8 Favored 'General case' 0 C--N 1.349 0.579 0 CA-C-N 113.106 -1.861 . . . . 0.0 110.003 -178.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -73.91 -24.84 59.75 Favored 'General case' 0 CA--C 1.551 1.016 0 CA-C-N 111.468 -2.605 . . . . 0.0 111.712 -179.464 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -86.86 -17.11 34.13 Favored 'General case' 0 C--N 1.353 0.733 0 CA-C-N 113.501 -1.682 . . . . 0.0 111.899 179.328 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -99.12 155.22 17.57 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 113.675 -1.602 . . . . 0.0 108.917 179.753 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.47 HD23 ' C ' ' A' ' 45' ' ' ASP . 3.5 pp -132.98 159.22 40.64 Favored 'General case' 0 N--CA 1.474 0.768 0 CA-C-N 112.886 -1.961 . . . . 0.0 111.356 178.194 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 45.7 m -86.97 156.68 19.69 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 109.809 -3.359 . . . . 0.0 111.802 -177.527 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.405 ' HB3' ' CD1' ' A' ' 41' ' ' LEU . 36.3 p90 -159.5 147.57 17.43 Favored 'General case' 0 C--O 1.219 -0.533 0 CA-C-N 111.069 -2.787 . . . . 0.0 107.699 177.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 37.2 mtmt -103.81 145.17 30.49 Favored 'General case' 0 N--CA 1.446 -0.635 0 CA-C-N 112.835 -1.984 . . . . 0.0 106.854 -179.162 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 4.5 tmt_? -46.13 100.75 0.02 OUTLIER 'General case' 0 CA--C 1.55 0.949 0 O-C-N 125.518 1.761 . . . . 0.0 111.788 178.363 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 123.96 0.75 8.97 Favored Glycine 0 C--N 1.353 1.474 0 CA-C-N 113.559 -1.655 . . . . 0.0 114.697 179.661 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 51.7 m-20 -74.58 142.31 44.67 Favored 'General case' 0 C--N 1.364 1.204 0 C-N-CA 117.647 -1.621 . . . . 0.0 109.209 179.525 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 52.1 mm -101.49 120.15 50.69 Favored 'Isoleucine or valine' 0 C--N 1.343 0.316 0 N-CA-C 104.178 -2.527 . . . . 0.0 104.178 178.291 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.556 ' HB2' ' HB3' ' A' ' 3' ' ' ALA . 2.9 mp -105.46 162.27 13.61 Favored 'General case' 0 C--N 1.349 0.571 0 CA-C-N 112.904 -1.953 . . . . 0.0 111.502 -176.553 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 12.0 tmtt? -105.28 100.01 9.6 Favored 'General case' 0 C--O 1.218 -0.594 0 CA-C-N 108.721 -3.854 . . . . 0.0 108.072 178.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.495 HG23 ' HB2' ' A' ' 3' ' ' ALA . 5.4 t -87.93 113.11 24.55 Favored 'Isoleucine or valine' 0 C--N 1.344 0.364 0 N-CA-C 105.723 -1.954 . . . . 0.0 105.723 -177.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 50.3 tp -89.29 -50.25 6.24 Favored 'General case' 0 N--CA 1.443 -0.797 0 CA-C-N 108.701 -3.863 . . . . 0.0 108.787 -177.018 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 16.7 p-10 -162.73 -162.21 0.77 Allowed 'General case' 0 CA--C 1.542 0.667 0 O-C-N 125.295 1.622 . . . . 0.0 109.385 178.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -125.89 -120.79 0.26 Allowed 'General case' 0 CA--C 1.542 0.642 0 CA-C-N 112.43 -2.168 . . . . 0.0 105.718 179.091 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 75.73 81.21 0.1 Allowed 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 113.903 -1.499 . . . . 0.0 112.089 176.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 22.7 t 178.65 -70.83 0.01 OUTLIER 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 110.631 -2.986 . . . . 0.0 106.233 179.612 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 49.8 m-20 -162.74 -176.07 4.77 Favored 'General case' 0 C--N 1.347 0.457 0 CA-C-N 111.434 -2.621 . . . . 0.0 105.254 -179.574 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -64.97 -63.14 1.18 Allowed 'General case' 0 N--CA 1.447 -0.619 0 CA-C-N 114.149 -1.387 . . . . 0.0 108.464 177.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.49 ' O ' ' HA ' ' A' ' 49' ' ' PRO . 95.5 m-20 -40.47 -15.7 0.01 OUTLIER 'General case' 0 N--CA 1.441 -0.901 1 C-N-CA 135.05 5.34 . . . . 0.0 114.587 178.367 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 80.7 m95 -138.64 118.32 13.1 Favored 'General case' 0 C--N 1.343 0.286 0 CA-C-O 123.08 1.419 . . . . 0.0 109.878 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.431 ' O ' ' HA ' ' A' ' 47' ' ' PHE . 13.0 m-85 -101.16 170.84 7.99 Favored 'General case' 0 C--O 1.217 -0.616 0 CA-C-N 110.782 -2.917 . . . . 0.0 106.65 178.706 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 11.7 ttmm -123.78 110.06 14.44 Favored 'General case' 0 N--CA 1.446 -0.628 0 N-CA-C 104.286 -2.487 . . . . 0.0 104.286 177.503 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -134.65 174.79 10.17 Favored 'General case' 0 C--N 1.351 0.631 0 CA-C-N 114.177 -1.374 . . . . 0.0 111.056 -178.381 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 9.9 tm-20 -124.54 140.87 52.54 Favored 'General case' 0 C--N 1.355 0.816 0 CA-C-N 113.592 -1.64 . . . . 0.0 108.392 -178.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.405 ' CD1' ' HB3' ' A' ' 19' ' ' PHE 0.37 12.4 mt -159.52 145.1 15.85 Favored 'General case' 0 CA--C 1.493 -1.232 0 CA-C-N 110.967 -2.833 . . . . 0.0 112.271 -179.88 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . 0.311 1.0 OUTLIER 64.96 -73.82 0.06 Allowed 'General case' 0 N--CA 1.434 -1.258 1 CA-C-N 108.324 -4.034 . . . . 0.0 115.493 172.843 . . . . . . . . 4 3 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -164.55 20.1 0.13 Allowed Glycine 0 CA--C 1.529 0.961 0 CA-C-N 110.931 -2.85 . . . . 0.0 111.485 179.351 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -137.59 167.59 21.36 Favored 'General case' 0 C--N 1.349 0.552 0 CA-C-N 112.258 -1.971 . . . . 0.0 109.989 -179.464 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.47 ' C ' HD23 ' A' ' 17' ' ' LEU . 11.9 p-10 -141.97 131.68 24.15 Favored 'General case' 0 CA--C 1.551 1.002 0 CA-C-N 111.973 -2.376 . . . . 0.0 106.063 178.053 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -176.95 -178.77 46.95 Favored Glycine 0 C--N 1.355 1.634 0 C-N-CA 117.859 -2.115 . . . . 0.0 112.783 -176.483 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.431 ' HA ' ' O ' ' A' ' 37' ' ' TYR . 96.4 m-85 -80.16 143.5 33.81 Favored 'General case' 0 C--N 1.354 0.792 0 CA-C-N 112.678 -1.761 . . . . 0.0 111.703 -179.79 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -140.58 141.66 26.1 Favored Pre-proline 0 CA--C 1.555 1.161 0 CA-C-N 112.036 -2.347 . . . . 0.0 108.693 -179.768 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.49 ' HA ' ' O ' ' A' ' 35' ' ' ASN . 6.9 Cg_endo -71.97 144.2 42.38 Favored 'Trans proline' 0 C--N 1.371 1.732 0 C-N-CA 122.078 1.852 . . . . 0.0 115.404 -178.817 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 6.0 mtpm? -70.46 -35.58 73.39 Favored 'General case' 0 C--N 1.378 1.838 0 C-N-CA 114.596 -2.842 . . . . 0.0 113.388 179.563 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . 0.354 0.7 OUTLIER -67.95 -12.2 60.27 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 117.788 -1.565 . . . . 0.0 115.081 -178.947 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.45 ' CE1' HG22 ' B' ' 5' ' ' VAL . 9.3 m-85 -92.89 -3.63 54.26 Favored 'General case' 0 C--N 1.356 0.89 0 C-N-CA 118.531 -1.267 . . . . 0.0 112.189 177.53 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.67 HD12 ' HB1' ' A' ' 3' ' ' ALA . 0.1 OUTLIER -130.75 174.25 13.25 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.86 0 CA-C-O 122.831 1.301 . . . . 0.0 108.751 178.555 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.465 ' N ' ' CG1' ' A' ' 53' ' ' ILE . 30.0 tt0 -131.35 114.53 15.11 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-N 111.333 -2.667 . . . . 0.0 105.194 176.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 7.2 ptt? -88.47 162.92 16.19 Favored 'General case' 0 C--N 1.352 0.675 0 CA-C-N 114.225 -1.352 . . . . 0.0 110.959 -179.314 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 52.1 mtpt -153.57 77.76 5.81 Favored Pre-proline 0 CA--C 1.555 1.144 0 CA-C-N 112.725 -2.034 . . . . 0.0 110.438 -179.188 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 C--N 1.372 1.794 0 C-N-CA 122.83 2.353 . . . . 0.0 113.295 178.778 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.225 -0.233 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 71.4 t -121.71 93.19 48.75 Favored Pre-proline 0 CA--C 1.545 0.787 0 O-C-N 125.66 1.85 . . . . 0.0 107.61 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 2' ' ' PRO . . . . . 0.411 ' HA ' ' HD3' ' B' ' 3' ' ' PRO . 52.0 Cg_exo -52.21 148.49 24.7 Favored 'Trans proline' 0 CA--C 1.563 1.974 0 C-N-CA 121.613 1.542 . . . . 0.0 115.901 -179.69 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 3' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' B' ' 2' ' ' PRO . 85.8 Cg_exo -52.39 160.57 3.4 Favored 'Trans proline' 0 C--N 1.368 1.555 0 C-N-CA 125.07 3.847 . . . . 0.0 118.466 -179.688 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -81.37 118.73 3.29 Favored 'Trans proline' 0 C--N 1.362 1.251 0 N-CA-C 105.32 -2.608 . . . . 0.0 105.32 173.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . 0.45 HG22 ' CE1' ' A' ' 52' ' ' TYR . 2.3 t -58.97 139.89 87.04 Favored Pre-proline 0 CA--C 1.548 0.885 0 CA-C-N 112.033 -2.349 . . . . 0.0 110.794 -177.599 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -57.51 149.09 68.79 Favored 'Trans proline' 0 C--N 1.363 1.314 0 C-N-CA 120.938 1.092 . . . . 0.0 114.187 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -79.14 105.44 1.92 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 N-CA-C 107.776 -1.663 . . . . 0.0 107.776 177.302 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.05 127.27 33.42 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 113.053 -1.885 . . . . 0.0 108.077 -179.208 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 8.5 ttm105 95.6 77.47 0.0 OUTLIER 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 127.668 2.387 . . . . 0.0 107.368 -176.217 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 51.9 mmm-85 -32.45 -61.42 0.26 Allowed 'General case' 0 C--N 1.352 0.69 0 CA-C-N 111.114 -2.766 . . . . 0.0 113.368 -178.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 110.866 -2.879 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.469 ' SD ' HG11 ' A' ' 27' ' ' VAL . 17.1 ttm . . . . . 0 CA--C 1.543 0.708 0 N-CA-C 104.758 -2.312 . . . . 0.0 104.758 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -76.75 95.96 4.14 Favored 'General case' 0 C--N 1.365 1.281 0 CA-C-O 123.1 1.429 . . . . 0.0 108.063 -179.424 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.534 ' HB1' HD12 ' A' ' 53' ' ' ILE . . . -94.49 139.83 30.64 Favored 'General case' 0 N--CA 1.444 -0.726 0 CA-C-N 110.283 -3.144 . . . . 0.0 107.968 -174.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 84.5 mt -142.5 115.9 3.99 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.648 0 CA-C-N 111.355 -2.657 . . . . 0.0 109.481 -174.539 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -66.86 120.54 13.74 Favored 'General case' 0 CA--C 1.546 0.823 0 CA-C-N 113.329 -1.76 . . . . 0.0 108.091 177.499 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 36.4 mtmt -88.44 -18.74 27.66 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 114.74 -1.118 . . . . 0.0 112.563 -179.584 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 37.3 m-85 -139.69 168.65 19.34 Favored 'General case' 0 C--N 1.348 0.525 0 CA-C-N 113.496 -1.684 . . . . 0.0 109.754 -179.526 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -85.64 129.5 34.81 Favored 'General case' 0 C--N 1.352 0.708 0 CA-C-N 112.132 -2.304 . . . . 0.0 106.514 178.197 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 23.5 t80 -139.86 149.14 43.06 Favored 'General case' 0 C--N 1.345 0.394 0 CA-C-N 113.036 -1.893 . . . . 0.0 111.491 -179.387 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 55.3 mmtt -129.51 113.23 14.61 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 110.245 -3.161 . . . . 0.0 106.865 177.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -52.44 155.09 2.23 Favored 'General case' 0 C--N 1.348 0.508 0 CA-C-N 113.507 -1.679 . . . . 0.0 112.894 179.465 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 44.2 p -81.52 -25.51 35.89 Favored 'General case' 0 CA--C 1.549 0.926 0 CA-C-N 110.758 -2.928 . . . . 0.0 106.686 175.41 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 62.13 84.79 0.13 Allowed 'General case' 0 C--N 1.352 0.699 0 CA-C-N 110.445 -3.071 . . . . 0.0 112.128 179.27 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -133.41 17.24 4.02 Favored 'General case' 0 N--CA 1.44 -0.966 1 CA-C-N 106.67 -4.786 . . . . 0.0 107.702 178.77 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 16.8 p-10 118.56 15.45 0.0 OUTLIER 'General case' 0 C--N 1.367 1.339 0 C-N-CA 131.325 3.85 . . . . 0.0 111.238 -176.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 58.1 mt-10 -100.08 159.56 15.0 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 111.755 -2.475 . . . . 0.0 110.338 179.775 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . 0.397 0.0 OUTLIER -135.15 158.94 43.08 Favored 'General case' 0 N--CA 1.479 0.993 0 CA-C-N 112.171 -2.286 . . . . 0.0 111.518 176.394 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 37.8 m -86.17 161.29 18.92 Favored 'General case' 0 N--CA 1.445 -0.719 0 CA-C-N 109.563 -3.472 . . . . 0.0 111.798 -176.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 22.2 p90 -160.53 155.67 24.61 Favored 'General case' 0 C--N 1.345 0.41 0 CA-C-N 110.692 -2.958 . . . . 0.0 107.35 178.37 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 47.4 pttt -110.34 139.17 45.8 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 111.626 -2.534 . . . . 0.0 106.088 178.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 4.6 tmt_? -44.99 102.36 0.03 OUTLIER 'General case' 0 CA--C 1.551 0.981 0 O-C-N 125.408 1.693 . . . . 0.0 111.602 178.325 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 126.4 -1.84 7.63 Favored Glycine 0 C--N 1.35 1.361 0 CA-C-N 113.133 -1.849 . . . . 0.0 114.618 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -73.06 150.27 42.47 Favored 'General case' 0 C--N 1.364 1.202 0 C-N-CA 116.816 -1.954 . . . . 0.0 110.289 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 85.9 mt -103.43 118.57 50.67 Favored 'Isoleucine or valine' 0 C--N 1.347 0.466 0 N-CA-C 103.889 -2.634 . . . . 0.0 103.889 177.711 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.472 ' HB2' ' HB3' ' A' ' 3' ' ' ALA . 3.9 mp -112.08 174.64 5.78 Favored 'General case' 0 C--N 1.348 0.513 0 CA-C-N 113.448 -1.705 . . . . 0.0 109.233 -177.512 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 20.5 ttmt -129.95 99.59 5.15 Favored 'General case' 0 C--O 1.217 -0.651 0 CA-C-N 109.652 -3.431 . . . . 0.0 108.864 179.163 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.541 HG22 ' HB2' ' A' ' 39' ' ' ALA . 33.7 t -87.97 104.83 14.87 Favored 'Isoleucine or valine' 0 C--N 1.351 0.671 0 N-CA-C 102.693 -3.077 . . . . 0.0 102.693 -178.655 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.5 tt -90.43 -33.72 15.9 Favored 'General case' 0 N--CA 1.444 -0.726 1 CA-C-N 107.784 -4.28 . . . . 0.0 110.595 -175.862 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 59.6 m-20 -152.46 170.95 18.86 Favored 'General case' 0 C--N 1.351 0.673 0 CA-C-O 122.896 1.331 . . . . 0.0 109.152 178.686 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -156.18 148.47 23.48 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-N 111.185 -2.734 . . . . 0.0 106.115 179.29 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.44 ' CG ' ' H ' ' A' ' 32' ' ' CYS . 3.9 tt0 -94.87 -158.51 0.65 Allowed 'General case' 0 N--CA 1.429 -1.485 0 CA-C-O 122.922 1.344 . . . . 0.0 107.535 -179.718 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.44 ' H ' ' CG ' ' A' ' 31' ' ' GLU . 84.7 m -75.22 -27.72 59.66 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 111.703 -2.498 . . . . 0.0 111.024 -179.876 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -73.67 135.6 43.75 Favored 'General case' 0 C--N 1.351 0.648 0 CA-C-N 113.982 -1.463 . . . . 0.0 108.509 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 28.0 tt0 -114.32 77.67 1.08 Allowed 'General case' 0 N--CA 1.437 -1.097 0 N-CA-C 103.811 -2.663 . . . . 0.0 103.811 -179.501 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 31.4 m-20 -177.78 -23.45 0.01 OUTLIER 'General case' 0 N--CA 1.442 -0.861 0 CA-C-N 109.662 -3.426 . . . . 0.0 108.764 -177.217 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 62.7 m95 -139.74 130.03 25.33 Favored 'General case' 0 C--N 1.363 1.175 0 CA-C-O 122.877 1.323 . . . . 0.0 111.943 -179.033 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.445 ' OH ' ' SD ' ' A' ' 55' ' ' MET . 21.7 m-85 -104.9 177.97 4.69 Favored 'General case' 0 C--O 1.219 -0.518 0 CA-C-N 111.769 -2.469 . . . . 0.0 105.805 176.336 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -134.98 117.92 16.3 Favored 'General case' 0 CA--C 1.537 0.448 0 N-CA-C 105.697 -1.964 . . . . 0.0 105.697 178.323 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.541 ' HB2' HG22 ' A' ' 27' ' ' VAL . . . -136.05 173.83 11.28 Favored 'General case' 0 C--N 1.359 0.981 0 C-N-CA 118.109 -1.436 . . . . 0.0 111.198 -178.498 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -107.57 133.2 52.37 Favored 'General case' 0 C--N 1.355 0.831 0 O-C-N 125.676 1.86 . . . . 0.0 110.919 -178.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . 0.321 12.5 mt -161.01 133.41 6.04 Favored 'General case' 0 C--N 1.352 0.713 0 CA-C-N 112.503 -2.135 . . . . 0.0 113.494 178.008 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 55.46 33.33 20.74 Favored 'General case' 0 CA--C 1.547 0.835 0 CA-C-N 112.024 -2.353 . . . . 0.0 114.44 170.624 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 72.31 20.22 79.14 Favored Glycine 0 CA--C 1.537 1.419 0 CA-C-N 113.535 -1.666 . . . . 0.0 113.749 -179.568 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 41.9 mmtm -137.3 116.54 12.62 Favored 'General case' 0 C--N 1.356 0.86 0 N-CA-C 108.383 -0.969 . . . . 0.0 108.383 179.638 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -97.32 131.13 44.31 Favored 'General case' 0 CA--C 1.546 0.812 0 N-CA-C 104.577 -2.379 . . . . 0.0 104.577 177.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -174.34 177.79 46.4 Favored Glycine 0 C--N 1.343 0.926 0 CA-C-N 114.186 -1.37 . . . . 0.0 111.618 -176.104 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 63.2 m-85 -80.34 149.67 30.19 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 113.214 -1.493 . . . . 0.0 113.269 -178.682 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 26.7 pt -140.81 144.75 36.92 Favored Pre-proline 0 CA--C 1.555 1.146 0 CA-C-N 110.945 -2.843 . . . . 0.0 107.773 179.63 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 4.7 Cg_endo -75.55 155.94 40.49 Favored 'Trans proline' 0 C--N 1.366 1.449 0 C-N-CA 121.807 1.671 . . . . 0.0 114.475 179.259 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . 0.263 8.4 mmtt -68.73 -52.88 25.94 Favored 'General case' 0 C--N 1.353 0.731 0 CA-C-N 113.086 -1.87 . . . . 0.0 111.355 -179.105 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . 0.269 0.8 OUTLIER -67.23 -5.4 13.74 Favored 'General case' 0 CA--C 1.546 0.804 0 N-CA-C 115.239 1.57 . . . . 0.0 115.239 -179.078 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.487 ' CE1' HG22 ' B' ' 5' ' ' VAL . 13.5 m-85 -95.75 -12.53 25.25 Favored 'General case' 0 C--N 1.356 0.855 0 C-N-CA 117.665 -1.614 . . . . 0.0 113.76 178.415 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.534 HD12 ' HB1' ' A' ' 3' ' ' ALA . 0.1 OUTLIER -131.43 172.6 16.01 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.429 0 CA-C-O 122.582 1.182 . . . . 0.0 112.325 -178.533 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.522 ' N ' ' CG1' ' A' ' 53' ' ' ILE . 19.3 tp10 -102.84 147.54 26.75 Favored 'General case' 0 CA--C 1.559 1.326 0 CA-C-N 111.675 -2.511 . . . . 0.0 105.054 173.543 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . 0.445 ' SD ' ' OH ' ' A' ' 37' ' ' TYR . 23.9 mtm -82.42 -117.24 0.02 OUTLIER 'General case' 0 C--O 1.215 -0.712 0 N-CA-C 116.787 2.144 . . . . 0.0 116.787 -171.775 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.449 ' N ' ' CD ' ' A' ' 57' ' ' PRO . 91.7 mttt -80.87 -28.18 0.48 Allowed Pre-proline 0 CA--C 1.548 0.899 0 N-CA-C 118.28 2.696 . . . . 0.0 118.28 -176.07 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.449 ' CD ' ' N ' ' A' ' 56' ' ' LYS . 51.6 Cg_exo . . . . . 0 C--N 1.38 2.213 0 C-N-CA 122.905 2.403 . . . . 0.0 118.033 -176.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.223 -0.298 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 66.9 t -123.93 84.89 54.39 Favored Pre-proline 0 CA--C 1.542 0.671 0 O-C-N 125.673 1.858 . . . . 0.0 107.155 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_exo -45.09 134.4 11.18 Favored 'Trans proline' 0 CA--C 1.571 2.365 0 C-N-CA 121.967 1.778 . . . . 0.0 115.421 -179.474 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 41.1 Cg_exo -39.34 161.37 0.02 OUTLIER 'Trans proline' 0 C--N 1.376 2.02 1 C-N-CA 125.858 4.372 . . . . 0.0 120.925 -177.546 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -75.22 113.57 3.81 Favored 'Trans proline' 0 C--N 1.358 1.07 0 N-CA-C 106.535 -2.141 . . . . 0.0 106.535 175.216 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . 0.487 HG22 ' CE1' ' A' ' 52' ' ' TYR . 2.3 t -63.31 137.13 96.99 Favored Pre-proline 0 CA--C 1.555 1.148 0 CA-C-N 111.481 -2.6 . . . . 0.0 110.058 -178.274 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 28.4 Cg_exo -61.79 160.72 27.82 Favored 'Trans proline' 0 C--N 1.363 1.296 0 N-CA-C 115.369 1.257 . . . . 0.0 115.369 -179.598 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -84.91 112.4 1.48 Allowed 'Trans proline' 0 CA--C 1.548 1.217 0 N-CA-C 108.783 -1.276 . . . . 0.0 108.783 175.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 6.7 ppt_? -73.92 170.91 14.41 Favored 'General case' 0 C--N 1.356 0.881 0 CA-C-N 114.758 -1.11 . . . . 0.0 109.964 179.66 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 31.2 ttt180 65.34 37.7 6.19 Favored 'General case' 0 C--N 1.352 0.688 0 CA-C-N 113.754 -1.566 . . . . 0.0 110.163 -177.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 12.5 tpt85 46.77 47.65 15.02 Favored 'General case' 0 N--CA 1.44 -0.966 0 CA-C-N 110.81 -2.905 . . . . 0.0 112.669 -179.505 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.343 0.292 0 CA-C-N 113.273 -1.785 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.695 ' SD ' HG21 ' A' ' 27' ' ' VAL . 0.0 OUTLIER . . . . . 0 CA--C 1.539 0.541 0 CA-C-O 123.092 1.425 . . . . 0.0 110.57 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 56.3 mt-10 -76.89 115.09 16.37 Favored 'General case' 0 C--N 1.355 0.826 0 CA-C-N 110.166 -3.197 . . . . 0.0 107.579 179.012 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.614 ' HB3' ' HB2' ' A' ' 25' ' ' LEU . . . -101.72 143.2 31.95 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 111.85 -2.432 . . . . 0.0 107.822 -179.417 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 38.9 mm -136.43 112.2 11.92 Favored 'Isoleucine or valine' 0 C--N 1.352 0.681 0 CA-C-N 113.581 -1.645 . . . . 0.0 110.511 -176.045 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -67.82 122.23 17.69 Favored 'General case' 0 CA--C 1.551 0.989 0 CA-C-N 114.41 -1.268 . . . . 0.0 109.677 177.596 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 30.4 mtmt -88.59 -25.88 22.23 Favored 'General case' 0 C--N 1.344 0.348 0 CA-C-N 114.193 -1.367 . . . . 0.0 112.353 179.729 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -137.5 173.32 11.79 Favored 'General case' 0 C--N 1.345 0.384 0 CA-C-N 113.675 -1.602 . . . . 0.0 109.767 -178.659 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -92.06 137.27 32.5 Favored 'General case' 0 C--N 1.351 0.65 0 CA-C-N 111.833 -2.44 . . . . 0.0 107.999 -179.665 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -138.4 141.66 39.59 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 111.533 -2.576 . . . . 0.0 110.296 -179.44 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.6 54.72 1.93 Allowed 'General case' 0 CA--C 1.547 0.845 0 CA-C-N 110.599 -3.001 . . . . 0.0 113.001 -177.486 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 9.06 141.09 0.0 OUTLIER 'General case' 0 N--CA 1.498 1.926 0 C-N-CA 129.473 3.109 . . . . 0.0 117.939 -177.647 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -94.89 -10.06 32.37 Favored 'General case' 0 C--N 1.355 0.818 0 CA-C-N 112.377 -2.192 . . . . 0.0 112.33 179.721 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -153.24 173.08 16.02 Favored 'General case' 0 C--N 1.353 0.754 0 CA-C-O 123.041 1.4 . . . . 0.0 111.114 -179.273 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -63.11 -30.09 71.32 Favored 'General case' 0 CA--C 1.548 0.899 0 CA-C-N 110.369 -3.105 . . . . 0.0 113.305 -178.697 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 13.1 p-10 -75.16 -26.41 59.09 Favored 'General case' 0 CA--C 1.545 0.767 0 CA-C-N 114.19 -1.368 . . . . 0.0 111.59 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -99.95 157.22 16.69 Favored 'General case' 0 C--N 1.349 0.567 0 CA-C-N 113.279 -1.782 . . . . 0.0 110.453 -178.62 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . 0.282 3.4 pp -136.41 160.41 38.83 Favored 'General case' 0 C--N 1.344 0.332 0 CA-C-N 111.439 -2.618 . . . . 0.0 110.251 176.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 13.4 m -86.0 158.56 19.83 Favored 'General case' 0 N--CA 1.437 -1.113 0 CA-C-N 108.585 -3.916 . . . . 0.0 111.506 -176.389 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 23.2 p90 -159.47 144.36 15.45 Favored 'General case' 0 C--O 1.222 -0.378 0 CA-C-N 109.388 -3.551 . . . . 0.0 103.799 178.64 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 40.0 mtmt -105.06 145.41 30.52 Favored 'General case' 0 N--CA 1.444 -0.727 0 N-CA-C 105.149 -2.167 . . . . 0.0 105.149 179.687 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 60.7 ttt180 -46.05 115.51 1.01 Allowed 'General case' 0 CA--C 1.551 0.991 0 O-C-N 125.134 1.521 . . . . 0.0 112.266 178.328 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 109.58 0.58 30.81 Favored Glycine 0 CA--C 1.532 1.103 0 CA-C-N 111.151 -2.75 . . . . 0.0 113.863 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 55.0 m-20 -78.7 145.8 34.32 Favored 'General case' 0 C--N 1.368 1.375 0 C-N-CA 116.476 -2.09 . . . . 0.0 108.865 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 71.0 mt -101.35 127.69 54.41 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.467 0 CA-C-N 113.15 -1.841 . . . . 0.0 106.929 -179.755 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.614 ' HB2' ' HB3' ' A' ' 3' ' ' ALA . 0.4 OUTLIER -104.98 179.79 4.17 Favored 'General case' 0 C--N 1.353 0.741 0 CA-C-N 113.627 -1.624 . . . . 0.0 110.468 -178.953 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.2 tmmm? -134.12 110.56 9.68 Favored 'General case' 0 C--O 1.215 -0.74 0 CA-C-N 109.761 -3.381 . . . . 0.0 108.808 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.695 HG21 ' SD ' ' A' ' 1' ' ' MET . 20.2 m -87.42 117.85 32.21 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.07 0 C-N-CA 115.772 -2.371 . . . . 0.0 110.911 -176.565 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 45.2 tp -90.91 -56.74 3.06 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 110.483 -3.053 . . . . 0.0 110.515 -177.393 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 77.1 m-20 -126.17 137.42 53.56 Favored 'General case' 0 C--N 1.351 0.649 0 O-C-N 125.435 1.709 . . . . 0.0 109.783 -179.655 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -144.95 75.29 1.44 Allowed 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 111.692 -2.504 . . . . 0.0 105.681 179.104 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -163.92 35.04 0.08 Allowed 'General case' 0 C--N 1.351 0.66 0 CA-C-N 111.862 -2.427 . . . . 0.0 110.886 -176.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 87.7 m -116.03 -71.81 0.72 Allowed 'General case' 0 C--N 1.348 0.522 0 CA-C-N 112.742 -2.026 . . . . 0.0 108.368 179.749 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 80.8 m-20 -133.95 154.53 51.03 Favored 'General case' 0 C--N 1.351 0.657 0 CA-C-N 113.352 -1.749 . . . . 0.0 109.56 -179.15 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -99.92 65.87 1.33 Allowed 'General case' 0 C--N 1.348 0.507 0 CA-C-N 112.308 -2.224 . . . . 0.0 107.057 178.558 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 29.5 m-20 178.67 -20.75 0.0 OUTLIER 'General case' 0 CA--C 1.545 0.756 0 CA-C-N 111.101 -2.772 . . . . 0.0 109.494 -177.726 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 75.5 m95 -137.01 126.55 25.17 Favored 'General case' 0 C--N 1.362 1.116 0 CA-C-O 122.958 1.361 . . . . 0.0 110.968 -178.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 15.5 m-85 -105.3 144.3 32.27 Favored 'General case' 0 C--O 1.219 -0.531 0 CA-C-N 111.077 -2.783 . . . . 0.0 108.957 179.234 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 81.8 tttt -103.86 109.71 21.55 Favored 'General case' 0 CA--C 1.538 0.491 0 N-CA-C 105.057 -2.201 . . . . 0.0 105.057 177.47 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -133.31 169.08 17.43 Favored 'General case' 0 C--N 1.357 0.895 0 O-C-N 124.529 1.143 . . . . 0.0 111.601 -176.444 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -105.13 147.55 27.82 Favored 'General case' 0 C--N 1.363 1.194 0 O-C-N 124.928 1.393 . . . . 0.0 111.675 -177.077 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.603 HD11 ' CD1' ' A' ' 25' ' ' LEU . 5.7 mt -161.22 119.0 2.34 Favored 'General case' 0 C--N 1.349 0.578 0 CA-C-N 109.709 -3.405 . . . . 0.0 113.344 178.108 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . 0.325 0.0 OUTLIER 60.07 31.24 20.52 Favored 'General case' 0 C--N 1.359 1.017 0 C-N-CA 114.109 -3.036 . . . . 0.0 117.631 172.572 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 62.75 23.38 65.29 Favored Glycine 0 CA--C 1.537 1.444 0 CA-C-N 114.197 -1.365 . . . . 0.0 112.215 -179.218 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -133.26 107.85 8.39 Favored 'General case' 0 N--CA 1.438 -1.055 0 N-CA-C 105.413 -2.069 . . . . 0.0 105.413 -179.631 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -99.52 136.09 39.96 Favored 'General case' 0 CA--C 1.558 1.26 0 CA-C-N 112.591 -2.095 . . . . 0.0 107.75 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -169.18 175.97 43.38 Favored Glycine 0 C--N 1.348 1.212 0 C-N-CA 120.125 -1.036 . . . . 0.0 112.698 -177.431 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -80.13 140.21 36.49 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 112.402 -1.899 . . . . 0.0 111.417 -179.639 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 35.3 pt -139.53 140.97 26.9 Favored Pre-proline 0 CA--C 1.544 0.737 0 CA-C-N 111.9 -2.409 . . . . 0.0 106.597 179.787 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 6.9 Cg_endo -72.28 146.61 45.9 Favored 'Trans proline' 0 C--N 1.361 1.212 0 C-N-CA 121.54 1.493 . . . . 0.0 113.263 -179.725 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 46.1 mtmt -71.36 -33.0 69.17 Favored 'General case' 0 C--N 1.361 1.105 0 C-N-CA 116.213 -2.195 . . . . 0.0 111.717 179.519 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . 0.309 1.6 p-10 -70.78 -10.36 59.35 Favored 'General case' 0 C--N 1.355 0.841 0 C-N-CA 118.298 -1.361 . . . . 0.0 114.12 -179.707 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -93.36 -4.55 51.32 Favored 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 118.469 -1.293 . . . . 0.0 111.505 177.112 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.611 HD12 ' HB1' ' A' ' 3' ' ' ALA . 0.1 OUTLIER -130.17 172.52 15.74 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.178 0 CA-C-O 122.45 1.119 . . . . 0.0 110.701 179.07 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.455 ' N ' ' CG1' ' A' ' 53' ' ' ILE . 37.8 tt0 -132.22 126.02 32.52 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 128.589 2.755 . . . . 0.0 106.344 176.826 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 38.4 mtm -87.85 158.1 18.82 Favored 'General case' 0 C--N 1.351 0.662 0 CA-C-N 115.256 -0.884 . . . . 0.0 109.841 -179.606 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 92.1 mttt -154.4 78.97 5.05 Favored Pre-proline 0 CA--C 1.553 1.071 0 CA-C-N 113.878 -1.51 . . . . 0.0 109.772 -179.535 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 68.3 Cg_endo . . . . . 0 C--N 1.365 1.442 0 C-N-CA 121.806 1.671 . . . . 0.0 111.132 179.408 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 0' ' ' ACE . . . . . 0.45 ' H1 ' ' C ' ' B' ' 1' ' ' VAL . . . . . . . . 0 C--O 1.223 -0.313 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 1' ' ' VAL . . . . . 0.45 ' C ' ' H1 ' ' B' ' 0' ' ' ACE . 8.1 p 8.11 78.37 0.05 OUTLIER Pre-proline 0 CA--C 1.552 1.03 1 C-N-CA 132.457 4.303 . . . . 0.0 114.368 . . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 2' ' ' PRO . . . . . 0.423 ' HA ' ' HD3' ' B' ' 3' ' ' PRO . 50.6 Cg_exo -49.75 149.18 11.04 Favored 'Trans proline' 0 CA--C 1.56 1.805 0 C-N-CA 121.871 1.714 . . . . 0.0 115.811 -179.19 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 3' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' B' ' 2' ' ' PRO . 61.1 Cg_exo -52.6 159.67 4.51 Favored 'Trans proline' 0 C--N 1.367 1.526 0 C-N-CA 124.168 3.245 . . . . 0.0 116.502 179.471 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -75.25 123.24 7.6 Favored 'Trans proline' 0 C--N 1.365 1.423 0 N-CA-C 106.687 -2.082 . . . . 0.0 106.687 175.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . 0.406 ' HA ' ' HD3' ' B' ' 6' ' ' PRO . 1.7 t -68.01 137.84 92.29 Favored Pre-proline 0 CA--C 1.543 0.68 0 CA-C-N 111.491 -2.595 . . . . 0.0 112.15 -176.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 6' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' B' ' 5' ' ' VAL . 21.7 Cg_exo -59.29 161.69 16.13 Favored 'Trans proline' 0 C--N 1.363 1.301 0 C-N-CA 121.462 1.441 . . . . 0.0 114.345 179.139 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -82.36 113.28 2.32 Favored 'Trans proline' 0 CA--C 1.547 1.132 0 C-N-CA 121.005 1.137 . . . . 0.0 109.887 176.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 1.6 ppt_? -88.09 76.89 8.46 Favored 'General case' 0 C--N 1.351 0.668 0 CA-C-O 123.989 1.852 . . . . 0.0 108.791 178.233 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 44.4 ttp180 178.79 85.61 0.01 OUTLIER 'General case' 0 N--CA 1.423 -1.815 0 CA-C-N 109.654 -3.43 . . . . 0.0 103.035 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 13.3 tpt180 -57.28 84.71 0.01 OUTLIER 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 110.389 -3.096 . . . . 0.0 110.46 -179.345 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.336 -0.007 0 CA-C-N 112.377 -2.192 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.7 ttm . . . . . 0 N--CA 1.436 -1.173 0 N-CA-C 106.269 -1.752 . . . . 0.0 106.269 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.599 ' O ' ' SD ' ' A' ' 55' ' ' MET . 56.9 mt-10 -98.87 97.14 8.37 Favored 'General case' 0 C--O 1.215 -0.74 0 N-CA-C 103.49 -2.782 . . . . 0.0 103.49 178.637 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.788 ' HA ' ' SD ' ' A' ' 55' ' ' MET 0.288 . . -91.85 154.69 18.72 Favored 'General case' 0 C--N 1.354 0.78 0 C-N-CA 128.624 2.769 . . . . 0.0 115.219 -172.021 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.435 HG12 ' SD ' ' A' ' 55' ' ' MET . 29.8 mm -136.51 118.03 19.23 Favored 'Isoleucine or valine' 0 C--N 1.359 1.019 0 CA-C-N 110.195 -3.184 . . . . 0.0 108.338 -177.544 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -66.58 131.48 46.09 Favored 'General case' 0 CA--C 1.539 0.554 0 N-CA-C 106.114 -1.81 . . . . 0.0 106.114 177.075 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 18.1 tttt -86.4 -37.22 18.6 Favored 'General case' 0 CA--C 1.512 -0.484 0 CA-C-N 111.652 -2.522 . . . . 0.0 112.465 -176.411 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.413 ' CG ' ' HB3' ' B' ' 2' ' ' PRO . 78.9 m-85 -138.61 172.35 13.01 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-N 110.809 -2.905 . . . . 0.0 108.382 -179.459 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -83.27 130.41 35.07 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 110.139 -3.209 . . . . 0.0 107.152 179.117 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 19.2 t80 -137.27 146.86 45.22 Favored 'General case' 0 C--N 1.349 0.567 0 CA-C-O 124.551 2.119 . . . . 0.0 111.959 -178.178 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 33.7 tptt -128.27 117.04 20.78 Favored 'General case' 0 N--CA 1.441 -0.925 0 CA-C-N 109.467 -3.515 . . . . 0.0 106.137 178.615 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -52.46 154.79 2.37 Favored 'General case' 0 C--N 1.359 1.01 0 CA-C-O 123.398 1.57 . . . . 0.0 112.947 179.247 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 40.2 p -104.04 -16.07 15.4 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-N 110.246 -3.161 . . . . 0.0 111.863 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -151.48 173.88 14.05 Favored 'General case' 0 C--N 1.351 0.658 0 CA-C-N 113.413 -1.721 . . . . 0.0 110.946 -178.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -69.39 -26.88 64.86 Favored 'General case' 0 CA--C 1.546 0.827 0 CA-C-N 111.39 -2.641 . . . . 0.0 113.712 -177.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 10.1 p-10 -77.77 -21.89 51.04 Favored 'General case' 0 CA--C 1.547 0.857 0 CA-C-N 114.59 -1.186 . . . . 0.0 111.454 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -99.75 158.71 15.59 Favored 'General case' 0 C--N 1.351 0.635 0 CA-C-N 113.324 -1.762 . . . . 0.0 109.748 -179.608 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . 0.263 4.2 pp -135.81 159.2 42.38 Favored 'General case' 0 C--N 1.348 0.527 0 CA-C-N 111.935 -2.393 . . . . 0.0 110.64 176.882 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 32.0 m -86.91 159.71 18.95 Favored 'General case' 0 N--CA 1.442 -0.865 0 CA-C-N 109.27 -3.604 . . . . 0.0 112.092 -177.465 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.506 ' HB3' ' CD1' ' A' ' 41' ' ' LEU . 27.0 p90 -160.32 161.18 33.2 Favored 'General case' 0 C--O 1.219 -0.518 0 CA-C-N 109.284 -3.598 . . . . 0.0 107.497 177.566 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.84 143.15 48.05 Favored 'General case' 0 N--CA 1.447 -0.618 0 CA-C-N 112.422 -2.172 . . . . 0.0 105.728 179.478 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 30.5 ttt180 -44.69 109.75 0.18 Allowed 'General case' 0 CA--C 1.551 0.986 0 O-C-N 124.694 1.247 . . . . 0.0 112.397 178.161 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 113.4 5.73 22.54 Favored Glycine 0 CA--C 1.537 1.45 0 CA-C-N 111.063 -2.79 . . . . 0.0 114.372 179.717 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 32.1 m-20 -70.47 153.82 42.54 Favored 'General case' 0 C--N 1.367 1.331 0 C-N-CA 116.964 -1.895 . . . . 0.0 110.09 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 25.3 mm -102.44 111.96 34.05 Favored 'Isoleucine or valine' 0 C--N 1.348 0.513 0 CA-C-N 112.835 -1.984 . . . . 0.0 106.355 179.715 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.556 ' HB2' ' HB3' ' A' ' 3' ' ' ALA . 1.8 mp -104.54 168.39 9.11 Favored 'General case' 0 C--N 1.355 0.847 0 CA-C-O 123.361 1.553 . . . . 0.0 111.919 -178.018 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 30.2 tttt -134.63 105.02 6.3 Favored 'General case' 0 C--O 1.217 -0.655 0 CA-C-N 110.012 -3.267 . . . . 0.0 110.076 179.343 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 15.3 t -88.07 111.97 23.0 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.526 0 CA-C-N 113.77 -1.559 . . . . 0.0 107.058 -175.591 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.4 tt -90.88 -40.23 11.86 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-N 111.098 -2.774 . . . . 0.0 111.281 -176.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 -131.93 118.46 19.81 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-N 114.725 -1.125 . . . . 0.0 109.558 179.604 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -142.94 123.12 13.71 Favored 'General case' 0 C--N 1.348 0.534 0 CA-C-N 112.66 -2.064 . . . . 0.0 107.73 178.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . 0.259 7.1 pt-20 127.5 108.93 0.0 OUTLIER 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 129.747 3.219 . . . . 0.0 107.785 -179.438 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 4.5 p 171.21 -55.3 0.01 OUTLIER 'General case' 0 C--N 1.347 0.474 0 CA-C-N 112.026 -2.352 . . . . 0.0 107.96 -179.165 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -127.06 126.07 42.43 Favored 'General case' 0 C--N 1.351 0.654 0 CA-C-N 111.891 -2.413 . . . . 0.0 107.897 179.723 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 84.4 mt-30 -93.19 85.06 4.93 Favored 'General case' 0 C--N 1.348 0.528 0 N-CA-C 106.386 -1.709 . . . . 0.0 106.386 178.492 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 29.6 m-20 158.31 -14.75 0.0 OUTLIER 'General case' 0 C--N 1.35 0.59 0 C-N-CA 127.668 2.387 . . . . 0.0 110.494 -178.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 80.3 m95 -137.77 128.17 26.38 Favored 'General case' 0 C--N 1.358 0.947 0 CA-C-O 122.237 1.018 . . . . 0.0 111.317 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 10.5 m-85 -109.57 149.53 29.52 Favored 'General case' 0 C--O 1.222 -0.359 0 CA-C-N 112.142 -2.299 . . . . 0.0 107.11 178.364 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 85.1 tttt -107.12 117.05 33.05 Favored 'General case' 0 C--N 1.349 0.576 0 N-CA-C 105.728 -1.953 . . . . 0.0 105.728 176.281 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -135.89 172.82 12.46 Favored 'General case' 0 C--N 1.356 0.851 0 O-C-N 124.32 1.013 . . . . 0.0 112.338 -178.267 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -109.57 130.4 55.51 Favored 'General case' 0 C--N 1.353 0.733 0 O-C-N 125.632 1.833 . . . . 0.0 110.312 -177.581 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.506 ' CD1' ' HB3' ' A' ' 19' ' ' PHE 0.305 10.9 mt -162.76 148.34 12.2 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-N 111.737 -2.483 . . . . 0.0 112.92 177.851 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 53.74 34.64 19.44 Favored 'General case' 0 CA--C 1.548 0.897 0 CA-C-N 109.753 -3.385 . . . . 0.0 115.534 170.489 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 79.4 8.68 87.6 Favored Glycine 0 CA--C 1.538 1.528 0 CA-C-N 114.41 -1.268 . . . . 0.0 114.703 179.58 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 68.9 mmtt -135.38 174.59 10.44 Favored 'General case' 0 C--N 1.351 0.666 0 N-CA-C 107.886 -1.153 . . . . 0.0 107.886 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -144.89 125.22 13.83 Favored 'General case' 0 CA--C 1.546 0.814 0 CA-C-N 113.1 -1.864 . . . . 0.0 107.135 176.881 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -159.11 -177.1 31.89 Favored Glycine 0 C--N 1.351 1.397 0 CA-C-N 114.601 -1.181 . . . . 0.0 111.989 -177.247 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -79.79 146.84 32.08 Favored 'General case' 0 C--N 1.346 0.431 0 CA-C-O 123.004 1.383 . . . . 0.0 110.936 -179.71 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 34.6 pt -140.36 143.4 33.08 Favored Pre-proline 0 CA--C 1.542 0.648 0 CA-C-N 111.039 -2.8 . . . . 0.0 106.686 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 2.3 Cg_endo -71.23 145.2 48.23 Favored 'Trans proline' 0 C--N 1.362 1.242 0 C-N-CA 121.084 1.189 . . . . 0.0 111.002 177.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 6.6 mtpm? -71.45 -33.39 69.31 Favored 'General case' 0 C--N 1.354 0.795 0 C-N-CA 119.201 -0.999 . . . . 0.0 109.849 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.497 HD22 ' HB2' ' B' ' 3' ' ' PRO . 10.1 p-10 -66.4 -20.13 65.98 Favored 'General case' 0 CA--C 1.55 0.962 0 CA-C-N 112.573 -2.103 . . . . 0.0 113.045 179.525 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.452 ' CE1' HG22 ' B' ' 5' ' ' VAL . 8.4 m-85 -94.03 4.81 53.37 Favored 'General case' 0 CA--C 1.557 1.216 0 CA-C-O 117.669 -1.158 . . . . 0.0 113.542 177.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.711 HD12 ' HB1' ' A' ' 3' ' ' ALA . 0.1 OUTLIER -135.1 166.15 28.99 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.889 0 CA-C-O 122.968 1.366 . . . . 0.0 110.401 176.345 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.57 ' O ' ' SD ' ' A' ' 55' ' ' MET . 2.4 tm-20 -135.41 130.46 34.88 Favored 'General case' 0 C--N 1.351 0.66 0 CA-C-N 110.624 -2.989 . . . . 0.0 106.734 177.844 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . 0.788 ' SD ' ' HA ' ' A' ' 3' ' ' ALA . 0.9 OUTLIER -153.66 -165.43 2.13 Favored 'General case' 0 N--CA 1.427 -1.605 0 N-CA-C 115.812 1.782 . . . . 0.0 115.812 176.499 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.704 ' H ' ' HG3' ' A' ' 55' ' ' MET . 32.4 mtmm -156.22 99.21 2.14 Favored Pre-proline 0 CA--C 1.577 2.009 2 C-N-CA 135.687 5.595 . . . . 0.0 106.146 -177.888 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo . . . . . 0 C--N 1.372 1.808 0 C-N-CA 123.122 2.548 . . . . 0.0 113.514 178.147 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.223 -0.337 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 7.6 p -74.5 119.86 78.63 Favored Pre-proline 0 CA--C 1.547 0.845 0 O-C-N 125.055 1.472 . . . . 0.0 107.929 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 2' ' ' PRO . . . . . 0.413 ' HB3' ' CG ' ' A' ' 7' ' ' TYR . 1.8 Cg_endo -69.33 161.96 43.76 Favored 'Trans proline' 0 C--N 1.365 1.439 0 N-CA-C 114.416 0.891 . . . . 0.0 114.416 -179.525 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 3' ' ' PRO . . . . . 0.497 ' HB2' HD22 ' A' ' 51' ' ' ASN . 57.4 Cg_exo -50.93 162.09 1.2 Allowed 'Trans proline' 0 C--N 1.365 1.398 0 C-N-CA 124.819 3.68 . . . . 0.0 116.286 177.043 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -79.98 125.68 6.08 Favored 'Trans proline' 0 C--N 1.362 1.285 0 N-CA-C 105.321 -2.607 . . . . 0.0 105.321 175.008 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . 0.452 HG22 ' CE1' ' A' ' 52' ' ' TYR . 1.8 t -69.92 134.36 87.83 Favored Pre-proline 0 N--CA 1.439 -1.0 0 CA-C-N 111.466 -2.606 . . . . 0.0 110.57 -177.328 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 6' ' ' PRO . . . . . 0.431 ' HD3' ' HA ' ' B' ' 5' ' ' VAL . 16.8 Cg_exo -62.09 165.22 15.06 Favored 'Trans proline' 0 C--N 1.361 1.219 0 C-N-CA 121.917 1.745 . . . . 0.0 114.655 -179.565 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 70.2 Cg_endo -87.57 111.83 0.81 Allowed 'Trans proline' 0 CA--C 1.548 1.185 0 C-N-CA 121.178 1.252 . . . . 0.0 109.77 176.187 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . 0.436 ' HG2' HH11 ' B' ' 8' ' ' ARG . 0.1 OUTLIER -88.0 135.68 33.31 Favored 'General case' 0 C--N 1.353 0.751 0 N-CA-C 107.789 -1.189 . . . . 0.0 107.789 178.504 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 4.1 mmp_? 128.75 71.64 0.0 OUTLIER 'General case' 0 C--N 1.357 0.896 0 C-N-CA 129.001 2.92 . . . . 0.0 108.869 179.514 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.22 44.86 2.56 Favored 'General case' 0 CA--C 1.546 0.798 0 CA-C-N 112.955 -1.929 . . . . 0.0 108.829 179.199 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.341 0.204 0 CA-C-N 113.499 -1.682 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.41 ' HB3' HG23 ' A' ' 27' ' ' VAL . 31.4 ttm . . . . . 0 CA--C 1.536 0.429 0 N-CA-C 106.028 -1.842 . . . . 0.0 106.028 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -92.85 125.73 37.59 Favored 'General case' 0 C--N 1.351 0.631 0 CA-C-N 114.094 -1.412 . . . . 0.0 107.659 178.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.728 ' HB1' HD12 ' A' ' 53' ' ' ILE . . . -104.03 140.26 38.0 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 111.136 -2.756 . . . . 0.0 107.304 -179.028 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 31.2 mm -137.58 116.68 14.79 Favored 'Isoleucine or valine' 0 C--N 1.348 0.525 0 CA-C-N 113.755 -1.566 . . . . 0.0 109.54 -177.153 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -66.58 119.72 12.2 Favored 'General case' 0 CA--C 1.545 0.776 0 CA-C-N 112.547 -2.115 . . . . 0.0 110.348 179.202 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.8 mtmp? -88.24 -14.46 38.41 Favored 'General case' 0 C--N 1.343 0.318 0 CA-C-N 113.712 -1.585 . . . . 0.0 111.901 179.278 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 70.9 m-85 -142.72 172.24 12.96 Favored 'General case' 0 CA--C 1.538 0.511 0 O-C-N 125.54 1.775 . . . . 0.0 110.258 179.341 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -91.87 128.09 37.58 Favored 'General case' 0 CA--C 1.544 0.737 0 CA-C-N 111.55 -2.568 . . . . 0.0 108.096 178.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 14.6 t80 -137.95 151.43 47.95 Favored 'General case' 0 C--N 1.351 0.668 0 CA-C-O 124.743 2.211 . . . . 0.0 113.542 -177.765 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.48 ' H ' ' HD2' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -135.38 106.84 6.85 Favored 'General case' 0 CA--C 1.55 0.947 0 CA-C-N 108.825 -3.807 . . . . 0.0 107.405 178.431 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -50.95 158.03 0.75 Allowed 'General case' 0 N--CA 1.47 0.539 0 CA-C-O 123.888 1.804 . . . . 0.0 113.566 -179.749 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 48.6 p -87.42 -25.91 23.54 Favored 'General case' 0 CA--C 1.549 0.932 0 CA-C-N 109.369 -3.559 . . . . 0.0 106.472 175.665 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 59.98 77.39 0.32 Allowed 'General case' 0 C--N 1.356 0.865 0 C-N-CA 128.774 2.83 . . . . 0.0 112.674 178.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . 0.255 11.5 t70 -125.37 17.75 8.26 Favored 'General case' 0 N--CA 1.438 -1.064 1 CA-C-N 106.341 -4.936 . . . . 0.0 107.679 179.628 . . . . . . . . 3 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 45.4 p30 121.79 11.14 0.0 OUTLIER 'General case' 0 C--N 1.37 1.493 0 C-N-CA 130.743 3.617 . . . . 0.0 110.83 -176.513 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 76.7 mt-10 -98.21 165.5 11.85 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 112.261 -2.245 . . . . 0.0 112.817 -177.527 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.1 pp -139.05 159.63 41.69 Favored 'General case' 0 C--N 1.354 0.764 0 CA-C-N 110.546 -3.025 . . . . 0.0 111.28 177.533 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 40.7 m -87.15 157.79 19.29 Favored 'General case' 0 N--CA 1.445 -0.721 0 CA-C-N 109.345 -3.571 . . . . 0.0 111.613 -178.055 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.436 ' HB3' ' CD1' ' A' ' 41' ' ' LEU . 29.1 p90 -160.34 150.44 18.11 Favored 'General case' 0 C--O 1.219 -0.516 0 CA-C-N 110.785 -2.916 . . . . 0.0 106.13 178.296 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 21.0 pttp -109.05 151.0 26.97 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 112.985 -1.916 . . . . 0.0 106.844 178.798 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 45.1 tpt85 -45.34 109.36 0.17 Allowed 'General case' 0 CA--C 1.554 1.122 0 CA-C-N 113.032 -1.895 . . . . 0.0 111.817 177.487 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 104.26 15.65 20.86 Favored Glycine 0 C--N 1.347 1.183 0 CA-C-N 111.907 -2.406 . . . . 0.0 115.21 178.271 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.667 ' HB3' HD21 ' A' ' 41' ' ' LEU . 60.1 m-20 -71.31 158.37 36.47 Favored 'General case' 0 C--N 1.367 1.365 0 C-N-CA 116.054 -2.258 . . . . 0.0 111.28 179.63 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 74.3 mt -102.51 105.31 17.89 Favored 'Isoleucine or valine' 0 C--N 1.351 0.636 0 CA-C-N 110.878 -2.874 . . . . 0.0 105.016 178.636 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.865 HD11 HD11 ' A' ' 41' ' ' LEU 0.262 3.0 mp -107.06 161.36 14.81 Favored 'General case' 0 N--CA 1.444 -0.75 0 CA-C-N 112.076 -2.329 . . . . 0.0 108.816 -177.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 35.3 mtpt -133.73 108.21 8.38 Favored 'General case' 0 C--O 1.22 -0.485 0 CA-C-N 112.065 -2.334 . . . . 0.0 107.585 176.524 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.426 HG22 ' HB2' ' A' ' 3' ' ' ALA . 0.0 OUTLIER -88.52 102.97 13.34 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.606 0 CA-C-O 124.668 2.175 . . . . 0.0 105.27 -177.507 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 28.7 tp -92.88 -48.72 6.4 Favored 'General case' 0 N--CA 1.443 -0.786 1 CA-C-N 107.41 -4.45 . . . . 0.0 112.759 -176.666 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 -137.6 147.78 45.32 Favored 'General case' 0 C--N 1.357 0.897 0 O-C-N 124.777 1.298 . . . . 0.0 112.278 -177.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 15.7 mp0 -132.55 90.05 2.73 Favored 'General case' 0 CA--C 1.544 0.737 0 N-CA-C 103.466 -2.791 . . . . 0.0 103.466 178.122 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -96.29 97.2 9.31 Favored 'General case' 0 N--CA 1.434 -1.258 0 CA-C-N 112.655 -2.066 . . . . 0.0 113.658 -175.14 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 13.9 t 68.6 -9.22 0.56 Allowed 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 109.537 -3.483 . . . . 0.0 116.382 175.373 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -126.14 158.43 35.54 Favored 'General case' 0 C--N 1.35 0.601 0 CA-C-O 122.999 1.38 . . . . 0.0 109.873 -179.123 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 25.0 tt0 -84.28 -76.16 0.31 Allowed 'General case' 0 N--CA 1.436 -1.164 0 CA-C-N 111.206 -2.724 . . . . 0.0 107.173 179.039 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.485 ' O ' ' HA ' ' A' ' 49' ' ' PRO . 87.9 m-20 -40.81 -20.51 0.01 OUTLIER 'General case' 0 N--CA 1.44 -0.941 1 C-N-CA 134.751 5.22 . . . . 0.0 114.425 179.05 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 78.0 m95 -135.86 118.23 15.71 Favored 'General case' 0 C--N 1.346 0.421 0 CA-C-O 123.509 1.623 . . . . 0.0 109.859 -179.511 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.452 ' O ' ' HA ' ' A' ' 47' ' ' PHE 0.273 13.4 m-30 -104.7 140.09 38.56 Favored 'General case' 0 C--O 1.217 -0.644 0 CA-C-N 109.569 -3.469 . . . . 0.0 110.087 179.395 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 61.7 tttm -99.79 90.02 4.3 Favored 'General case' 0 CA--C 1.535 0.383 0 N-CA-C 104.811 -2.292 . . . . 0.0 104.811 177.723 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -102.19 -173.1 2.26 Favored 'General case' 0 C--N 1.352 0.683 0 CA-C-N 112.185 -2.28 . . . . 0.0 109.805 -177.801 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -129.87 131.83 46.22 Favored 'General case' 0 C--N 1.354 0.763 0 O-C-N 125.256 1.598 . . . . 0.0 111.191 -178.117 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.865 HD11 HD11 ' A' ' 25' ' ' LEU 0.25 8.3 mt -160.29 141.98 12.6 Favored 'General case' 0 CA--C 1.496 -1.122 0 CA-C-N 111.851 -2.431 . . . . 0.0 114.111 178.442 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 57.79 29.42 17.42 Favored 'General case' 0 CA--C 1.545 0.761 0 CA-C-N 109.035 -3.712 . . . . 0.0 112.88 173.389 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 72.58 17.92 78.24 Favored Glycine 0 CA--C 1.539 1.531 0 CA-C-N 112.93 -1.941 . . . . 0.0 113.569 -179.463 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -136.5 135.24 38.39 Favored 'General case' 0 C--N 1.353 0.719 0 N-CA-C 108.091 -1.078 . . . . 0.0 108.091 -179.484 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -98.93 148.42 23.98 Favored 'General case' 0 CA--C 1.544 0.719 0 N-CA-C 106.453 -1.684 . . . . 0.0 106.453 177.144 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -176.23 167.0 38.41 Favored Glycine 0 C--N 1.339 0.705 0 C-N-CA 119.137 -1.506 . . . . 0.0 111.119 -178.085 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.452 ' HA ' ' O ' ' A' ' 37' ' ' TYR . 75.4 m-85 -79.45 140.48 37.33 Favored 'General case' 0 CA--C 1.54 0.592 0 CA-C-N 112.789 -1.706 . . . . 0.0 110.417 -179.445 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.491 ' CD1' HD23 ' A' ' 25' ' ' LEU . 45.3 pt -139.36 144.63 40.85 Favored Pre-proline 0 CA--C 1.545 0.762 0 CA-C-N 112.847 -1.979 . . . . 0.0 108.347 -179.092 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.485 ' HA ' ' O ' ' A' ' 35' ' ' ASN . 1.9 Cg_endo -66.72 140.57 56.6 Favored 'Trans proline' 0 C--N 1.364 1.357 0 C-N-CA 121.908 1.739 . . . . 0.0 114.811 -179.457 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 20.7 mtpt -70.65 -35.4 72.86 Favored 'General case' 0 C--N 1.376 1.751 0 C-N-CA 114.714 -2.794 . . . . 0.0 112.364 179.074 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 19.0 p-10 -59.1 -20.72 56.03 Favored 'General case' 0 CA--C 1.554 1.102 0 CA-C-N 114.44 -1.254 . . . . 0.0 113.851 179.523 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -92.77 -0.43 57.27 Favored 'General case' 0 CA--C 1.553 1.07 0 N-CA-C 113.824 1.046 . . . . 0.0 113.824 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.728 HD12 ' HB1' ' A' ' 3' ' ' ALA . 0.1 OUTLIER -132.34 172.97 15.49 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.128 0 CA-C-O 122.772 1.272 . . . . 0.0 111.414 -179.907 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.475 ' N ' ' CG1' ' A' ' 53' ' ' ILE . 37.2 tt0 -129.6 127.15 40.06 Favored 'General case' 0 C--N 1.354 0.784 0 C-N-CA 128.811 2.845 . . . . 0.0 107.133 177.234 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 56.9 mtm -87.68 165.76 15.16 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-N 114.2 -1.364 . . . . 0.0 109.865 179.291 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 28.4 mmmt -153.97 88.58 3.51 Favored Pre-proline 0 CA--C 1.55 0.962 0 CA-C-N 112.421 -2.172 . . . . 0.0 108.624 -179.115 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_endo . . . . . 0 C--N 1.367 1.522 0 C-N-CA 121.352 1.368 . . . . 0.0 112.89 -179.644 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.226 -0.184 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 51.0 t -124.89 86.94 55.78 Favored Pre-proline 0 CA--C 1.546 0.823 0 O-C-N 125.638 1.836 . . . . 0.0 107.373 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -54.87 152.38 29.17 Favored 'Trans proline' 0 CA--C 1.562 1.875 0 C-N-CA 121.984 1.789 . . . . 0.0 115.936 -179.386 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_exo -48.39 158.78 0.92 Allowed 'Trans proline' 0 C--N 1.368 1.601 0 C-N-CA 125.085 3.857 . . . . 0.0 118.783 179.359 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -78.9 123.39 5.73 Favored 'Trans proline' 0 C--N 1.367 1.512 0 N-CA-C 105.666 -2.475 . . . . 0.0 105.666 175.278 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . 0.415 ' HA ' ' HD3' ' B' ' 6' ' ' PRO . 1.5 t -69.01 137.66 89.76 Favored Pre-proline 0 CA--C 1.547 0.833 0 CA-C-N 111.465 -2.607 . . . . 0.0 112.668 -176.244 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 6' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' B' ' 5' ' ' VAL . 26.6 Cg_exo -64.1 162.45 29.52 Favored 'Trans proline' 0 C--N 1.366 1.456 0 C-N-CA 121.786 1.657 . . . . 0.0 113.023 179.01 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_endo -80.77 115.97 3.13 Favored 'Trans proline' 0 CA--C 1.547 1.15 0 N-CA-C 107.755 -1.671 . . . . 0.0 107.755 175.286 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 2.3 ppt_? -69.14 156.65 38.33 Favored 'General case' 0 C--N 1.356 0.866 0 C-N-CA 119.313 -0.955 . . . . 0.0 108.973 178.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 91.4 mtt180 66.41 42.43 2.95 Favored 'General case' 0 CA--C 1.551 1.012 0 CA-C-N 113.135 -1.848 . . . . 0.0 108.526 -177.7 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 18.3 mmt180 74.79 142.19 0.07 Allowed 'General case' 0 C--N 1.357 0.909 0 C-N-CA 129.291 3.036 . . . . 0.0 111.64 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.345 0.373 0 CA-C-N 111.841 -2.436 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.47 ' SD ' ' HA ' ' A' ' 56' ' ' LYS . 55.0 tpp . . . . . 0 N--CA 1.441 -0.914 0 N-CA-C 103.782 -2.673 . . . . 0.0 103.782 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -78.51 143.17 36.83 Favored 'General case' 0 C--N 1.351 0.644 0 CA-C-N 113.415 -1.72 . . . . 0.0 108.931 -178.291 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.637 ' HB1' ' CD1' ' A' ' 53' ' ' ILE . . . -134.87 135.85 41.97 Favored 'General case' 0 N--CA 1.444 -0.769 0 CA-C-N 110.186 -3.188 . . . . 0.0 103.634 -179.136 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 4.0 mp -138.94 129.02 32.17 Favored 'Isoleucine or valine' 0 C--N 1.346 0.448 0 O-C-N 124.177 0.923 . . . . 0.0 110.861 -175.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -67.09 121.45 15.62 Favored 'General case' 0 CA--C 1.549 0.916 0 CA-C-N 113.893 -1.503 . . . . 0.0 110.117 178.58 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 28.0 mtpp -88.67 -25.46 22.37 Favored 'General case' 0 C--N 1.346 0.413 0 CA-C-N 114.181 -1.372 . . . . 0.0 113.276 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -139.83 173.65 11.32 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 112.028 -2.351 . . . . 0.0 109.879 -178.5 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 -82.96 128.08 34.13 Favored 'General case' 0 C--N 1.347 0.458 0 CA-C-N 110.597 -3.001 . . . . 0.0 107.182 179.653 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 19.8 t80 -138.66 155.71 48.05 Favored 'General case' 0 C--N 1.35 0.624 0 CA-C-O 124.39 2.043 . . . . 0.0 112.121 -178.728 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.45 ' H ' ' HD3' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -133.51 125.03 28.05 Favored 'General case' 0 CA--C 1.543 0.689 0 CA-C-N 109.36 -3.563 . . . . 0.0 108.243 178.568 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -51.28 161.58 0.42 Allowed 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 113.236 -1.802 . . . . 0.0 113.406 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -108.83 46.86 0.94 Allowed 'General case' 0 CA--C 1.544 0.733 0 CA-C-N 111.811 -2.449 . . . . 0.0 107.672 177.219 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 77.14 159.88 0.21 Allowed 'General case' 0 C--O 1.212 -0.911 0 CA-C-N 109.318 -3.583 . . . . 0.0 108.36 -178.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -6.91 -41.89 0.0 OUTLIER 'General case' 0 CA--C 1.551 1.0 1 C-N-CA 132.891 4.476 . . . . 0.0 118.037 -178.465 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 24.8 p-10 -63.05 -33.26 75.05 Favored 'General case' 0 CA--C 1.554 1.116 0 CA-C-O 123.511 1.624 . . . . 0.0 111.145 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -102.73 156.19 17.8 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-N 110.947 -2.842 . . . . 0.0 108.256 177.307 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . 0.267 3.9 pp -134.45 152.28 51.69 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 112.215 -2.266 . . . . 0.0 107.943 176.827 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 42.2 m -85.78 160.85 19.38 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 111.117 -2.765 . . . . 0.0 112.386 -175.528 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 33.7 p90 -160.18 148.35 16.77 Favored 'General case' 0 C--N 1.346 0.441 0 CA-C-N 111.202 -2.726 . . . . 0.0 106.463 177.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.34 146.08 32.03 Favored 'General case' 0 N--CA 1.447 -0.58 0 N-CA-C 104.847 -2.279 . . . . 0.0 104.847 178.5 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 19.6 ttm180 -46.94 115.44 1.07 Allowed 'General case' 0 CA--C 1.55 0.946 0 CA-C-N 114.208 -1.36 . . . . 0.0 111.37 177.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 112.23 -3.59 26.8 Favored Glycine 0 CA--C 1.528 0.871 0 CA-C-N 112.46 -2.155 . . . . 0.0 113.292 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 32.3 m-20 -72.85 150.37 42.74 Favored 'General case' 0 C--N 1.369 1.438 0 C-N-CA 115.785 -2.366 . . . . 0.0 109.05 179.775 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 46.7 mm -101.46 123.87 54.84 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.382 0 CA-C-N 112.64 -2.073 . . . . 0.0 106.708 179.675 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.619 ' HB2' ' HB3' ' A' ' 3' ' ' ALA 0.27 1.5 mm? -105.97 166.1 10.73 Favored 'General case' 0 N--CA 1.443 -0.823 0 CA-C-N 112.053 -2.34 . . . . 0.0 110.238 -178.952 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 12.5 ttpt -136.25 112.82 10.05 Favored 'General case' 0 C--O 1.217 -0.619 0 CA-C-N 108.847 -3.797 . . . . 0.0 109.167 178.394 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.459 HG22 ' O ' ' A' ' 1' ' ' MET . 2.8 m -88.33 125.98 41.65 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.222 0 CA-C-O 123.885 1.802 . . . . 0.0 110.697 -175.356 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 49.0 tp -91.7 -59.22 2.18 Favored 'General case' 0 C--N 1.349 0.567 0 CA-C-N 109.657 -3.429 . . . . 0.0 111.272 -177.255 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 83.6 m-20 -131.49 128.42 39.34 Favored 'General case' 0 C--N 1.352 0.716 0 O-C-N 125.302 1.626 . . . . 0.0 109.652 -179.211 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -139.76 65.82 1.42 Allowed 'General case' 0 C--N 1.35 0.629 0 CA-C-N 113.476 -1.693 . . . . 0.0 109.097 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -155.82 35.43 0.35 Allowed 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 112.033 -2.349 . . . . 0.0 110.783 -179.313 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 48.3 t -122.38 -59.77 1.61 Allowed 'General case' 0 C--N 1.349 0.548 0 CA-C-N 113.021 -1.9 . . . . 0.0 108.652 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 56.4 m-20 -121.84 152.23 39.78 Favored 'General case' 0 C--N 1.353 0.729 0 CA-C-N 113.655 -1.612 . . . . 0.0 108.97 179.256 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -115.27 48.81 1.13 Allowed 'General case' 0 C--N 1.346 0.436 0 CA-C-N 112.436 -2.165 . . . . 0.0 107.097 179.309 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -163.45 -25.88 0.04 OUTLIER 'General case' 0 N--CA 1.445 -0.71 0 CA-C-N 111.091 -2.777 . . . . 0.0 109.422 -176.621 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 57.8 m95 -137.99 137.79 38.24 Favored 'General case' 0 C--N 1.359 1.011 0 O-C-N 123.992 0.808 . . . . 0.0 109.284 179.571 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 32.8 m-85 -106.98 143.39 35.15 Favored 'General case' 0 C--N 1.347 0.499 0 CA-C-N 113.412 -1.722 . . . . 0.0 107.888 178.694 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.4 ttmp? -101.42 92.58 4.99 Favored 'General case' 0 C--N 1.35 0.59 0 N-CA-C 105.895 -1.891 . . . . 0.0 105.895 177.611 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -103.7 -174.17 2.48 Favored 'General case' 0 C--N 1.355 0.843 0 CA-C-N 113.616 -1.629 . . . . 0.0 111.359 -177.652 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -125.82 134.51 51.65 Favored 'General case' 0 C--N 1.358 0.975 0 O-C-N 125.528 1.768 . . . . 0.0 110.795 -178.209 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.564 HD11 HD11 ' A' ' 25' ' ' LEU 0.303 10.4 mt -162.51 144.72 10.81 Favored 'General case' 0 C--N 1.352 0.703 0 CA-C-N 110.136 -3.211 . . . . 0.0 113.551 178.253 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 54.72 37.89 29.1 Favored 'General case' 0 CA--C 1.543 0.683 0 CA-C-N 110.199 -3.182 . . . . 0.0 114.748 170.811 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 72.52 13.88 77.58 Favored Glycine 0 CA--C 1.54 1.629 0 CA-C-N 113.764 -1.562 . . . . 0.0 114.127 -179.774 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 55.3 mtmt -134.09 178.42 6.98 Favored 'General case' 0 C--N 1.354 0.788 0 CA-C-O 122.141 0.972 . . . . 0.0 108.769 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 12.8 p-10 -142.52 135.95 28.84 Favored 'General case' 0 CA--C 1.543 0.686 0 CA-C-N 112.251 -2.25 . . . . 0.0 106.588 178.746 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -167.77 175.69 42.61 Favored Glycine 0 C--N 1.346 1.129 0 C-N-CA 118.821 -1.657 . . . . 0.0 111.547 -176.663 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 80.3 m-85 -79.84 138.86 37.31 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 111.803 -2.198 . . . . 0.0 111.996 -179.169 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 31.6 pt -136.42 135.17 20.38 Favored Pre-proline 0 CA--C 1.544 0.716 0 CA-C-N 111.693 -2.503 . . . . 0.0 105.813 179.372 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.43 ' HB3' ' HD2' ' B' ' 6' ' ' PRO . 4.4 Cg_endo -68.4 137.27 39.26 Favored 'Trans proline' 0 C--N 1.363 1.328 0 C-N-CA 121.295 1.33 . . . . 0.0 112.884 -178.415 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.43 -16.25 62.38 Favored 'General case' 0 C--N 1.356 0.876 0 C-N-CA 116.127 -2.229 . . . . 0.0 114.331 -179.042 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . 0.257 0.8 OUTLIER -82.17 -13.78 56.63 Favored 'General case' 0 C--N 1.359 1.01 0 C-N-CA 118.081 -1.447 . . . . 0.0 111.221 177.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.478 ' CE1' HG22 ' B' ' 5' ' ' VAL . 8.7 m-85 -93.42 -2.12 54.97 Favored 'General case' 0 C--N 1.356 0.851 0 C-N-CA 118.985 -1.086 . . . . 0.0 112.218 177.714 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.637 ' CD1' ' HB1' ' A' ' 3' ' ' ALA . 0.0 OUTLIER -134.33 159.09 42.19 Favored 'Isoleucine or valine' 0 C--N 1.36 1.062 0 CA-C-O 122.46 1.124 . . . . 0.0 112.828 179.868 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.431 ' N ' HG13 ' A' ' 53' ' ' ILE . 39.9 tt0 -106.27 119.46 39.29 Favored 'General case' 0 C--N 1.357 0.931 0 CA-C-N 111.437 -2.619 . . . . 0.0 105.389 175.204 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . 0.446 ' O ' ' HD2' ' A' ' 57' ' ' PRO 0.266 3.3 mpp? -88.07 -169.5 2.6 Favored 'General case' 0 C--N 1.344 0.346 0 CA-C-O 122.1 0.952 . . . . 0.0 111.139 -178.569 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.52 ' HB2' ' CD ' ' A' ' 57' ' ' PRO 0.496 75.2 mttt 40.53 -83.17 0.0 OUTLIER Pre-proline 0 C--N 1.359 1.021 1 C-N-CA 132.411 4.284 . . . . 0.0 115.239 172.189 . . . . . . . . 4 3 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.52 ' CD ' ' HB2' ' A' ' 56' ' ' LYS . 90.6 Cg_exo . . . . . 0 C--N 1.38 2.195 0 C-N-CA 124.893 3.729 . . . . 0.0 118.908 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.223 -0.333 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 96.4 t 18.28 83.04 0.09 OUTLIER Pre-proline 0 CA--C 1.551 1.001 0 C-N-CA 127.904 2.482 . . . . 0.0 112.62 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -50.37 150.85 10.6 Favored 'Trans proline' 0 CA--C 1.559 1.752 0 C-N-CA 122.247 1.964 . . . . 0.0 115.745 -179.194 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_exo -52.73 161.23 3.21 Favored 'Trans proline' 0 C--N 1.367 1.53 0 C-N-CA 124.297 3.331 . . . . 0.0 117.202 179.356 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -79.13 122.51 5.28 Favored 'Trans proline' 0 C--N 1.365 1.433 0 N-CA-C 106.254 -2.249 . . . . 0.0 106.254 175.092 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . 0.478 HG22 ' CE1' ' A' ' 52' ' ' TYR . 2.1 t -68.21 139.41 92.46 Favored Pre-proline 0 CA--C 1.546 0.826 0 CA-C-N 111.651 -2.522 . . . . 0.0 111.83 -176.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 6' ' ' PRO . . . . . 0.43 ' HD2' ' HB3' ' A' ' 49' ' ' PRO . 27.4 Cg_exo -61.42 158.56 35.44 Favored 'Trans proline' 0 C--N 1.363 1.314 0 C-N-CA 121.515 1.477 . . . . 0.0 114.116 178.672 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -82.39 112.48 2.21 Favored 'Trans proline' 0 CA--C 1.544 1.023 0 N-CA-C 108.946 -1.213 . . . . 0.0 108.946 176.56 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 4.9 ppt_? -84.78 162.47 19.58 Favored 'General case' 0 C--N 1.351 0.645 0 CA-C-N 115.097 -0.956 . . . . 0.0 109.074 179.438 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 25.3 ttt-85 79.42 74.44 0.04 OUTLIER 'General case' 0 N--CA 1.446 -0.65 0 CA-C-N 113.272 -1.785 . . . . 0.0 109.229 -178.283 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 52.4 mmm-85 -33.73 -55.05 0.46 Allowed 'General case' 0 C--N 1.355 0.836 0 CA-C-N 110.785 -2.916 . . . . 0.0 113.21 -179.314 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.448 0 CA-C-N 110.747 -2.933 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.502 ' SD ' ' SD ' ' A' ' 55' ' ' MET . 2.7 ptt? . . . . . 0 CA--C 1.53 0.192 0 CA-C-O 121.27 0.557 . . . . 0.0 109.529 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 20.5 tp10 -76.42 158.0 31.76 Favored 'General case' 0 C--N 1.354 0.771 0 N-CA-C 106.432 -1.692 . . . . 0.0 106.432 179.019 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.564 ' HB1' ' CD1' ' A' ' 53' ' ' ILE . . . -140.55 133.95 29.87 Favored 'General case' 0 N--CA 1.451 -0.394 0 N-CA-C 105.431 -2.063 . . . . 0.0 105.431 178.428 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 19.4 mt -144.26 127.46 11.95 Favored 'Isoleucine or valine' 0 C--N 1.345 0.384 0 CA-C-N 114.737 -1.12 . . . . 0.0 109.967 -176.029 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.406 ' HB3' ' H ' ' A' ' 22' ' ' GLY . . . -67.12 120.05 13.07 Favored 'General case' 0 CA--C 1.543 0.683 0 CA-C-N 112.0 -2.364 . . . . 0.0 109.795 178.163 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 30.7 mtmt -86.9 -22.93 25.39 Favored 'General case' 0 C--N 1.342 0.263 0 CA-C-N 113.626 -1.624 . . . . 0.0 109.616 178.535 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 89.0 m-85 -141.31 173.28 11.64 Favored 'General case' 0 C--N 1.348 0.505 0 O-C-N 126.173 2.171 . . . . 0.0 111.356 -179.458 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 -81.82 126.9 32.41 Favored 'General case' 0 C--N 1.347 0.478 0 CA-C-N 109.551 -3.477 . . . . 0.0 107.692 179.466 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 17.3 t80 -139.02 142.56 38.26 Favored 'General case' 0 C--N 1.348 0.517 0 CA-C-O 123.92 1.819 . . . . 0.0 111.376 -179.413 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 16.0 tptp -130.21 101.61 5.86 Favored 'General case' 0 N--CA 1.443 -0.778 0 CA-C-N 110.158 -3.201 . . . . 0.0 106.647 178.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -53.48 157.71 2.01 Favored 'General case' 0 C--N 1.358 0.969 0 CA-C-O 123.6 1.667 . . . . 0.0 112.777 179.229 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -86.23 -25.53 25.54 Favored 'General case' 0 CA--C 1.547 0.865 0 CA-C-N 109.903 -3.317 . . . . 0.0 105.852 175.114 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 63.48 78.75 0.28 Allowed 'General case' 0 C--N 1.355 0.81 0 CA-C-N 111.145 -2.752 . . . . 0.0 111.361 -179.608 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.55 ' HB3' HH21 ' B' ' 8' ' ' ARG . 1.0 OUTLIER -123.42 11.96 9.35 Favored 'General case' 0 N--CA 1.44 -0.971 1 CA-C-N 105.664 -5.243 . . . . 0.0 108.344 178.844 . . . . . . . . 4 4 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 57.1 p30 127.99 -0.22 0.0 OUTLIER 'General case' 0 C--N 1.362 1.138 0 C-N-CA 130.082 3.353 . . . . 0.0 109.238 -175.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -96.97 155.2 16.88 Favored 'General case' 0 C--N 1.349 0.556 0 CA-C-N 112.383 -2.189 . . . . 0.0 110.945 -177.803 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.0 pp -131.94 157.31 44.37 Favored 'General case' 0 N--CA 1.476 0.836 0 CA-C-N 110.884 -2.871 . . . . 0.0 110.96 178.243 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 39.7 m -86.17 155.12 20.88 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-N 109.379 -3.555 . . . . 0.0 112.157 -176.254 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 29.8 p90 -160.49 146.94 15.42 Favored 'General case' 0 C--N 1.345 0.405 0 CA-C-N 110.236 -3.165 . . . . 0.0 106.587 178.793 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 24.7 mtmt -105.67 148.29 27.55 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-N 112.512 -2.131 . . . . 0.0 106.031 179.272 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 18.2 ttp180 -46.75 110.41 0.28 Allowed 'General case' 0 CA--C 1.549 0.922 0 CA-C-N 113.591 -1.641 . . . . 0.0 112.5 178.408 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.406 ' H ' ' HB3' ' A' ' 5' ' ' ALA . . . 108.18 9.99 26.74 Favored Glycine 0 CA--C 1.532 1.145 0 CA-C-N 111.919 -2.4 . . . . 0.0 114.547 179.34 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 34.8 m-20 -70.54 156.54 39.28 Favored 'General case' 0 C--N 1.367 1.347 0 C-N-CA 116.49 -2.084 . . . . 0.0 109.398 179.706 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 37.5 mm -103.5 110.71 30.73 Favored 'Isoleucine or valine' 0 C--N 1.348 0.53 0 CA-C-N 112.709 -2.041 . . . . 0.0 106.203 179.012 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.561 ' HB2' ' HB3' ' A' ' 3' ' ' ALA . 4.1 mp -110.0 168.88 9.1 Favored 'General case' 0 C--N 1.349 0.544 0 CA-C-N 112.196 -2.275 . . . . 0.0 110.318 -177.67 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 13.4 tmtt? -136.59 109.24 7.48 Favored 'General case' 0 C--O 1.217 -0.64 0 CA-C-N 110.442 -3.072 . . . . 0.0 109.675 178.571 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.45 HG22 ' HB2' ' A' ' 3' ' ' ALA . 0.1 OUTLIER -89.66 114.83 28.19 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.46 0 CA-C-O 123.578 1.656 . . . . 0.0 109.642 -175.269 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.6 tt -90.74 -38.35 13.09 Favored 'General case' 0 CA--C 1.549 0.919 0 CA-C-N 109.407 -3.542 . . . . 0.0 112.01 -176.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 5.7 p-10 -165.17 165.04 20.08 Favored 'General case' 0 C--N 1.36 1.04 0 CA-C-O 122.755 1.264 . . . . 0.0 112.778 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -150.45 80.65 1.35 Allowed 'General case' 0 CA--C 1.546 0.79 0 CA-C-N 111.674 -2.512 . . . . 0.0 105.515 178.773 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -80.71 89.59 5.77 Favored 'General case' 0 N--CA 1.437 -1.094 0 CA-C-O 123.547 1.642 . . . . 0.0 111.494 -177.251 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 2.1 p 68.07 -23.29 0.13 Allowed 'General case' 0 CA--C 1.544 0.73 0 CA-C-N 109.636 -3.438 . . . . 0.0 115.282 177.399 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.8 p30 -68.57 121.74 17.03 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-O 122.638 1.208 . . . . 0.0 111.395 -179.64 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -112.67 54.53 0.71 Allowed 'General case' 0 C--N 1.35 0.604 0 CA-C-N 112.076 -2.329 . . . . 0.0 108.265 179.73 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 31.0 m-20 -169.93 -24.03 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 111.376 -2.647 . . . . 0.0 110.65 -178.763 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 86.0 m95 -137.21 140.73 41.92 Favored 'General case' 0 C--N 1.36 1.053 0 CA-C-O 122.336 1.065 . . . . 0.0 111.276 -179.155 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.401 ' O ' ' HA ' ' A' ' 47' ' ' PHE 0.255 18.4 m-85 -105.47 175.07 5.62 Favored 'General case' 0 C--O 1.218 -0.558 0 N-CA-C 104.977 -2.231 . . . . 0.0 104.977 176.77 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 83.2 tttt -135.87 89.57 2.5 Favored 'General case' 0 CA--C 1.538 0.488 0 N-CA-C 104.11 -2.552 . . . . 0.0 104.11 175.346 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -105.32 -172.0 2.02 Favored 'General case' 0 C--N 1.356 0.888 0 CA-C-N 114.42 -1.264 . . . . 0.0 112.369 -177.12 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 51.6 tt0 -130.76 135.0 47.36 Favored 'General case' 0 C--N 1.355 0.838 0 CA-C-N 113.11 -1.859 . . . . 0.0 109.322 -179.623 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.402 HD11 HD21 ' A' ' 25' ' ' LEU 0.302 12.4 mt -160.23 135.66 8.15 Favored 'General case' 0 CA--C 1.499 -0.996 0 CA-C-N 111.816 -2.447 . . . . 0.0 113.894 179.509 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 57.37 31.45 20.19 Favored 'General case' 0 CA--C 1.549 0.911 0 CA-C-N 110.193 -3.185 . . . . 0.0 113.353 171.843 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 75.25 15.43 81.16 Favored Glycine 0 C--N 1.354 1.563 0 CA-C-N 113.063 -1.881 . . . . 0.0 114.084 -179.668 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 57.9 mtpt -135.41 131.03 35.76 Favored 'General case' 0 C--N 1.354 0.775 0 N-CA-C 109.152 -0.685 . . . . 0.0 109.152 -179.413 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -98.14 146.1 25.92 Favored 'General case' 0 CA--C 1.544 0.724 0 N-CA-C 106.937 -1.505 . . . . 0.0 106.937 177.783 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -178.61 170.9 43.05 Favored Glycine 0 C--N 1.343 0.95 0 C-N-CA 119.103 -1.522 . . . . 0.0 112.119 -177.791 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.401 ' HA ' ' O ' ' A' ' 37' ' ' TYR . 76.9 m-85 -80.85 143.38 32.8 Favored 'General case' 0 C--N 1.349 0.568 0 CA-C-N 112.211 -1.994 . . . . 0.0 110.969 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 26.9 pt -140.23 142.27 29.29 Favored Pre-proline 0 CA--C 1.543 0.687 0 CA-C-N 110.978 -2.828 . . . . 0.0 106.082 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -71.92 143.63 41.35 Favored 'Trans proline' 0 C--N 1.361 1.197 0 C-N-CA 121.192 1.261 . . . . 0.0 112.698 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 83.2 mttt -71.71 -26.84 62.66 Favored 'General case' 0 C--N 1.355 0.816 0 C-N-CA 118.495 -1.282 . . . . 0.0 111.936 -179.501 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . 0.303 1.2 p-10 -75.84 -12.36 60.15 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 117.809 -1.556 . . . . 0.0 112.56 178.56 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.4 ' CE1' HG22 ' B' ' 5' ' ' VAL . 8.8 m-85 -94.1 -8.46 39.56 Favored 'General case' 0 C--N 1.357 0.92 0 C-N-CA 118.986 -1.086 . . . . 0.0 113.759 177.513 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.564 ' CD1' ' HB1' ' A' ' 3' ' ' ALA . 0.1 OUTLIER -133.12 171.26 18.44 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.189 0 CA-C-O 122.739 1.257 . . . . 0.0 110.793 -179.78 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.485 ' N ' HG13 ' A' ' 53' ' ' ILE . 27.9 tt0 -131.21 137.35 48.9 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 128.923 2.889 . . . . 0.0 104.499 175.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . 0.502 ' SD ' ' SD ' ' A' ' 1' ' ' MET . 72.0 mtm -86.25 -77.81 0.3 Allowed 'General case' 0 C--N 1.352 0.713 0 CA-C-O 124.401 2.048 . . . . 0.0 113.95 -177.701 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 12.0 mmmm 65.86 97.39 0.04 OUTLIER Pre-proline 0 CA--C 1.554 1.097 1 CA-C-N 107.242 -4.526 . . . . 0.0 110.304 -177.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 23.1 Cg_endo . . . . . 0 C--N 1.367 1.514 0 C-N-CA 121.158 1.239 . . . . 0.0 109.62 177.455 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.224 -0.28 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 61.5 t -124.25 84.53 55.89 Favored Pre-proline 0 CA--C 1.54 0.595 0 O-C-N 125.576 1.798 . . . . 0.0 107.056 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 5.9 Cg_endo -68.09 163.46 35.85 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 122.827 0.909 . . . . 0.0 114.015 -179.163 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 69.9 Cg_exo -37.63 154.94 0.03 OUTLIER 'Trans proline' 0 C--N 1.367 1.542 0 C-N-CA 125.134 3.889 . . . . 0.0 118.928 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -75.43 120.4 5.92 Favored 'Trans proline' 0 C--N 1.365 1.407 0 N-CA-C 106.032 -2.334 . . . . 0.0 106.032 175.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . 0.4 HG22 ' CE1' ' A' ' 52' ' ' TYR . 2.6 t -66.07 137.86 95.97 Favored Pre-proline 0 CA--C 1.548 0.898 0 CA-C-N 112.092 -2.322 . . . . 0.0 110.474 -177.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 12.9 Cg_exo -60.16 156.82 37.78 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 123.256 1.134 . . . . 0.0 113.123 179.546 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -77.21 111.33 3.18 Favored 'Trans proline' 0 C--N 1.357 1.015 0 N-CA-C 108.549 -1.366 . . . . 0.0 108.549 177.082 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . 0.55 HH21 ' HB3' ' A' ' 14' ' ' ASP . 33.4 ttp85 -86.19 101.61 13.16 Favored 'General case' 0 C--N 1.351 0.667 0 CA-C-O 123.056 1.408 . . . . 0.0 108.503 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . 0.278 5.9 mmp_? -111.05 -97.86 0.41 Allowed 'General case' 0 N--CA 1.431 -1.38 0 CA-C-N 111.066 -2.788 . . . . 0.0 108.934 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 15.4 mmm180 67.48 127.25 0.02 OUTLIER 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 108.847 -3.797 . . . . 0.0 109.975 -179.841 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.337 0.064 0 CA-C-N 112.079 -2.328 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 57.9 ttp . . . . . 0 CA--C 1.537 0.464 0 CA-C-O 121.728 0.775 . . . . 0.0 110.644 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -88.68 115.46 26.23 Favored 'General case' 0 C--N 1.358 0.97 0 CA-C-N 112.41 -2.177 . . . . 0.0 108.782 179.359 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.648 ' HB1' HD12 ' A' ' 53' ' ' ILE . . . -103.02 142.22 34.47 Favored 'General case' 0 C--N 1.348 0.541 0 CA-C-N 111.675 -2.511 . . . . 0.0 109.465 -179.461 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.416 ' H ' HG13 ' A' ' 53' ' ' ILE . 16.2 mt -147.55 110.73 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.35 0.616 0 CA-C-N 112.47 -2.15 . . . . 0.0 107.796 -178.326 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -65.7 128.28 35.32 Favored 'General case' 0 CA--C 1.545 0.764 0 CA-C-O 122.378 1.085 . . . . 0.0 110.12 179.778 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 5.7 mtmp? -87.78 -25.89 23.14 Favored 'General case' 0 C--O 1.221 -0.41 0 CA-C-N 112.545 -2.116 . . . . 0.0 110.912 179.428 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 91.3 m-85 -138.09 166.59 23.75 Favored 'General case' 0 C--N 1.347 0.495 0 CA-C-O 123.751 1.738 . . . . 0.0 109.734 -179.112 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -85.19 132.96 34.21 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 109.608 -3.451 . . . . 0.0 106.622 179.352 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 21.2 t80 -139.24 157.89 45.12 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 111.966 -2.379 . . . . 0.0 111.214 -178.151 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.2 tppp? -134.13 118.83 18.13 Favored 'General case' 0 N--CA 1.442 -0.873 1 CA-C-N 108.391 -4.004 . . . . 0.0 106.019 178.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -50.18 154.09 1.28 Allowed 'General case' 0 C--N 1.359 1.001 0 CA-C-O 123.47 1.605 . . . . 0.0 113.003 179.101 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -104.01 -17.85 14.81 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-N 109.888 -3.324 . . . . 0.0 112.173 -179.164 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -151.96 175.98 11.96 Favored 'General case' 0 C--N 1.35 0.612 0 CA-C-N 114.212 -1.358 . . . . 0.0 109.148 -179.727 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -70.91 -27.69 63.97 Favored 'General case' 0 CA--C 1.547 0.832 0 CA-C-N 111.543 -2.571 . . . . 0.0 112.94 -178.598 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -80.0 -20.35 45.65 Favored 'General case' 0 CA--C 1.547 0.849 0 CA-C-N 115.06 -0.973 . . . . 0.0 110.731 178.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -97.82 155.18 17.17 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-N 113.484 -1.689 . . . . 0.0 108.01 178.226 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.3 pp -135.68 164.39 27.98 Favored 'General case' 0 C--N 1.351 0.674 0 CA-C-N 111.753 -2.476 . . . . 0.0 109.945 177.185 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 50.6 m -87.1 158.27 19.22 Favored 'General case' 0 N--CA 1.438 -1.071 0 CA-C-N 108.639 -3.891 . . . . 0.0 112.484 -176.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 24.7 p90 -159.5 151.82 21.09 Favored 'General case' 0 C--O 1.222 -0.356 0 CA-C-N 109.339 -3.573 . . . . 0.0 105.772 177.673 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 18.3 mmtt -110.77 146.23 36.73 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 112.846 -1.979 . . . . 0.0 106.513 -179.663 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 12.5 ttt85 -46.18 111.75 0.4 Allowed 'General case' 0 CA--C 1.554 1.116 0 O-C-N 124.798 1.311 . . . . 0.0 112.468 178.355 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 106.09 11.58 27.58 Favored Glycine 0 CA--C 1.532 1.128 0 CA-C-N 111.473 -2.603 . . . . 0.0 114.401 179.08 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 40.6 m-20 -79.11 144.44 34.54 Favored 'General case' 0 C--N 1.366 1.313 0 C-N-CA 116.133 -2.227 . . . . 0.0 109.554 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 71.7 mt -100.98 124.11 54.41 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.576 0 N-CA-C 105.722 -1.955 . . . . 0.0 105.722 178.64 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.548 ' HB2' ' HB3' ' A' ' 3' ' ' ALA . 2.3 mp -114.76 161.78 17.72 Favored 'General case' 0 C--N 1.354 0.765 0 CA-C-N 113.174 -1.83 . . . . 0.0 109.628 -178.416 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 81.4 tttt -111.5 111.58 22.7 Favored 'General case' 0 C--O 1.217 -0.651 0 CA-C-N 110.301 -3.136 . . . . 0.0 110.09 178.178 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.548 HG23 ' HB2' ' A' ' 3' ' ' ALA . 70.2 t -89.79 104.26 14.95 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.362 0 N-CA-C 106.745 -1.576 . . . . 0.0 106.745 -177.596 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -90.45 -32.43 16.4 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-N 110.564 -3.016 . . . . 0.0 109.765 -177.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 43.2 t30 -142.25 156.42 45.29 Favored 'General case' 0 CA--C 1.548 0.882 0 CA-C-N 114.084 -1.417 . . . . 0.0 109.35 -179.631 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -160.9 50.22 0.25 Allowed 'General case' 0 CA--C 1.546 0.818 0 CA-C-N 113.475 -1.693 . . . . 0.0 109.434 -179.329 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -138.81 103.71 4.89 Favored 'General case' 0 N--CA 1.435 -1.208 0 N-CA-C 105.162 -2.162 . . . . 0.0 105.162 -178.387 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 4.9 m 172.28 -45.28 0.01 OUTLIER 'General case' 0 C--O 1.225 -0.188 0 CA-C-N 110.88 -2.873 . . . . 0.0 105.478 -178.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.571 ' HB2' ' HD2' ' B' ' 10' ' ' ARG . 36.5 t0 -171.03 168.51 6.91 Favored 'General case' 0 C--N 1.354 0.766 0 CA-C-N 111.908 -2.405 . . . . 0.0 108.895 179.548 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 97.4 mm-40 -72.4 -67.58 0.54 Allowed 'General case' 0 C--N 1.35 0.622 0 CA-C-N 113.44 -1.709 . . . . 0.0 107.051 177.754 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.513 ' O ' ' HA ' ' A' ' 49' ' ' PRO . 23.2 m120 -44.73 -22.27 0.08 Allowed 'General case' 0 C--O 1.215 -0.718 1 C-N-CA 133.656 4.783 . . . . 0.0 112.31 178.284 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 70.0 m95 -138.48 117.61 12.61 Favored 'General case' 0 C--N 1.345 0.404 0 C-N-CA 118.039 -1.464 . . . . 0.0 109.685 178.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.46 ' O ' ' HA ' ' A' ' 47' ' ' PHE . 24.4 m-85 -102.05 168.63 9.27 Favored 'General case' 0 C--O 1.215 -0.739 0 CA-C-N 110.677 -2.965 . . . . 0.0 106.607 177.665 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 53.1 tttm -123.89 111.94 16.66 Favored 'General case' 0 N--CA 1.448 -0.527 0 O-C-N 125.809 1.943 . . . . 0.0 106.334 179.399 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -133.9 -179.1 5.33 Favored 'General case' 0 C--N 1.352 0.698 0 CA-C-N 114.277 -1.329 . . . . 0.0 110.553 -177.494 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -122.98 150.38 43.07 Favored 'General case' 0 C--N 1.354 0.795 0 CA-C-O 123.804 1.764 . . . . 0.0 111.518 -177.569 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . 0.27 12.1 mt -159.79 169.2 24.12 Favored 'General case' 0 CA--C 1.503 -0.848 0 CA-C-N 109.129 -3.668 . . . . 0.0 109.707 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . 0.308 1.0 OUTLIER 45.36 -81.85 0.0 OUTLIER 'General case' 0 N--CA 1.438 -1.03 0 CA-C-N 109.056 -3.702 . . . . 0.0 114.456 171.483 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -160.73 10.34 0.13 Allowed Glycine 0 CA--C 1.537 1.424 1 CA-C-N 108.015 -4.175 . . . . 0.0 111.584 178.677 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -137.49 139.71 40.72 Favored 'General case' 0 C--N 1.357 0.898 0 CA-C-O 122.003 0.906 . . . . 0.0 110.445 -179.736 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -102.15 138.01 39.66 Favored 'General case' 0 CA--C 1.559 1.289 0 N-CA-C 105.209 -2.145 . . . . 0.0 105.209 176.053 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -169.58 176.21 43.57 Favored Glycine 0 C--N 1.349 1.259 0 C-N-CA 119.53 -1.319 . . . . 0.0 112.775 -177.534 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.46 ' HA ' ' O ' ' A' ' 37' ' ' TYR . 96.5 m-85 -80.4 144.77 32.41 Favored 'General case' 0 C--N 1.354 0.775 0 CA-C-N 113.285 -1.457 . . . . 0.0 111.901 -179.462 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 25.5 pt -139.15 139.14 22.24 Favored Pre-proline 0 CA--C 1.553 1.082 0 CA-C-N 113.456 -1.702 . . . . 0.0 109.281 -179.611 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.513 ' HA ' ' O ' ' A' ' 35' ' ' ASN . 5.2 Cg_exo -66.89 145.11 73.34 Favored 'Trans proline' 0 CA--C 1.558 1.694 0 C-N-CA 122.296 1.997 . . . . 0.0 115.115 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.411 ' HZ2' ' N ' ' A' ' 35' ' ' ASN . 27.7 mtmm -69.49 -38.65 77.75 Favored 'General case' 0 C--N 1.378 1.843 0 C-N-CA 113.996 -3.081 . . . . 0.0 112.679 178.594 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 20.5 p-10 -58.83 -19.41 41.11 Favored 'General case' 0 CA--C 1.553 1.062 0 N-CA-C 114.42 1.267 . . . . 0.0 114.42 -179.768 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.439 ' CE1' HG22 ' B' ' 5' ' ' VAL . 12.4 m-85 -95.02 -5.95 43.36 Favored 'General case' 0 C--N 1.354 0.766 0 N-CA-C 114.263 1.209 . . . . 0.0 114.263 -179.614 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.648 HD12 ' HB1' ' A' ' 3' ' ' ALA . 0.1 OUTLIER -129.55 162.19 37.59 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.892 0 CA-C-O 123.171 1.462 . . . . 0.0 110.714 -179.355 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -105.39 106.5 17.02 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-N 110.503 -3.044 . . . . 0.0 104.445 177.034 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . 0.498 ' SD ' HG12 ' A' ' 53' ' ' ILE . 4.6 mpp? -91.07 149.39 21.84 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 112.78 -2.009 . . . . 0.0 110.295 179.853 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 51.0 mtmt -153.47 81.99 4.82 Favored Pre-proline 0 CA--C 1.548 0.888 0 CA-C-N 112.999 -1.91 . . . . 0.0 111.131 -179.167 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 95.2 Cg_endo . . . . . 0 C--N 1.371 1.726 0 C-N-CA 122.297 1.998 . . . . 0.0 108.856 176.312 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.224 -0.265 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 2.5 m -69.66 120.55 78.13 Favored Pre-proline 0 N--CA 1.432 -1.338 0 O-C-N 124.644 1.215 . . . . 0.0 108.25 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 2' ' ' PRO . . . . . 0.45 ' HA ' ' HD3' ' B' ' 3' ' ' PRO . 53.3 Cg_exo -47.2 130.87 17.41 Favored 'Trans proline' 0 CA--C 1.578 2.686 0 N-CA-C 116.262 1.601 . . . . 0.0 116.262 -179.308 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 3' ' ' PRO . . . . . 0.45 ' HD3' ' HA ' ' B' ' 2' ' ' PRO . 88.9 Cg_exo -46.29 162.09 0.14 Allowed 'Trans proline' 0 C--N 1.38 2.211 1 C-N-CA 125.977 4.452 . . . . 0.0 119.443 -177.477 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -77.01 113.55 3.64 Favored 'Trans proline' 0 C--N 1.361 1.225 0 N-CA-C 106.552 -2.134 . . . . 0.0 106.552 175.522 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . 0.439 HG22 ' CE1' ' A' ' 52' ' ' TYR . 1.5 t -64.38 134.54 96.02 Favored Pre-proline 0 CA--C 1.56 1.336 0 CA-C-N 111.145 -2.752 . . . . 0.0 111.366 -177.118 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 6' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' B' ' 5' ' ' VAL . 38.2 Cg_exo -57.75 161.04 13.3 Favored 'Trans proline' 0 C--N 1.371 1.736 0 C-N-CA 122.47 2.114 . . . . 0.0 115.482 -179.028 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -76.65 118.0 4.71 Favored 'Trans proline' 0 C--N 1.362 1.262 0 C-N-CA 121.505 1.47 . . . . 0.0 109.64 177.288 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . 0.571 ' HD3' ' H ' ' B' ' 8' ' ' ARG . 0.0 OUTLIER -103.6 124.27 48.5 Favored 'General case' 0 C--N 1.349 0.572 0 CA-C-N 113.905 -1.498 . . . . 0.0 109.016 179.675 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 15.9 ptm180 -167.98 37.53 0.03 OUTLIER 'General case' 0 C--N 1.349 0.579 0 CA-C-N 112.008 -2.36 . . . . 0.0 109.837 179.747 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 10' ' ' ARG . . . . . 0.571 ' HD2' ' HB2' ' A' ' 33' ' ' ASP . 5.9 mtt-85 -116.94 90.12 3.26 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-N 111.322 -2.672 . . . . 0.0 109.977 -178.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.341 0.196 0 CA-C-N 112.585 -2.098 . . . . 0.0 . . . . . . . . . . 0 0 . 1 stop_ save_