data_1egl_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 1egl _Structure_validation_residue.Date_analyzed 2016-10-06 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.9 p . . . . . 0 N--CA 1.454 -0.255 0 CA-C-O 120.644 0.259 . . . . 0.0 110.382 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -128.54 86.37 57.89 Favored Pre-proline 0 N--CA 1.451 -0.411 0 O-C-N 124.398 1.061 . . . . 0.0 111.53 179.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 4.4 Cg_exo -61.81 -56.79 0.67 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.391 1.732 . . . . 0.0 111.579 -179.34 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.9 tm-20 -51.47 -22.15 2.89 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.106 -0.952 . . . . 0.0 111.108 -179.646 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 6.1 t -98.32 49.32 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.094 . . . . 0.0 110.067 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 46.9 t -134.47 110.76 13.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.422 1.076 . . . . 0.0 109.73 179.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 125.52 -19.69 6.64 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.444 1.09 . . . . 0.0 111.801 179.753 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 8.2 mttt -78.37 161.39 27.2 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.492 0.76 . . . . 0.0 109.226 -179.169 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 29.4 p -89.56 163.36 15.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 123.988 0.805 . . . . 0.0 110.782 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 12.9 t -48.1 -57.97 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 O-C-N 124.293 0.995 . . . . 0.0 111.918 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -54.81 -37.75 66.51 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.233 -0.894 . . . . 0.0 111.174 -178.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 7.3 mm100 -62.7 -54.56 37.48 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.543 1.152 . . . . 0.0 109.842 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.09 -0.41 13.94 Favored 'General case' 0 C--N 1.328 -0.358 0 O-C-N 124.753 1.283 . . . . 0.0 113.018 -179.687 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.1 ttm180 -81.63 -47.67 12.72 Favored 'General case' 0 C--N 1.322 -0.624 0 O-C-N 124.558 1.161 . . . . 0.0 109.737 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -76.65 -24.62 53.27 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 114.786 -1.097 . . . . 0.0 110.145 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 27.1 t80 -65.52 -49.9 67.25 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.429 1.08 . . . . 0.0 111.506 -179.628 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -72.45 -23.79 61.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 111.05 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 22.0 m -75.19 -31.75 61.04 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.228 0.955 . . . . 0.0 111.685 -179.706 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 17.0 mt -87.86 -45.08 10.59 Favored 'General case' 0 N--CA 1.45 -0.438 0 N-CA-C 113.841 1.052 . . . . 0.0 113.841 -178.224 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 29.8 m170 -84.58 -42.81 15.08 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.103 0.877 . . . . 0.0 113.267 -178.208 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 37.9 m-85 -121.48 73.51 30.58 Favored Pre-proline 0 C--N 1.323 -0.566 0 N-CA-C 114.878 1.436 . . . . 0.0 114.878 -178.374 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 6.6 Cg_endo -72.63 0.86 6.97 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 123.714 1.376 . . . . 0.0 113.343 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -116.09 21.21 13.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.296 0.997 . . . . 0.0 110.741 179.626 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . 0.26 1.8 m-85 -124.44 118.27 26.28 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.035 -0.984 . . . . 0.0 109.959 179.848 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -85.3 90.63 7.96 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.378 1.049 . . . . 0.0 108.328 178.164 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.6 t -85.68 150.79 3.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 114.62 -1.173 . . . . 0.0 110.161 -179.302 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 54.3 m-85 -127.05 154.11 45.09 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.265 0.978 . . . . 0.0 110.733 179.308 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 41.9 m-85 -140.25 97.34 3.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.105 . . . . 0.0 111.143 -179.699 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 54.8 mt -133.29 161.0 66.42 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.418 1.074 . . . . 0.0 109.184 179.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo . . . . . 0 C--N 1.36 1.173 0 O-C-N 124.613 1.849 . . . . 0.0 110.82 -179.485 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 12.9 m-30 . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 111.948 0.351 . . . . 0.0 111.948 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -101.54 -12.76 18.25 Favored 'General case' 0 N--CA 1.447 -0.592 0 N-CA-C 115.047 1.499 . . . . 0.0 115.047 -177.809 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 3.1 ttm180 -106.86 120.32 41.71 Favored 'General case' 0 C--N 1.323 -0.583 0 O-C-N 123.843 0.715 . . . . 0.0 111.985 -178.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -113.36 137.81 45.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.266 0.979 . . . . 0.0 108.755 179.086 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -115.94 106.19 13.51 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.682 1.239 . . . . 0.0 109.719 179.748 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 9.5 t -97.76 151.17 4.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.495 1.122 . . . . 0.0 109.578 -179.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -123.36 137.69 54.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.632 1.207 . . . . 0.0 110.522 179.513 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 16.0 p90 -132.65 166.2 22.71 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.664 1.228 . . . . 0.0 110.496 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -98.51 130.41 28.14 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 0.0 110.042 -179.403 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -76.01 4.09 5.56 Favored 'Trans proline' 0 C--N 1.362 1.241 0 O-C-N 124.492 1.785 . . . . 0.0 112.689 179.531 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -77.67 -59.85 2.93 Favored Glycine 0 CA--C 1.532 1.118 0 N-CA-C 110.727 -0.949 . . . . 0.0 110.727 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 11.1 t -126.42 22.34 7.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.58 0.812 . . . . 0.0 110.672 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 8.0 m-20 50.99 37.88 18.9 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 115.116 -0.947 . . . . 0.0 111.924 178.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 25.1 t -109.78 146.2 15.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.287 0.992 . . . . 0.0 109.529 179.425 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 48.8 t -88.27 107.15 17.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 114.783 -1.099 . . . . 0.0 109.195 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 20.7 p30 -102.6 -19.65 14.75 Favored 'General case' 0 N--CA 1.452 -0.361 0 O-C-N 124.456 1.098 . . . . 0.0 110.823 -179.753 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 12.0 m80 -93.9 132.7 38.08 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.192 0.933 . . . . 0.0 109.597 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 40.5 t -66.63 115.11 21.12 Favored Pre-proline 0 C--N 1.323 -0.561 0 O-C-N 124.661 1.226 . . . . 0.0 109.071 179.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -73.92 135.89 21.98 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.479 1.778 . . . . 0.0 111.051 -179.607 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 9.1 p80 -139.96 160.98 38.7 Favored 'General case' 0 C--N 1.327 -0.377 0 O-C-N 124.53 1.144 . . . . 0.0 110.05 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 1.2 t . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.797 1.31 . . . . 0.0 108.821 179.288 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 68.0 p . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 110.268 -0.271 . . . . 0.0 110.268 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.446 ' CD1' ' N ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -129.28 100.88 19.68 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 110.85 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 13.3 Cg_endo -71.23 -9.85 26.17 Favored 'Trans proline' 0 C--N 1.363 1.294 0 O-C-N 124.277 1.672 . . . . 0.0 112.588 -179.194 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -71.64 -5.33 32.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.133 0.896 . . . . 0.0 112.415 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -118.95 35.66 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.051 0.844 . . . . 0.0 109.61 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 37.7 t -102.43 126.49 56.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.46 1.1 . . . . 0.0 109.327 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 105.2 -20.77 37.12 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.454 1.096 . . . . 0.0 110.957 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 23.0 mttm -78.97 161.09 26.89 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 -179.409 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 49.9 p -90.04 168.62 11.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.054 0.846 . . . . 0.0 110.21 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 42.3 t -48.09 -60.79 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.562 1.164 . . . . 0.0 111.781 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -50.27 -36.92 33.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.213 0.946 . . . . 0.0 111.223 -179.11 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 17.2 mm-40 -65.02 -50.49 66.05 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.518 1.136 . . . . 0.0 110.155 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.77 -3.03 16.69 Favored 'General case' 0 C--N 1.328 -0.335 0 O-C-N 124.668 1.23 . . . . 0.0 112.944 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 18.1 tpp85 -82.88 -45.87 13.69 Favored 'General case' 0 C--N 1.321 -0.634 0 O-C-N 124.624 1.202 . . . . 0.0 109.612 179.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.8 mp0 -73.22 -31.99 64.5 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 114.794 -1.094 . . . . 0.0 111.228 -179.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 13.9 t80 -64.25 -49.69 70.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.443 1.089 . . . . 0.0 110.873 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 -73.83 -16.82 61.13 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.464 1.102 . . . . 0.0 111.652 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.3 m -76.59 -37.26 56.79 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.151 0.907 . . . . 0.0 111.292 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 10.9 mt -83.49 -44.62 14.51 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 113.663 0.986 . . . . 0.0 113.663 -178.469 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 24.5 m170 -81.34 -44.37 17.71 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.243 0.964 . . . . 0.0 112.226 -178.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 39.3 m-85 -124.36 64.75 38.85 Favored Pre-proline 0 C--O 1.241 0.648 0 N-CA-C 114.674 1.361 . . . . 0.0 114.674 -178.44 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 10.9 Cg_endo -71.18 -1.15 9.14 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 123.524 1.276 . . . . 0.0 113.171 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -107.23 18.05 22.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.275 0.985 . . . . 0.0 111.299 179.856 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . 0.256 1.1 m-30 -123.99 133.63 53.64 Favored 'General case' 0 C--N 1.323 -0.57 0 O-C-N 124.231 0.957 . . . . 0.0 109.574 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -91.07 107.53 19.27 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.4 1.063 . . . . 0.0 108.765 179.281 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 3.7 t -85.95 150.3 3.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.394 1.059 . . . . 0.0 110.687 -179.322 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 33.4 m-85 -146.23 132.44 19.43 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 114.761 -1.109 . . . . 0.0 110.516 179.519 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 50.2 m-85 -106.66 141.01 38.62 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.461 1.101 . . . . 0.0 111.564 -179.694 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 96.9 mt -143.56 159.96 52.7 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.489 1.118 . . . . 0.0 109.038 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_endo . . . . . 0 C--N 1.359 1.12 0 O-C-N 124.402 1.738 . . . . 0.0 111.589 -179.482 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 74.0 m-85 . . . . . 0 CA--C 1.532 0.278 0 N-CA-C 112.024 0.379 . . . . 0.0 112.024 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.7 p-10 -90.95 -9.37 46.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 111.867 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 4.4 ttp180 -94.38 121.03 35.49 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 123.885 0.74 . . . . 0.0 109.991 -179.306 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 2.7 t -94.98 142.96 12.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.417 1.073 . . . . 0.0 109.393 179.73 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 27.4 mtt180 -120.1 129.82 54.36 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.491 1.12 . . . . 0.0 109.523 179.65 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 39.6 t -128.22 154.12 38.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.658 1.224 . . . . 0.0 110.111 -179.547 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 15.4 m-85 -120.72 139.77 52.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 110.376 179.395 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 16.9 p90 -145.21 171.16 14.94 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.727 1.267 . . . . 0.0 110.645 -179.624 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -92.21 116.5 66.59 Favored Pre-proline 0 C--N 1.323 -0.554 0 CA-C-N 114.933 -1.03 . . . . 0.0 108.653 -179.772 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 11.5 Cg_endo -61.0 -6.36 6.11 Favored 'Trans proline' 0 C--N 1.362 1.254 0 O-C-N 124.074 1.565 . . . . 0.0 114.684 -178.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -93.65 -85.31 1.6 Allowed Glycine 0 CA--C 1.528 0.86 0 O-C-N 123.771 0.67 . . . . 0.0 114.288 -178.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 8.5 t -67.62 -21.09 65.41 Favored 'General case' 0 C--N 1.327 -0.376 0 O-C-N 124.049 0.499 . . . . 0.0 111.465 -179.423 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 8.9 m-20 74.62 69.2 0.09 Allowed 'General case' 0 N--CA 1.45 -0.456 0 O-C-N 124.416 1.072 . . . . 0.0 109.88 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 73.5 t -145.06 146.61 19.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 O-C-N 124.335 1.022 . . . . 0.0 109.076 179.694 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 58.6 t -87.58 128.5 40.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.505 1.128 . . . . 0.0 108.838 179.349 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -130.92 23.81 4.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.897 1.373 . . . . 0.0 110.156 -179.764 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 53.6 m-70 -145.78 124.63 12.67 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.45 1.094 . . . . 0.0 109.396 179.734 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 15.0 t -56.72 112.32 4.37 Favored Pre-proline 0 C--N 1.324 -0.534 0 O-C-N 124.712 1.257 . . . . 0.0 108.736 179.401 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -70.46 154.47 64.96 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.562 1.822 . . . . 0.0 111.47 -179.186 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 3.3 p-80 -149.58 163.06 38.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.416 1.072 . . . . 0.0 109.749 -179.591 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.365 179.786 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.235 0 N-CA-C 109.8 -0.445 . . . . 0.0 109.8 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -128.0 102.5 21.79 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.425 1.078 . . . . 0.0 111.084 -179.683 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_endo -78.35 7.38 4.15 Favored 'Trans proline' 0 C--N 1.361 1.235 0 O-C-N 124.199 1.631 . . . . 0.0 112.816 -179.617 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 43.0 tp10 -75.44 -23.23 56.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.036 0.835 . . . . 0.0 112.056 -179.109 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.6 p -84.58 -12.61 11.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.201 0.938 . . . . 0.0 111.439 -179.563 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 37.7 t -68.15 93.54 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 123.821 0.701 . . . . 0.0 109.403 179.728 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 140.61 -35.71 1.84 Allowed Glycine 0 CA--C 1.528 0.88 0 O-C-N 124.31 1.007 . . . . 0.0 112.34 179.744 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.4 -163.98 0.23 Allowed 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 -179.329 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -128.32 167.85 16.36 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.225 0.953 . . . . 0.0 109.635 -179.494 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 12.5 t -47.79 -52.21 6.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 123.73 0.644 . . . . 0.0 112.473 -179.542 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -48.75 -42.98 37.23 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.031 0.832 . . . . 0.0 111.545 -178.634 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 8.7 mm100 -66.45 -45.53 79.48 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.308 1.005 . . . . 0.0 109.75 179.78 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.14 -6.15 32.1 Favored 'General case' 0 N--CA 1.452 -0.34 0 O-C-N 124.835 1.334 . . . . 0.0 113.172 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.58 -47.29 12.28 Favored 'General case' 0 C--N 1.319 -0.753 0 O-C-N 124.93 1.394 . . . . 0.0 109.162 179.58 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -75.03 -24.7 58.36 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 114.675 -1.148 . . . . 0.0 110.248 179.751 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -73.7 -48.42 32.27 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.358 1.036 . . . . 0.0 111.552 -179.711 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -76.87 -23.89 52.61 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.341 1.025 . . . . 0.0 112.303 -179.19 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 3.3 m -77.72 -34.91 52.47 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.221 0.95 . . . . 0.0 112.091 -179.392 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 19.3 mt -82.77 -47.45 11.93 Favored 'General case' 0 N--CA 1.45 -0.427 0 N-CA-C 113.737 1.014 . . . . 0.0 113.737 -178.404 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 26.8 m80 -87.08 -33.76 19.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.054 0.846 . . . . 0.0 112.887 -178.026 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 36.0 m-85 -123.84 62.61 26.92 Favored Pre-proline 0 C--N 1.323 -0.566 0 N-CA-C 115.719 1.748 . . . . 0.0 115.719 -177.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -73.94 2.05 6.43 Favored 'Trans proline' 0 C--N 1.358 1.078 0 O-C-N 123.68 1.358 . . . . 0.0 113.075 179.192 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -111.39 13.23 21.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.23 0.956 . . . . 0.0 111.681 179.692 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . 0.261 0.3 OUTLIER -126.81 122.58 35.15 Favored 'General case' 0 C--N 1.322 -0.612 0 O-C-N 124.129 0.893 . . . . 0.0 109.208 179.956 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -86.87 103.88 15.69 Favored 'General case' 0 C--N 1.323 -0.566 0 O-C-N 124.451 1.094 . . . . 0.0 108.765 178.768 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.7 t -85.39 151.53 3.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.361 1.038 . . . . 0.0 109.896 -179.572 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -132.4 113.1 12.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.367 1.042 . . . . 0.0 110.713 179.502 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 50.0 m-85 -91.72 120.12 32.18 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.234 0.959 . . . . 0.0 111.013 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.4 mt -144.48 161.78 42.47 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.19 0.931 . . . . 0.0 109.172 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo . . . . . 0 C--N 1.36 1.18 0 O-C-N 124.554 1.818 . . . . 0.0 110.548 179.345 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 59.9 m-85 . . . . . 0 N--CA 1.452 -0.351 0 CA-C-O 120.432 0.158 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -88.63 -10.59 48.11 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.592 1.182 . . . . 0.0 111.777 179.544 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 2.8 ttp180 -108.9 115.4 30.0 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 123.994 0.809 . . . . 0.0 110.312 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -95.86 144.84 9.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 O-C-N 124.482 1.114 . . . . 0.0 109.133 179.672 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 41.1 mtt180 -116.91 97.05 5.75 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.679 1.237 . . . . 0.0 109.878 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 82.7 t -91.46 145.07 7.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.647 1.217 . . . . 0.0 109.36 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -118.62 140.25 50.2 Favored 'General case' 0 CA--C 1.535 0.382 0 O-C-N 124.583 1.177 . . . . 0.0 110.569 179.584 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 3.4 p90 -145.83 175.9 10.07 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.436 1.085 . . . . 0.0 110.542 -179.682 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -82.08 137.55 46.27 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.323 1.014 . . . . 0.0 109.634 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_endo -52.13 -56.41 2.94 Favored 'Trans proline' 0 C--N 1.361 1.235 0 O-C-N 124.359 1.715 . . . . 0.0 114.284 -178.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -98.02 -44.43 2.62 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 117.302 1.681 . . . . 0.0 117.302 -177.421 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -69.28 -31.8 70.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.046 0.498 . . . . 0.0 111.15 -178.428 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 65.9 66.04 0.51 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.24 0.963 . . . . 0.0 110.573 179.276 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 97.8 t -142.27 131.93 23.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 O-C-N 124.403 1.065 . . . . 0.0 109.433 179.526 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 17.2 t -69.87 119.65 16.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 114.836 -1.074 . . . . 0.0 109.066 179.585 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -134.64 28.92 3.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.724 1.265 . . . . 0.0 109.426 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 36.9 m80 -148.35 123.97 10.45 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 114.899 -1.046 . . . . 0.0 109.163 179.576 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 5.3 t -65.57 113.35 11.39 Favored Pre-proline 0 C--N 1.323 -0.583 0 O-C-N 124.836 1.335 . . . . 0.0 109.259 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -83.97 156.75 13.39 Favored 'Trans proline' 0 C--N 1.358 1.057 0 O-C-N 124.384 1.728 . . . . 0.0 110.906 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 6.4 p-80 -148.25 162.48 39.4 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.301 1.0 . . . . 0.0 109.732 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.4 t . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.422 -179.975 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 110.013 -0.366 . . . . 0.0 110.013 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -129.73 92.22 38.1 Favored Pre-proline 0 C--N 1.326 -0.431 0 O-C-N 124.438 1.086 . . . . 0.0 111.44 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -80.1 2.23 8.61 Favored 'Trans proline' 0 C--N 1.367 1.53 0 O-C-N 123.75 1.395 . . . . 0.0 112.618 179.699 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -74.7 -26.82 60.09 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.059 0.849 . . . . 0.0 111.032 -179.588 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.6 p -92.03 41.86 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.919 -179.637 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.7 t -102.47 131.36 50.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.397 1.061 . . . . 0.0 109.096 179.774 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 105.89 -23.89 28.19 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.51 1.131 . . . . 0.0 111.469 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 66.1 mttt -76.19 161.06 29.11 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 108.691 -0.855 . . . . 0.0 108.691 -179.668 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 71.5 p -88.23 167.34 13.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.073 0.858 . . . . 0.0 110.554 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 17.0 t -48.42 -58.81 0.98 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.477 0 O-C-N 124.429 1.08 . . . . 0.0 111.772 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -53.02 -36.49 60.57 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.229 -0.896 . . . . 0.0 111.229 -179.054 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 24.9 mm-40 -64.71 -50.66 66.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.376 1.047 . . . . 0.0 110.349 -179.716 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.29 -3.45 17.25 Favored 'General case' 0 N--CA 1.452 -0.333 0 O-C-N 124.634 1.209 . . . . 0.0 112.958 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -82.9 -45.56 14.05 Favored 'General case' 0 C--N 1.321 -0.645 0 O-C-N 124.608 1.193 . . . . 0.0 109.682 179.832 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -71.92 -28.38 63.44 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 114.744 -1.116 . . . . 0.0 110.973 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 10.3 t80 -69.69 -49.01 57.53 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.522 1.139 . . . . 0.0 111.033 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 15.5 m-85 -73.93 -19.39 60.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.435 1.084 . . . . 0.0 111.401 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.3 m -75.67 -36.03 60.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.291 0.994 . . . . 0.0 111.342 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 10.8 mt -84.29 -45.76 12.49 Favored 'General case' 0 N--CA 1.448 -0.53 0 N-CA-C 113.504 0.927 . . . . 0.0 113.504 -178.423 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 -87.27 -41.56 13.59 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 113.614 0.968 . . . . 0.0 113.614 -177.778 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.4 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 8.8 m-30 -118.18 51.79 1.38 Allowed Pre-proline 0 C--N 1.324 -0.525 0 N-CA-C 115.12 1.526 . . . . 0.0 115.12 -178.279 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.4 ' CD ' ' N ' ' A' ' 29' ' ' TYR . 19.5 Cg_endo -66.35 -12.7 36.74 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 123.939 1.494 . . . . 0.0 112.803 -179.332 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -90.96 14.97 12.38 Favored 'General case' 0 N--CA 1.452 -0.36 0 O-C-N 124.197 0.936 . . . . 0.0 112.445 -178.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . 0.266 0.3 OUTLIER -128.75 138.77 52.29 Favored 'General case' 0 C--N 1.322 -0.61 0 O-C-N 124.199 0.937 . . . . 0.0 109.55 -179.49 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -89.56 111.22 22.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.599 1.187 . . . . 0.0 108.256 178.624 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 3.7 t -85.58 152.05 3.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.633 1.208 . . . . 0.0 110.095 -179.027 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.538 ' CE2' ' CD ' ' A' ' 51' ' ' ARG . 30.0 m-85 -147.97 108.93 4.23 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.025 -0.989 . . . . 0.0 110.804 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 31.6 m-85 -93.01 132.53 37.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.404 1.065 . . . . 0.0 111.383 -179.744 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -145.02 168.57 11.76 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.272 0.983 . . . . 0.0 108.884 179.677 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo . . . . . 0 C--N 1.36 1.151 0 O-C-N 124.583 1.833 . . . . 0.0 110.946 179.614 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 16.4 m-30 . . . . . 0 CA--C 1.534 0.365 0 N-CA-C 110.506 -0.183 . . . . 0.0 110.506 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 -101.2 -3.52 28.92 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.65 1.219 . . . . 0.0 113.423 -178.174 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.538 ' CD ' ' CE2' ' A' ' 35' ' ' TYR . 1.8 ttp180 -115.79 132.14 56.73 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.238 0.961 . . . . 0.0 111.132 -178.733 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.694 ' CG2' ' CG2' ' A' ' 69' ' ' VAL . 48.3 t -105.0 117.32 50.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.624 1.203 . . . . 0.0 108.493 179.231 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.41 129.14 46.34 Favored 'General case' 0 N--CA 1.449 -0.494 0 O-C-N 124.412 1.07 . . . . 0.0 109.953 179.715 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 2.9 t -123.52 149.89 27.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.438 1.086 . . . . 0.0 109.12 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 11.3 m-85 -119.64 135.35 54.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.539 1.15 . . . . 0.0 110.566 179.478 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 16.2 p90 -136.26 164.42 28.12 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.501 1.126 . . . . 0.0 111.389 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -90.56 119.33 69.09 Favored Pre-proline 0 C--N 1.324 -0.517 0 CA-C-N 114.446 -1.252 . . . . 0.0 108.244 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -80.06 19.15 1.07 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.066 1.561 . . . . 0.0 114.637 -178.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -101.59 -55.29 0.9 Allowed Glycine 0 CA--C 1.53 1.012 0 N-CA-C 110.746 -0.942 . . . . 0.0 110.746 179.685 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 15.2 t -114.59 5.88 15.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 0.751 . . . . 0.0 112.362 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 73.7 m-80 60.27 62.62 1.55 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 123.881 0.738 . . . . 0.0 110.088 179.7 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 66.9 t -142.52 138.39 28.88 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.4 0 O-C-N 124.447 1.092 . . . . 0.0 110.094 179.629 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 60.1 t -78.89 137.74 21.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.363 1.04 . . . . 0.0 109.945 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -145.98 29.57 1.09 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.522 1.139 . . . . 0.0 109.45 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 63.6 m-70 -147.68 130.5 16.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.738 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 41.5 t -66.27 114.93 19.08 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.382 1.051 . . . . 0.0 109.571 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -79.06 153.92 25.26 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.466 1.772 . . . . 0.0 111.214 179.572 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 11.2 p80 -143.97 160.74 40.3 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.421 1.076 . . . . 0.0 109.726 179.558 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.694 ' CG2' ' CG2' ' A' ' 52' ' ' VAL . 92.8 t . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.575 1.172 . . . . 0.0 108.862 179.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.1 m . . . . . 0 N--CA 1.454 -0.253 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -125.03 91.84 48.62 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.606 1.191 . . . . 0.0 110.695 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -75.38 -4.72 15.71 Favored 'Trans proline' 0 C--N 1.367 1.525 0 O-C-N 123.815 1.429 . . . . 0.0 112.893 -179.409 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -76.93 -19.16 57.71 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.159 0.912 . . . . 0.0 111.562 -179.625 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 2.9 t -93.73 39.27 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 O-C-N 124.253 0.97 . . . . 0.0 109.527 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 55.6 t -104.99 137.26 35.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.11 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 110.08 -26.57 13.47 Favored Glycine 0 CA--C 1.532 1.097 0 O-C-N 124.546 1.154 . . . . 0.0 110.586 -179.718 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 19.1 mttt -76.78 162.55 27.57 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.596 0.821 . . . . 0.0 108.815 -179.728 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 70.5 p -98.33 168.83 9.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.158 0.911 . . . . 0.0 110.201 179.754 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 73.0 t -49.57 -53.47 9.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.115 . . . . 0.0 111.316 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.11 -36.85 75.89 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.313 1.008 . . . . 0.0 110.563 -179.417 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.67 -54.14 40.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.555 1.16 . . . . 0.0 109.575 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -74.02 0.49 13.48 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.44 1.087 . . . . 0.0 112.81 179.683 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 18.4 tpp85 -81.46 -46.25 14.83 Favored 'General case' 0 C--N 1.322 -0.593 0 O-C-N 124.348 1.03 . . . . 0.0 109.289 179.594 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -72.44 -30.62 64.75 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 114.582 -1.19 . . . . 0.0 109.858 179.508 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 36.0 t80 -65.29 -56.02 15.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.588 1.18 . . . . 0.0 110.85 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -66.87 -21.87 65.99 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.639 1.212 . . . . 0.0 110.972 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.4 m -76.53 -36.21 57.83 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.311 1.007 . . . . 0.0 111.65 -179.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.4 mt -82.37 -45.33 15.01 Favored 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 113.964 1.098 . . . . 0.0 113.964 -178.363 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 21.6 m170 -83.02 -42.15 17.84 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.059 0.849 . . . . 0.0 112.96 -178.544 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 45.8 m-85 -121.71 72.67 31.45 Favored Pre-proline 0 C--O 1.24 0.56 0 N-CA-C 115.031 1.493 . . . . 0.0 115.031 -178.531 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_endo -76.62 5.68 4.62 Favored 'Trans proline' 0 C--N 1.358 1.07 0 O-C-N 123.601 1.316 . . . . 0.0 113.445 179.708 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -121.4 21.21 11.1 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.361 1.038 . . . . 0.0 110.512 179.24 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . 0.254 1.1 m-30 -122.98 126.14 46.6 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 114.979 -1.01 . . . . 0.0 109.665 179.542 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -89.81 98.16 11.61 Favored 'General case' 0 C--N 1.322 -0.591 0 O-C-N 124.469 1.106 . . . . 0.0 108.683 178.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.5 t -85.87 151.29 3.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.551 1.157 . . . . 0.0 109.201 -179.713 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -137.34 122.74 19.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 110.973 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 42.3 m-85 -101.54 116.91 33.82 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.229 0.956 . . . . 0.0 110.689 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.497 ' CB ' ' CD ' ' A' ' 38' ' ' PRO . 0.2 OUTLIER -142.22 -178.93 0.87 Allowed Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.255 0.972 . . . . 0.0 108.841 -179.901 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.497 ' CD ' ' CB ' ' A' ' 37' ' ' LEU . 9.9 Cg_endo . . . . . 0 C--N 1.359 1.11 0 O-C-N 124.311 1.69 . . . . 0.0 110.476 179.401 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 13.7 m-30 . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 112.595 0.591 . . . . 0.0 112.595 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 10.8 p-10 -89.35 -10.1 47.94 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.471 1.107 . . . . 0.0 111.866 179.611 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -98.94 119.94 38.55 Favored 'General case' 0 C--N 1.323 -0.575 0 O-C-N 123.934 0.771 . . . . 0.0 109.873 -179.372 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 1.9 t -109.44 148.77 12.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.258 0.974 . . . . 0.0 110.051 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 1.3 mtt85 -120.19 135.26 55.04 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 114.77 -1.105 . . . . 0.0 109.711 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 17.3 t -129.32 136.99 58.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.611 1.194 . . . . 0.0 109.255 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 44.4 m-85 -105.71 144.23 32.74 Favored 'General case' 0 C--N 1.328 -0.337 0 O-C-N 124.445 1.091 . . . . 0.0 111.22 179.733 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 15.7 p90 -148.73 169.26 20.83 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 114.939 -1.028 . . . . 0.0 110.469 -179.593 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -78.75 133.75 61.91 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.316 1.01 . . . . 0.0 109.701 -179.665 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -85.24 38.02 0.63 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.239 1.652 . . . . 0.0 113.198 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -146.66 -67.28 0.01 OUTLIER Glycine 0 CA--C 1.531 1.045 0 N-CA-C 110.752 -0.939 . . . . 0.0 110.752 179.767 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 7.4 t -83.43 -19.93 35.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 0.757 . . . . 0.0 110.96 179.752 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 8.7 m-20 69.38 68.41 0.26 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.342 1.026 . . . . 0.0 109.33 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 49.9 t -143.69 139.88 25.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.201 179.724 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 45.4 t -80.87 125.89 39.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 108.893 179.517 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.482 ' ND2' ' CD2' ' A' ' 65' ' ' HIS . 0.5 OUTLIER -134.44 24.73 3.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.678 1.236 . . . . 0.0 109.715 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . 0.482 ' CD2' ' ND2' ' A' ' 64' ' ' ASN . 64.2 m-70 -143.28 144.97 32.33 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.315 1.009 . . . . 0.0 109.376 179.776 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 59.5 t -70.92 115.88 40.64 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.606 1.191 . . . . 0.0 109.089 179.765 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 27.7 Cg_endo -74.63 148.32 36.9 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.544 1.813 . . . . 0.0 110.665 -179.643 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -148.5 163.22 37.85 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.481 1.113 . . . . 0.0 109.753 -179.796 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 97.6 t . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 109.384 179.787 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.5 t . . . . . 0 N--CA 1.455 -0.188 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -127.71 99.43 26.42 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.143 . . . . 0.0 111.067 -179.653 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_endo -77.2 -0.96 11.12 Favored 'Trans proline' 0 C--N 1.363 1.311 0 O-C-N 124.067 1.562 . . . . 0.0 112.498 179.624 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -77.15 -30.59 55.08 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 123.857 0.723 . . . . 0.0 111.866 -179.17 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 12.1 p -91.85 55.77 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.199 0.937 . . . . 0.0 110.273 -179.371 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 26.9 t -122.7 115.68 46.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.321 1.013 . . . . 0.0 109.142 179.71 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 118.92 -20.14 10.01 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.464 1.103 . . . . 0.0 111.603 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.3 ptpt -79.66 162.03 25.49 Favored 'General case' 0 C--N 1.327 -0.376 0 O-C-N 124.626 0.839 . . . . 0.0 108.762 -179.136 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 25.4 p -88.27 166.46 14.3 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.127 0.892 . . . . 0.0 111.477 -179.397 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 15.5 t -49.26 -58.26 1.4 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 111.325 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -52.04 -37.51 53.83 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.174 -0.921 . . . . 0.0 110.592 -179.25 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 7.1 mm-40 -63.75 -52.32 60.9 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.127 . . . . 0.0 110.034 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.04 -0.27 13.41 Favored 'General case' 0 N--CA 1.451 -0.395 0 O-C-N 124.565 1.165 . . . . 0.0 113.156 -179.707 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 7.1 tpp85 -84.43 -46.43 11.69 Favored 'General case' 0 C--N 1.322 -0.625 0 O-C-N 124.559 1.162 . . . . 0.0 109.865 -179.68 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -75.29 -24.72 57.56 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 114.747 -1.115 . . . . 0.0 110.808 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 57.4 t80 -71.55 -48.68 46.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 112.151 -179.622 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -71.15 -22.88 62.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.449 1.093 . . . . 0.0 112.287 -179.437 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 24.4 m -76.37 -32.25 58.51 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.297 0.998 . . . . 0.0 111.915 -179.367 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 15.5 mt -88.15 -46.0 9.64 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 113.712 1.004 . . . . 0.0 113.712 -178.318 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 14.8 m170 -84.98 -38.94 18.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.088 0.867 . . . . 0.0 113.085 -178.417 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 47.1 m-85 -123.58 57.69 12.38 Favored Pre-proline 0 C--N 1.323 -0.562 0 N-CA-C 114.288 1.218 . . . . 0.0 114.288 -178.295 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_endo -68.57 -8.82 24.27 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 123.876 1.461 . . . . 0.0 113.5 -179.006 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -98.05 17.17 19.01 Favored 'General case' 0 C--N 1.327 -0.381 0 O-C-N 124.205 0.941 . . . . 0.0 111.748 -179.794 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . 0.267 3.2 m-85 -128.07 129.95 47.45 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.202 -0.908 . . . . 0.0 109.992 -179.451 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 83.6 m-20 -89.85 98.27 11.67 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.387 1.055 . . . . 0.0 108.491 178.763 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 6.0 t -85.3 148.84 4.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.132 . . . . 0.0 110.821 -179.481 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 3.8 m-30 -132.51 141.89 48.97 Favored 'General case' 0 CA--C 1.543 0.686 0 O-C-N 124.426 1.079 . . . . 0.0 109.825 179.119 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 32.4 m-85 -120.49 126.81 51.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.816 1.322 . . . . 0.0 110.892 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 12.2 mt -145.22 160.95 44.05 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.218 0.949 . . . . 0.0 109.024 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 5.9 Cg_endo . . . . . 0 C--N 1.36 1.168 0 O-C-N 124.442 1.759 . . . . 0.0 110.574 179.889 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 18.0 m-30 . . . . . 0 CA--C 1.536 0.429 0 N-CA-C 112.749 0.648 . . . . 0.0 112.749 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -92.44 -7.75 46.68 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.704 1.252 . . . . 0.0 112.206 -179.468 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 8.0 ttm180 -98.61 125.45 43.87 Favored 'General case' 0 C--N 1.323 -0.56 0 O-C-N 124.089 0.868 . . . . 0.0 110.526 -179.064 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.697 ' CG2' ' CG2' ' A' ' 69' ' ' VAL . 53.9 t -111.9 123.48 67.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.421 1.076 . . . . 0.0 109.088 179.194 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 66.8 mtt85 -88.95 136.7 32.87 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.025 -0.989 . . . . 0.0 111.103 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 62.3 t -131.54 151.95 36.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.276 0.985 . . . . 0.0 109.248 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 24.3 m-85 -131.56 142.08 49.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 111.131 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.44 ' C ' ' CD1' ' A' ' 56' ' ' TYR . 5.4 p90 -140.05 165.43 27.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.604 1.19 . . . . 0.0 110.467 179.661 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 -102.16 133.65 20.51 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 0.0 109.801 -179.544 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_endo -78.87 -17.97 11.9 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.42 1.748 . . . . 0.0 111.719 179.667 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -50.12 -54.08 20.57 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.349 1.031 . . . . 0.0 111.831 -179.679 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 14.9 t -132.62 13.77 4.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 0.76 . . . . 0.0 111.903 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 5.9 m120 58.09 61.18 2.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.039 0.837 . . . . 0.0 109.654 179.738 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 38.8 t -140.72 142.47 30.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 O-C-N 124.529 1.143 . . . . 0.0 110.333 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 47.8 t -81.46 137.24 21.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 114.957 -1.02 . . . . 0.0 109.557 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 37.4 p30 -147.97 34.33 0.83 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.538 1.149 . . . . 0.0 109.878 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 89.7 m-70 -147.89 124.61 11.16 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.481 1.113 . . . . 0.0 109.59 179.735 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 14.9 t -58.05 111.28 3.32 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.45 1.094 . . . . 0.0 109.968 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_endo -82.95 104.84 1.3 Allowed 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.475 1.776 . . . . 0.0 110.797 179.531 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -107.41 163.25 13.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.328 1.017 . . . . 0.0 109.756 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.697 ' CG2' ' CG2' ' A' ' 52' ' ' VAL . 69.2 t . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 108.89 179.568 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.1 m . . . . . 0 N--CA 1.454 -0.24 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.4 ' CD1' ' N ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -127.27 98.7 29.11 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 111.047 -179.754 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 24.8 Cg_endo -75.33 -4.37 15.22 Favored 'Trans proline' 0 C--N 1.363 1.336 0 O-C-N 124.055 1.555 . . . . 0.0 112.676 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -72.97 -17.91 61.42 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.061 0.85 . . . . 0.0 111.302 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 5.5 t -93.83 32.4 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.218 0.949 . . . . 0.0 110.01 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 9.0 t -94.78 108.85 21.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.385 1.053 . . . . 0.0 109.103 179.78 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 118.52 -19.54 10.57 Favored Glycine 0 CA--C 1.531 1.085 0 O-C-N 124.573 1.171 . . . . 0.0 111.287 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.4 mtpt -73.78 162.61 28.95 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.571 0.807 . . . . 0.0 108.824 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -104.55 165.5 11.02 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.183 0.927 . . . . 0.0 109.856 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.1 t -48.62 -49.94 13.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.028 0.83 . . . . 0.0 111.944 -179.684 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -54.06 -42.04 68.81 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.234 0.959 . . . . 0.0 111.309 -178.761 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 5.9 mm100 -62.4 -54.17 44.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.385 1.053 . . . . 0.0 110.402 -179.666 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.76 -0.34 13.02 Favored 'General case' 0 C--N 1.328 -0.368 0 O-C-N 124.605 1.191 . . . . 0.0 113.186 -179.412 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 14.2 tpp85 -83.32 -45.99 13.12 Favored 'General case' 0 C--N 1.322 -0.62 0 O-C-N 124.465 1.103 . . . . 0.0 109.669 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -77.34 -22.98 51.0 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 114.726 -1.125 . . . . 0.0 110.829 -179.617 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 40.8 t80 -71.53 -50.04 35.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.389 1.056 . . . . 0.0 111.957 -179.478 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 22.0 m-30 -72.38 -25.61 61.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.372 1.045 . . . . 0.0 111.793 -179.633 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 17.1 m -74.17 -32.37 63.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.321 1.013 . . . . 0.0 111.153 -179.752 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 19.1 mt -92.06 -46.1 7.96 Favored 'General case' 0 N--CA 1.45 -0.446 0 N-CA-C 113.971 1.1 . . . . 0.0 113.971 -178.227 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 18.5 m170 -85.53 -36.52 20.43 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 113.49 0.922 . . . . 0.0 113.49 -178.129 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -123.83 62.66 26.96 Favored Pre-proline 0 C--O 1.241 0.631 0 N-CA-C 115.074 1.509 . . . . 0.0 115.074 -178.153 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 13.0 Cg_endo -70.8 -2.07 10.33 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 123.618 1.325 . . . . 0.0 113.297 -179.543 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -107.09 18.24 21.98 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.338 1.024 . . . . 0.0 111.358 179.84 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . 0.275 3.1 m-85 -129.53 122.26 28.85 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.108 -0.951 . . . . 0.0 110.079 -179.157 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -87.57 97.96 11.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.318 1.011 . . . . 0.0 108.572 178.366 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 3.4 t -84.86 151.55 3.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.905 -179.573 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.479 ' CG ' ' NH1' ' A' ' 53' ' ' ARG . 45.6 m-85 -139.78 131.78 27.83 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.362 1.039 . . . . 0.0 110.801 179.663 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 50.2 m-85 -103.39 134.08 47.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.316 1.01 . . . . 0.0 111.009 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -146.25 162.03 36.56 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.333 1.021 . . . . 0.0 109.12 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.359 1.104 0 O-C-N 124.517 1.798 . . . . 0.0 110.638 179.355 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 15.7 m-30 . . . . . 0 CA--C 1.537 0.471 0 N-CA-C 111.707 0.262 . . . . 0.0 111.707 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -93.5 -11.75 31.26 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.842 1.339 . . . . 0.0 112.621 -178.673 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 2.4 ttp180 -91.44 109.67 20.96 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.008 0.818 . . . . 0.0 111.328 -179.387 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.563 ' CG2' ' CG2' ' A' ' 69' ' ' VAL . 84.1 t -107.53 121.56 60.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 O-C-N 124.301 1.001 . . . . 0.0 109.511 179.642 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.479 ' NH1' ' CG ' ' A' ' 35' ' ' TYR . 9.6 mmm180 -88.47 142.87 27.36 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.035 -0.984 . . . . 0.0 111.409 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 61.7 t -130.96 154.54 40.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.326 1.016 . . . . 0.0 108.945 179.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 14.5 m-85 -127.46 137.26 52.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.591 1.182 . . . . 0.0 111.594 -179.775 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 12.1 p90 -146.5 168.45 21.17 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.367 1.042 . . . . 0.0 110.694 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -98.72 131.25 26.1 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.496 1.122 . . . . 0.0 109.881 -179.686 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 27.7 Cg_endo -79.0 7.42 4.36 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.42 1.747 . . . . 0.0 112.553 179.688 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -88.88 -74.63 1.29 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.184 0.927 . . . . 0.0 110.786 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 15.4 t -97.03 2.8 51.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 0.743 . . . . 0.0 112.402 179.761 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 10.7 m-80 60.69 61.32 1.72 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 123.934 0.771 . . . . 0.0 110.029 179.636 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 69.3 t -142.04 151.26 18.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 O-C-N 124.417 1.073 . . . . 0.0 109.309 179.693 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 99.0 t -83.51 138.18 19.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.364 1.04 . . . . 0.0 109.83 -179.777 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 37.4 p30 -141.74 25.11 2.0 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.538 1.149 . . . . 0.0 109.541 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 71.7 m-70 -148.53 128.74 13.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.436 1.085 . . . . 0.0 109.541 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 38.5 t -60.66 114.52 10.47 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.142 . . . . 0.0 109.388 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -74.85 147.75 35.06 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.51 1.795 . . . . 0.0 110.956 179.512 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -147.96 162.5 39.2 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.433 1.083 . . . . 0.0 110.065 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.563 ' CG2' ' CG2' ' A' ' 52' ' ' VAL . 55.3 t . . . . . 0 C--N 1.325 -0.457 0 CA-C-N 114.907 -1.042 . . . . 0.0 109.302 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 54.4 p . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -124.22 99.55 37.06 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.534 1.146 . . . . 0.0 110.763 179.754 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -73.46 -7.05 19.79 Favored 'Trans proline' 0 C--N 1.364 1.351 0 O-C-N 124.199 1.631 . . . . 0.0 112.776 -179.578 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 65.9 tt0 -72.76 -19.95 61.27 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.177 0.923 . . . . 0.0 111.113 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 3.4 t -94.15 36.9 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.298 0.999 . . . . 0.0 109.675 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 7.0 t -102.6 111.69 33.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.189 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 116.25 -15.3 15.56 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.456 1.097 . . . . 0.0 112.007 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 11.6 mptt -71.76 161.04 31.58 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 179.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 82.6 p -97.45 165.19 12.12 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.536 1.147 . . . . 0.0 109.553 178.265 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 13.4 t -50.48 -47.35 27.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.258 0.974 . . . . 0.0 110.414 179.786 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -64.87 -37.24 86.97 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 114.947 -1.024 . . . . 0.0 111.339 -179.542 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.2 -53.85 49.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.66 -179.809 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -74.38 -1.43 20.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.531 1.144 . . . . 0.0 113.242 -179.467 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -80.47 -45.72 17.08 Favored 'General case' 0 C--N 1.322 -0.614 0 O-C-N 124.464 1.102 . . . . 0.0 109.746 179.706 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -75.37 -30.14 60.1 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 114.627 -1.169 . . . . 0.0 111.127 -179.463 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 62.0 t80 -68.67 -48.61 63.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.364 1.04 . . . . 0.0 111.783 -179.649 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -71.86 -27.46 62.89 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.59 1.181 . . . . 0.0 112.674 -179.286 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 23.6 m -78.58 -32.79 47.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.237 0.96 . . . . 0.0 112.599 -179.276 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 12.6 mt -84.58 -47.69 10.29 Favored 'General case' 0 N--CA 1.45 -0.444 0 N-CA-C 113.817 1.043 . . . . 0.0 113.817 -178.237 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 32.7 m-70 -87.85 -33.75 18.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.069 0.856 . . . . 0.0 113.139 -177.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 50.6 m-85 -124.69 56.61 12.99 Favored Pre-proline 0 C--N 1.324 -0.528 0 N-CA-C 114.052 1.13 . . . . 0.0 114.052 -178.386 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -69.11 -6.41 18.21 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.025 1.54 . . . . 0.0 112.914 -179.375 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -98.43 15.38 24.98 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.154 0.909 . . . . 0.0 111.912 -179.834 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . 0.257 1.1 m-30 -123.48 131.97 53.79 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.277 -0.874 . . . . 0.0 109.51 179.399 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -89.66 97.57 11.27 Favored 'General case' 0 C--N 1.323 -0.571 0 O-C-N 124.568 1.168 . . . . 0.0 108.61 178.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.6 t -87.81 151.0 3.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 -179.324 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 17.2 m-85 -137.33 107.86 6.54 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.272 0.982 . . . . 0.0 110.877 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 38.4 m-85 -91.37 110.01 21.31 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.293 0.995 . . . . 0.0 110.84 179.7 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.494 ' CB ' ' CD ' ' A' ' 38' ' ' PRO . 0.2 OUTLIER -144.81 179.42 1.17 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.248 0.968 . . . . 0.0 108.974 -179.935 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.494 ' CD ' ' CB ' ' A' ' 37' ' ' LEU . 1.8 Cg_endo . . . . . 0 C--N 1.358 1.077 0 O-C-N 124.522 1.801 . . . . 0.0 110.49 179.524 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 33.9 m-85 . . . . . 0 CA--C 1.536 0.408 0 CA-C-O 120.453 0.168 . . . . 0.0 111.07 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -88.73 -12.46 42.18 Favored 'General case' 0 C--N 1.323 -0.56 0 O-C-N 124.603 1.189 . . . . 0.0 111.833 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 7.1 ttp180 -104.24 117.15 33.54 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 123.981 0.801 . . . . 0.0 109.417 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -97.81 140.89 16.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 O-C-N 124.458 1.099 . . . . 0.0 110.04 -179.579 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.21 92.29 3.79 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 124.524 1.14 . . . . 0.0 109.338 179.441 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 86.5 t -86.9 148.73 4.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.731 1.27 . . . . 0.0 109.974 -179.61 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 22.0 m-30 -118.72 144.54 46.17 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.521 1.138 . . . . 0.0 110.89 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.411 ' CD1' ' C ' ' A' ' 56' ' ' TYR . 8.8 p90 -145.31 163.21 35.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.66 1.225 . . . . 0.0 110.304 179.554 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -101.6 108.3 55.08 Favored Pre-proline 0 C--N 1.324 -0.542 0 O-C-N 124.624 1.202 . . . . 0.0 108.558 -179.527 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -60.05 -11.97 17.46 Favored 'Trans proline' 0 C--N 1.362 1.264 0 O-C-N 124.387 1.73 . . . . 0.0 113.058 -178.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -58.34 -67.36 2.24 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.314 1.009 . . . . 0.0 110.898 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 13.3 t -112.22 19.56 17.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.553 0.796 . . . . 0.0 111.035 179.684 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 62.9 m-20 50.82 44.26 28.07 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.522 -0.763 . . . . 0.0 111.458 179.048 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 64.2 t -125.37 146.64 30.74 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.37 0 O-C-N 124.302 1.001 . . . . 0.0 109.835 179.434 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 95.3 t -86.11 128.51 39.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.596 1.185 . . . . 0.0 109.841 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -134.33 28.43 3.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.854 1.346 . . . . 0.0 109.256 179.548 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 54.4 m80 -139.0 124.2 19.09 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 114.777 -1.101 . . . . 0.0 109.25 179.494 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 24.9 t -63.14 113.83 10.67 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.804 1.315 . . . . 0.0 108.845 179.606 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 27.3 Cg_endo -75.8 146.47 29.92 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.561 1.822 . . . . 0.0 110.781 -179.445 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -142.71 163.25 33.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 110.109 -179.673 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 1.7 t . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.405 1.066 . . . . 0.0 109.335 179.992 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 9.3 m . . . . . 0 N--CA 1.452 -0.346 0 N-CA-C 109.991 -0.374 . . . . 0.0 109.991 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -125.97 101.19 29.49 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 110.815 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 26.4 Cg_endo -74.44 -5.3 16.72 Favored 'Trans proline' 0 C--N 1.362 1.283 0 O-C-N 124.237 1.651 . . . . 0.0 112.877 -179.662 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -78.33 6.07 9.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.017 0.823 . . . . 0.0 112.368 -179.387 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 26.6 t -93.14 -21.67 6.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 123.902 0.751 . . . . 0.0 110.279 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 14.0 t -68.67 113.42 4.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.374 1.046 . . . . 0.0 109.467 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 124.71 -35.21 3.23 Favored Glycine 0 CA--C 1.529 0.915 0 O-C-N 124.402 1.064 . . . . 0.0 111.055 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 15.6 mtmt -74.9 -173.5 1.92 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.398 0.705 . . . . 0.0 109.13 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 68.7 p -115.65 165.11 13.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.433 1.083 . . . . 0.0 109.932 179.694 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.6 t -50.3 -50.15 21.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 O-C-N 124.263 0.977 . . . . 0.0 111.161 179.63 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -55.07 -37.75 67.16 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.197 -0.91 . . . . 0.0 113.17 -178.262 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 4.5 mm-40 -62.01 -54.64 38.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.324 1.015 . . . . 0.0 109.736 -179.778 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.69 -3.58 15.87 Favored 'General case' 0 C--N 1.327 -0.399 0 O-C-N 124.802 1.314 . . . . 0.0 113.485 -179.125 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 5.5 tpp85 -80.9 -45.69 16.39 Favored 'General case' 0 C--N 1.32 -0.7 0 O-C-N 124.793 1.308 . . . . 0.0 109.272 179.474 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -75.97 -34.23 59.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 114.516 -1.22 . . . . 0.0 110.135 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 59.4 t80 -55.65 -53.77 52.46 Favored 'General case' 0 C--N 1.327 -0.397 0 O-C-N 124.415 1.072 . . . . 0.0 111.153 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -66.75 -28.22 68.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.621 1.201 . . . . 0.0 111.446 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 20.9 m -71.05 -30.83 67.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.21 0.944 . . . . 0.0 110.553 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 15.9 mt -87.57 -45.91 10.02 Favored 'General case' 0 N--CA 1.449 -0.493 0 N-CA-C 114.058 1.133 . . . . 0.0 114.058 -178.292 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -86.02 -49.46 7.8 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 113.402 0.89 . . . . 0.0 113.402 -178.012 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 10.0 m-85 -119.61 75.22 18.36 Favored Pre-proline 0 C--N 1.324 -0.517 0 N-CA-C 115.031 1.493 . . . . 0.0 115.031 -178.429 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -79.36 8.55 3.83 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 123.91 1.479 . . . . 0.0 112.994 179.536 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 6.0 pm0 -118.92 23.16 11.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.198 0.936 . . . . 0.0 110.176 179.691 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 1.2 m-30 -121.56 131.23 54.01 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 114.858 -1.065 . . . . 0.0 109.879 179.723 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 36.4 t0 -88.05 98.08 11.33 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.461 1.101 . . . . 0.0 108.389 178.444 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.9 t -85.31 149.27 4.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.564 1.165 . . . . 0.0 110.329 -179.319 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -139.66 104.96 5.04 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 114.889 -1.051 . . . . 0.0 110.508 179.498 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 22.7 m-85 -91.23 126.15 36.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 110.873 179.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.1 mt -139.2 161.42 57.65 Favored Pre-proline 0 C--N 1.324 -0.54 0 O-C-N 124.364 1.04 . . . . 0.0 108.663 179.717 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 41.8 Cg_endo . . . . . 0 C--N 1.356 0.956 0 O-C-N 124.636 1.861 . . . . 0.0 112.039 -178.932 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 37.9 m-85 . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 112.359 0.503 . . . . 0.0 112.359 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.7 p-10 -91.49 -7.59 50.04 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.328 1.017 . . . . 0.0 111.879 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 6.9 ttp180 -101.71 127.94 48.25 Favored 'General case' 0 C--N 1.322 -0.623 0 O-C-N 123.993 0.808 . . . . 0.0 109.845 -179.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 92.6 t -115.87 142.3 29.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.343 1.027 . . . . 0.0 110.255 -179.784 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 11.4 mtp180 -122.9 124.12 42.52 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 114.853 -1.067 . . . . 0.0 109.283 179.714 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 2.4 t -116.21 153.23 17.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.421 1.076 . . . . 0.0 110.784 -179.261 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -121.48 136.24 54.97 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 114.815 -1.084 . . . . 0.0 110.312 179.436 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.436 ' C ' ' CD1' ' A' ' 56' ' ' TYR . 3.6 p90 -136.02 168.61 19.04 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.465 1.103 . . . . 0.0 110.445 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -91.8 118.35 68.23 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.208 0.942 . . . . 0.0 111.026 -178.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_endo -77.71 85.21 1.84 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.297 1.682 . . . . 0.0 110.937 179.225 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -166.84 -57.91 0.03 OUTLIER Glycine 0 CA--C 1.532 1.105 0 O-C-N 124.419 1.074 . . . . 0.0 110.75 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 15.4 t -130.59 6.97 4.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 0.787 . . . . 0.0 112.2 179.683 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 5.7 m120 70.26 72.88 0.22 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 123.844 0.715 . . . . 0.0 109.528 179.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 9.9 t -144.19 126.74 11.18 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.321 0 O-C-N 124.629 1.206 . . . . 0.0 110.546 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 65.7 t -72.96 140.24 18.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.089 -0.96 . . . . 0.0 109.323 179.46 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -148.05 28.35 0.93 Allowed 'General case' 0 C--N 1.327 -0.385 0 O-C-N 124.436 1.085 . . . . 0.0 109.875 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 84.5 m-70 -149.51 125.79 10.79 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.42 1.075 . . . . 0.0 109.696 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 45.6 t -54.68 110.41 2.14 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 109.305 179.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 22.5 Cg_endo -78.95 118.52 4.1 Favored 'Trans proline' 0 C--N 1.359 1.092 0 O-C-N 124.404 1.739 . . . . 0.0 110.917 179.584 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 5.2 p-80 -128.03 162.73 26.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.103 . . . . 0.0 109.547 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 20.4 t . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 0.0 109.601 -179.837 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.8 m . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.913 -0.403 . . . . 0.0 109.913 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -122.49 96.23 46.06 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.139 . . . . 0.0 110.914 -179.825 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_endo -73.15 -7.09 20.05 Favored 'Trans proline' 0 C--N 1.365 1.441 0 O-C-N 124.017 1.536 . . . . 0.0 112.75 -179.182 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -73.5 -22.24 60.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.196 0.935 . . . . 0.0 110.56 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -99.48 29.62 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.333 1.021 . . . . 0.0 109.945 -179.739 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 15.5 t -101.46 108.72 24.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.436 1.085 . . . . 0.0 109.146 179.72 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 122.72 -21.14 7.61 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.561 1.163 . . . . 0.0 110.907 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 37.2 mttm -76.06 160.95 29.29 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.691 0.877 . . . . 0.0 108.64 -179.702 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 81.4 p -89.93 166.36 13.53 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.092 0.87 . . . . 0.0 111.037 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.5 t -47.49 -60.48 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.641 1.213 . . . . 0.0 111.659 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -51.78 -36.98 49.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.112 0.882 . . . . 0.0 111.286 -179.131 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 11.8 mm-40 -64.85 -50.01 68.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.266 0.979 . . . . 0.0 110.537 -179.564 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.2 -3.5 17.22 Favored 'General case' 0 N--CA 1.452 -0.346 0 O-C-N 124.591 1.182 . . . . 0.0 113.0 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.6 tpm_? -83.19 -46.6 12.52 Favored 'General case' 0 C--N 1.321 -0.641 0 O-C-N 124.618 1.198 . . . . 0.0 109.74 179.761 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -68.79 -27.8 66.2 Favored 'General case' 0 N--CA 1.452 -0.356 0 O-C-N 124.649 1.218 . . . . 0.0 110.108 179.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 85.3 t80 -73.45 -51.32 17.61 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.557 1.161 . . . . 0.0 111.75 -179.735 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -70.54 -23.23 62.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 111.888 -179.514 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 3.4 m -78.42 -34.85 47.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.441 1.088 . . . . 0.0 112.379 -179.404 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 14.3 mt -83.86 -46.37 12.23 Favored 'General case' 0 N--CA 1.45 -0.435 0 O-C-N 124.102 0.877 . . . . 0.0 113.308 -178.475 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 21.7 m80 -85.12 -36.48 21.08 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.196 0.935 . . . . 0.0 112.912 -178.485 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 45.1 m-85 -125.12 60.63 29.67 Favored Pre-proline 0 C--N 1.323 -0.572 0 N-CA-C 114.878 1.436 . . . . 0.0 114.878 -178.225 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_endo -70.09 -2.42 10.37 Favored 'Trans proline' 0 C--N 1.359 1.099 0 O-C-N 123.768 1.404 . . . . 0.0 112.892 179.562 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -105.16 17.79 23.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.228 0.955 . . . . 0.0 111.581 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . 0.257 3.5 m-85 -124.3 128.81 49.69 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.203 -0.908 . . . . 0.0 110.126 179.837 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -87.23 98.46 11.33 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 177.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 3.9 t -83.47 151.43 3.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.516 1.135 . . . . 0.0 110.39 -179.362 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -136.92 127.41 26.75 Favored 'General case' 0 C--N 1.329 -0.312 0 O-C-N 124.422 1.076 . . . . 0.0 110.875 179.495 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -100.74 130.91 46.84 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.255 0.972 . . . . 0.0 110.62 179.704 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -147.37 153.46 44.23 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.38 1.05 . . . . 0.0 109.3 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo . . . . . 0 C--N 1.359 1.098 0 O-C-N 124.409 1.741 . . . . 0.0 111.241 -179.544 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 68.3 m-85 . . . . . 0 N--CA 1.451 -0.412 0 N-CA-C 112.588 0.588 . . . . 0.0 112.588 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -86.55 -12.76 47.84 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.608 1.192 . . . . 0.0 111.659 179.554 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 9.2 ttp180 -102.22 128.69 48.63 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 123.912 0.757 . . . . 0.0 109.852 -179.427 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 8.5 t -117.03 144.03 25.8 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.41 0 O-C-N 124.395 1.06 . . . . 0.0 109.239 179.342 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -120.65 134.8 55.25 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 114.607 -1.178 . . . . 0.0 109.765 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 14.4 t -125.01 142.1 42.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.694 1.246 . . . . 0.0 109.221 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 22.4 m-30 -116.72 140.89 48.9 Favored 'General case' 0 N--CA 1.451 -0.419 0 O-C-N 124.562 1.164 . . . . 0.0 112.027 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 17.3 p90 -134.1 168.09 19.45 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 114.912 -1.04 . . . . 0.0 110.165 179.426 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 15.4 t-20 -84.22 141.16 39.73 Favored Pre-proline 0 C--N 1.325 -0.461 0 CA-C-N 115.402 -0.817 . . . . 0.0 111.957 -178.388 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 28.9 Cg_endo -78.43 81.35 2.77 Favored 'Trans proline' 0 C--N 1.366 1.491 0 O-C-N 123.885 1.466 . . . . 0.0 113.841 -179.163 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 127.25 55.82 0.13 Allowed Glycine 0 CA--C 1.529 0.957 0 N-CA-C 116.159 1.224 . . . . 0.0 116.159 178.181 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER 168.05 -35.89 0.0 OUTLIER 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 123.745 0.818 . . . . 0.0 109.542 178.447 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 75.67 75.96 0.1 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 125.519 1.762 . . . . 0.0 109.114 -179.776 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 74.2 t -144.19 134.86 21.03 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.39 0 CA-C-N 114.502 -1.226 . . . . 0.0 109.085 179.644 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 69.3 t -82.31 89.02 2.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 O-C-N 124.435 1.084 . . . . 0.0 109.223 179.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 47.0 p30 -97.36 20.92 10.8 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.444 1.09 . . . . 0.0 110.577 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 48.5 m-70 -138.46 123.98 19.56 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.313 1.008 . . . . 0.0 109.467 179.682 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 20.4 t -60.88 113.55 8.03 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.19 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_endo -78.1 149.85 25.73 Favored 'Trans proline' 0 C--N 1.359 1.091 0 O-C-N 124.52 1.8 . . . . 0.0 110.657 179.565 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 3.4 p-80 -145.51 162.64 36.92 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.367 1.042 . . . . 0.0 110.309 -179.723 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 1.4 t . . . . . 0 C--N 1.326 -0.44 0 CA-C-N 114.915 -1.039 . . . . 0.0 109.421 179.945 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.532 0.284 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -136.15 75.09 54.3 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.65 1.218 . . . . 0.0 111.049 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -70.78 -15.48 33.27 Favored 'Trans proline' 0 C--N 1.368 1.574 0 O-C-N 123.509 1.268 . . . . 0.0 113.146 -179.162 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 19.7 tp10 -75.1 -17.38 60.45 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.032 0.832 . . . . 0.0 111.683 -179.637 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 1.3 t -91.23 48.82 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.245 0.966 . . . . 0.0 109.737 -179.579 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 1.6 t -120.26 130.5 74.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.352 1.032 . . . . 0.0 109.289 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 102.29 -20.8 43.64 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.531 1.145 . . . . 0.0 111.198 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.0 mtmt -75.24 -159.2 0.09 Allowed 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.658 -0.867 . . . . 0.0 108.658 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 31.0 p -129.81 168.45 16.55 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.392 1.058 . . . . 0.0 109.878 179.423 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 26.3 t -48.0 -49.31 11.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.431 1.082 . . . . 0.0 112.154 -179.468 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -54.05 -41.09 67.73 Favored 'General case' 0 C--O 1.239 0.533 0 N-CA-C 113.217 0.821 . . . . 0.0 113.217 -178.465 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 19.0 mm-40 -64.28 -50.52 67.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.17 0.919 . . . . 0.0 110.213 -179.401 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.11 -6.29 16.93 Favored 'General case' 0 N--CA 1.452 -0.335 0 O-C-N 124.662 1.226 . . . . 0.0 113.284 -179.59 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 3.2 tpm_? -81.28 -47.42 13.37 Favored 'General case' 0 C--N 1.321 -0.663 0 O-C-N 124.904 1.377 . . . . 0.0 109.335 179.368 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -75.68 -23.13 56.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 114.48 -1.236 . . . . 0.0 110.346 179.676 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 41.0 t80 -68.55 -49.35 60.19 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.344 1.027 . . . . 0.0 111.808 -179.65 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -70.29 -25.22 63.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 111.097 -179.762 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 31.2 m -69.91 -30.26 67.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.35 1.031 . . . . 0.0 110.378 179.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 18.3 mt -85.21 -46.46 11.04 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 114.226 1.195 . . . . 0.0 114.226 -178.222 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 22.5 m-70 -85.94 -52.62 5.61 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.067 0.854 . . . . 0.0 113.108 -178.116 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 49.2 m-85 -119.31 76.1 16.84 Favored Pre-proline 0 C--N 1.323 -0.546 0 N-CA-C 114.022 1.119 . . . . 0.0 114.022 -178.416 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_endo -82.63 12.39 2.91 Favored 'Trans proline' 0 C--N 1.358 1.055 0 O-C-N 123.925 1.487 . . . . 0.0 112.595 179.714 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -123.86 23.48 8.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.316 1.01 . . . . 0.0 110.157 179.781 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 1.2 m-30 -121.87 133.73 54.87 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 114.957 -1.019 . . . . 0.0 110.068 179.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -86.9 94.85 9.7 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 177.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.9 t -84.77 149.49 4.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.537 1.148 . . . . 0.0 111.003 -179.114 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -133.14 162.16 32.48 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 114.864 -1.062 . . . . 0.0 110.47 179.388 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 28.4 m-85 -137.8 117.25 12.86 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.706 1.253 . . . . 0.0 111.088 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.7 mt -133.6 160.52 68.29 Favored Pre-proline 0 C--N 1.323 -0.544 0 O-C-N 124.196 0.935 . . . . 0.0 108.88 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo . . . . . 0 C--N 1.36 1.138 0 O-C-N 124.475 1.776 . . . . 0.0 111.46 -179.406 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 . . . . . 0 CA--C 1.539 0.523 0 N-CA-C 114.559 1.318 . . . . 0.0 114.559 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.9 p-10 -88.71 -12.98 40.76 Favored 'General case' 0 C--N 1.323 -0.575 0 O-C-N 124.783 1.302 . . . . 0.0 112.1 -179.415 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 8.7 ttm180 -97.87 114.4 26.45 Favored 'General case' 0 C--N 1.323 -0.584 0 O-C-N 124.117 0.885 . . . . 0.0 109.751 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.522 ' CG2' ' CG2' ' A' ' 69' ' ' VAL . 48.7 t -107.11 112.33 39.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.376 1.048 . . . . 0.0 110.345 -179.79 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 13.3 mtp180 -88.71 119.12 28.89 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.057 -0.974 . . . . 0.0 110.527 179.589 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 11.3 t -104.53 157.1 5.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.222 0.951 . . . . 0.0 110.126 -179.337 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -126.77 134.1 50.68 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 114.886 -1.052 . . . . 0.0 110.826 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 20.1 p90 -137.58 166.01 24.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.319 1.012 . . . . 0.0 110.365 179.713 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -92.68 123.62 61.21 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.511 -179.517 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_endo -81.3 10.37 3.46 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.345 1.708 . . . . 0.0 112.475 -179.582 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -89.22 -64.36 1.29 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.234 0.959 . . . . 0.0 110.925 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 14.9 t -112.09 5.57 18.7 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.496 0.762 . . . . 0.0 112.399 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 16.6 m-80 64.91 66.74 0.56 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 123.934 0.771 . . . . 0.0 109.478 179.693 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 23.0 t -145.34 135.71 18.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 O-C-N 124.497 1.123 . . . . 0.0 110.052 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 95.1 t -73.72 139.19 19.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.428 1.08 . . . . 0.0 109.034 179.141 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -148.02 29.48 0.89 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.446 1.091 . . . . 0.0 110.079 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 85.6 m-70 -148.51 125.65 11.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.372 1.045 . . . . 0.0 109.793 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 12.9 t -66.09 113.64 13.19 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.584 1.177 . . . . 0.0 109.141 179.774 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -83.6 141.79 10.05 Favored 'Trans proline' 0 C--N 1.359 1.096 0 O-C-N 124.504 1.792 . . . . 0.0 110.571 179.601 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 4.3 p-80 -147.88 163.64 36.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.315 1.009 . . . . 0.0 109.804 -179.766 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.522 ' CG2' ' CG2' ' A' ' 52' ' ' VAL . 1.5 t . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.346 1.029 . . . . 0.0 109.825 179.707 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 6.3 t . . . . . 0 CA--C 1.531 0.234 0 N-CA-C 109.573 -0.529 . . . . 0.0 109.573 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -126.79 97.66 32.56 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.598 1.186 . . . . 0.0 111.233 -179.799 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 11.6 Cg_endo -71.58 -10.33 26.53 Favored 'Trans proline' 0 C--N 1.364 1.363 0 O-C-N 124.282 1.675 . . . . 0.0 112.851 -179.394 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.8 -7.2 51.27 Favored 'General case' 0 N--CA 1.449 -0.486 0 O-C-N 124.349 1.031 . . . . 0.0 111.52 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 3.9 t -103.8 30.82 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.095 0.872 . . . . 0.0 109.738 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.1 t -102.38 111.66 32.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 O-C-N 124.413 1.071 . . . . 0.0 109.272 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 121.05 -25.17 7.18 Favored Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.455 1.097 . . . . 0.0 111.472 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 56.4 mttt -77.54 162.05 27.42 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.482 0.754 . . . . 0.0 109.133 -179.294 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 80.9 p -96.65 171.99 8.19 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.065 0.853 . . . . 0.0 110.298 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 20.1 t -49.41 -59.07 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 111.667 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -49.29 -36.95 22.26 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.245 0.966 . . . . 0.0 111.459 -178.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 6.2 mm-40 -64.63 -51.51 62.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.345 1.028 . . . . 0.0 109.857 179.73 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.56 -2.08 15.7 Favored 'General case' 0 N--CA 1.453 -0.315 0 O-C-N 124.817 1.323 . . . . 0.0 112.945 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.26 -46.2 13.99 Favored 'General case' 0 C--N 1.321 -0.634 0 O-C-N 124.566 1.167 . . . . 0.0 109.389 179.771 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -73.72 -29.32 62.19 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 114.671 -1.15 . . . . 0.0 110.661 179.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -74.05 -48.22 31.42 Favored 'General case' 0 N--CA 1.451 -0.411 0 O-C-N 124.259 0.974 . . . . 0.0 112.126 -179.422 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -64.65 -25.03 67.78 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.523 1.139 . . . . 0.0 111.366 -179.799 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 29.7 m -77.68 -32.68 53.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.363 1.04 . . . . 0.0 112.363 -179.555 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 21.0 mt -84.57 -47.95 10.04 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 113.649 0.981 . . . . 0.0 113.649 -178.249 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 -86.0 -35.41 20.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.077 0.861 . . . . 0.0 112.795 -178.456 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 38.7 m-85 -121.99 55.87 6.53 Favored Pre-proline 0 C--N 1.324 -0.514 0 N-CA-C 113.545 0.943 . . . . 0.0 113.545 -178.564 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_endo -65.24 -27.02 56.35 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 123.977 1.514 . . . . 0.0 114.932 -178.579 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -94.56 19.36 9.9 Favored 'General case' 0 N--CA 1.449 -0.481 0 O-C-N 123.977 0.798 . . . . 0.0 112.223 -179.421 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . 0.258 0.6 OUTLIER -123.67 127.12 47.75 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 114.956 -1.02 . . . . 0.0 109.333 178.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -85.89 100.33 12.01 Favored 'General case' 0 C--N 1.322 -0.596 0 O-C-N 124.44 1.088 . . . . 0.0 108.665 178.69 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.1 t -86.18 144.04 10.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.384 1.053 . . . . 0.0 109.915 -179.567 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 2.6 m-30 -115.22 165.43 12.94 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.473 1.108 . . . . 0.0 110.528 179.219 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 -148.73 111.53 4.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.676 1.235 . . . . 0.0 110.837 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -144.03 174.93 3.12 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.338 1.024 . . . . 0.0 109.0 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 4.2 Cg_endo . . . . . 0 C--N 1.36 1.169 0 O-C-N 124.573 1.828 . . . . 0.0 110.737 179.572 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 52.8 m-85 . . . . . 0 N--CA 1.453 -0.321 0 CA-C-O 120.606 0.241 . . . . 0.0 111.124 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 29.1 p-10 -87.53 -5.52 58.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.355 1.034 . . . . 0.0 111.475 177.808 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 7.0 ttm180 -117.41 117.81 30.49 Favored 'General case' 0 C--N 1.322 -0.593 0 O-C-N 123.84 0.712 . . . . 0.0 109.264 -179.084 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 1.4 t -103.09 118.23 49.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.393 1.058 . . . . 0.0 109.98 -179.548 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 14.0 mtp85 -87.5 135.55 33.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.269 0.981 . . . . 0.0 111.149 179.459 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 16.8 t -125.72 156.71 35.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.202 0.939 . . . . 0.0 109.639 -179.672 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -129.97 143.78 50.98 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.444 1.09 . . . . 0.0 111.487 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 11.5 p90 -144.38 168.09 20.91 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 114.85 -1.068 . . . . 0.0 110.364 179.585 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -84.97 136.78 38.18 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.405 1.066 . . . . 0.0 109.553 -179.658 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_endo -83.29 13.23 2.72 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.254 1.66 . . . . 0.0 112.479 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -120.65 -65.02 0.26 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.468 1.105 . . . . 0.0 111.949 -179.641 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 9.9 t -88.97 -9.61 50.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.415 0.715 . . . . 0.0 112.549 -179.37 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 10.9 m-80 58.74 63.34 1.69 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.26 0.975 . . . . 0.0 108.951 -179.608 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 88.4 t -140.22 152.01 21.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 O-C-N 124.642 1.214 . . . . 0.0 110.058 -179.583 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 31.7 t -84.14 113.43 22.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.314 1.009 . . . . 0.0 109.207 179.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 2.0 p30 -105.31 -42.61 5.21 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.598 1.186 . . . . 0.0 110.113 -179.814 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 16.4 m-70 -85.77 134.78 33.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.372 1.045 . . . . 0.0 110.055 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 45.5 t -65.87 115.81 26.37 Favored Pre-proline 0 C--N 1.327 -0.396 0 O-C-N 124.396 1.06 . . . . 0.0 109.46 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_endo -74.97 142.39 27.89 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.556 1.819 . . . . 0.0 110.836 179.509 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 1.2 p80 -149.4 163.26 38.24 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.416 1.072 . . . . 0.0 109.779 -179.719 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.326 -0.439 0 O-C-N 124.47 1.106 . . . . 0.0 109.359 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 87.5 p . . . . . 0 N--CA 1.455 -0.199 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -126.72 97.11 33.8 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 111.028 -179.711 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_endo -75.34 -4.07 14.8 Favored 'Trans proline' 0 C--N 1.365 1.435 0 O-C-N 124.102 1.58 . . . . 0.0 112.985 -179.789 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -76.3 -14.94 60.09 Favored 'General case' 0 N--CA 1.448 -0.55 0 O-C-N 124.232 0.957 . . . . 0.0 112.258 -179.646 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 4.1 t -93.75 32.97 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 123.971 0.794 . . . . 0.0 109.996 -179.802 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 3.0 t -103.55 102.62 13.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.327 1.017 . . . . 0.0 109.027 179.735 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 127.65 -21.53 5.63 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.437 1.086 . . . . 0.0 111.561 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 16.3 mttm -75.37 162.16 28.63 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 -179.74 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 46.1 p -95.99 164.85 12.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.05 0.844 . . . . 0.0 110.555 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 12.1 t -49.23 -57.56 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.369 1.043 . . . . 0.0 111.4 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -51.2 -38.52 52.84 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.141 -0.936 . . . . 0.0 111.339 -179.019 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 21.2 mm-40 -63.5 -53.05 58.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 110.128 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.52 0.31 12.87 Favored 'General case' 0 C--N 1.327 -0.373 0 O-C-N 124.693 1.246 . . . . 0.0 112.988 -179.694 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 17.2 tpp85 -84.54 -46.46 11.57 Favored 'General case' 0 C--N 1.323 -0.576 0 O-C-N 124.418 1.074 . . . . 0.0 109.98 -179.621 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -75.15 -29.6 60.51 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 114.774 -1.103 . . . . 0.0 110.493 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 41.2 t80 -66.13 -48.24 71.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 111.006 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -71.47 -24.38 61.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.145 . . . . 0.0 111.846 -179.775 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 13.8 m -76.81 -33.51 57.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.267 0.979 . . . . 0.0 112.022 -179.444 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 10.3 mt -86.68 -47.31 9.26 Favored 'General case' 0 N--CA 1.45 -0.461 0 N-CA-C 113.792 1.034 . . . . 0.0 113.792 -178.278 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 81.1 m-70 -86.47 -31.97 21.06 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.097 0.873 . . . . 0.0 113.292 -177.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.476 ' CD1' ' N ' ' A' ' 29' ' ' TYR . 16.2 m-85 -124.61 63.38 36.6 Favored Pre-proline 0 C--O 1.24 0.578 0 N-CA-C 114.716 1.376 . . . . 0.0 114.716 -178.215 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_endo -72.22 -0.03 8.02 Favored 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 123.534 1.281 . . . . 0.0 113.129 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 7.8 pm0 -116.51 22.64 12.62 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.194 0.934 . . . . 0.0 110.461 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . 0.271 3.2 m-85 -128.31 123.08 33.11 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 114.885 -1.052 . . . . 0.0 110.125 -179.34 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -90.73 105.3 17.73 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.391 1.057 . . . . 0.0 108.797 179.004 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.4 t -86.93 150.05 3.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 O-C-N 124.418 1.073 . . . . 0.0 109.484 -179.498 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -126.0 103.25 7.64 Favored 'General case' 0 C--N 1.328 -0.354 0 O-C-N 124.299 1.0 . . . . 0.0 110.833 179.51 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 18.7 m-85 -92.11 120.69 32.95 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.387 1.054 . . . . 0.0 110.733 179.662 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 54.7 mt -147.2 161.31 36.95 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.25 0.969 . . . . 0.0 109.491 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 21.7 Cg_endo . . . . . 0 C--N 1.361 1.187 0 O-C-N 124.465 1.771 . . . . 0.0 110.956 179.575 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 76.0 m-85 . . . . . 0 CA--C 1.534 0.331 0 N-CA-C 111.682 0.253 . . . . 0.0 111.682 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 32.6 p-10 -95.65 -6.73 39.39 Favored 'General case' 0 C--N 1.323 -0.573 0 O-C-N 124.635 1.21 . . . . 0.0 112.485 -178.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 1.6 ttp180 -100.37 121.08 40.93 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.049 0.843 . . . . 0.0 110.129 -178.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.781 ' CG2' ' CG2' ' A' ' 69' ' ' VAL . 62.0 t -109.11 120.81 61.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 O-C-N 124.308 1.005 . . . . 0.0 110.558 -179.732 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 4.0 mtm180 -89.32 114.83 26.27 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 114.946 -1.025 . . . . 0.0 110.48 179.681 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 50.0 t -110.67 153.24 12.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.274 0.984 . . . . 0.0 110.048 -179.684 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -132.65 133.59 43.78 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 114.901 -1.045 . . . . 0.0 110.761 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.419 ' CD1' ' C ' ' A' ' 56' ' ' TYR . 3.6 p90 -137.08 167.28 21.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 110.805 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 -109.29 131.05 22.07 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.397 1.06 . . . . 0.0 109.565 -179.695 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 26.9 Cg_endo -79.06 -18.5 11.31 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.406 1.74 . . . . 0.0 111.748 179.606 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -50.19 -55.45 15.71 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.39 1.056 . . . . 0.0 111.57 -179.796 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 14.7 t -128.24 11.86 6.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.435 0.727 . . . . 0.0 112.063 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.6 m120 58.1 60.02 2.86 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 123.956 0.785 . . . . 0.0 109.916 179.567 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 53.7 t -142.54 147.73 20.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 O-C-N 124.428 1.08 . . . . 0.0 109.707 179.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 30.6 t -81.38 137.31 21.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.387 1.054 . . . . 0.0 110.037 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 30.1 p30 -143.91 26.91 1.51 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.453 1.095 . . . . 0.0 109.293 179.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 3.5 m-70 -141.54 128.9 21.17 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 114.886 -1.052 . . . . 0.0 109.114 179.688 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 83.9 t -58.92 111.44 3.69 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.759 1.287 . . . . 0.0 109.187 179.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_endo -82.02 95.42 0.9 Allowed 'Trans proline' 0 C--N 1.359 1.081 0 O-C-N 124.518 1.799 . . . . 0.0 111.388 -179.432 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -116.27 162.83 16.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.326 1.016 . . . . 0.0 109.492 179.849 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.781 ' CG2' ' CG2' ' A' ' 52' ' ' VAL . 65.3 t . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.554 1.159 . . . . 0.0 109.239 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 20.5 p . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -124.83 94.46 44.18 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.579 1.175 . . . . 0.0 111.013 -179.849 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 30.9 Cg_endo -77.48 -1.92 12.1 Favored 'Trans proline' 0 C--N 1.366 1.465 0 O-C-N 123.917 1.483 . . . . 0.0 113.114 -179.642 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -74.63 -21.42 59.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.267 0.98 . . . . 0.0 110.199 -179.486 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 3.4 t -90.73 44.92 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.457 1.098 . . . . 0.0 109.703 -179.738 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.1 t -111.37 111.04 34.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.138 179.773 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 118.99 -19.44 10.18 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.452 1.095 . . . . 0.0 111.483 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 10.5 mttt -73.11 -164.32 0.17 Allowed 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 72.9 p -127.59 168.21 15.3 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.503 1.127 . . . . 0.0 110.079 179.764 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 17.0 t -50.26 -59.77 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.454 1.097 . . . . 0.0 111.237 -179.756 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -51.59 -34.78 38.63 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.15 -0.932 . . . . 0.0 110.828 -179.107 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.95 -52.8 58.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.452 1.095 . . . . 0.0 109.72 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.62 -0.76 13.82 Favored 'General case' 0 C--N 1.328 -0.368 0 O-C-N 124.64 1.213 . . . . 0.0 113.061 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -83.4 -45.89 13.16 Favored 'General case' 0 C--N 1.322 -0.607 0 O-C-N 124.507 1.129 . . . . 0.0 109.785 -179.838 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -75.4 -25.18 57.4 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 114.76 -1.109 . . . . 0.0 110.596 -179.804 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 14.2 t80 -67.98 -53.86 22.89 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.402 1.064 . . . . 0.0 111.475 -179.801 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -67.81 -22.51 65.16 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.548 1.155 . . . . 0.0 112.046 -179.554 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 16.6 m -75.98 -32.86 59.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.34 1.025 . . . . 0.0 111.748 -179.649 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 16.2 mt -87.09 -45.64 10.53 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 113.734 1.013 . . . . 0.0 113.734 -178.304 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 11.8 m170 -84.45 -41.2 16.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.137 0.898 . . . . 0.0 113.005 -178.396 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 40.2 m-85 -124.41 66.04 43.27 Favored Pre-proline 0 C--O 1.241 0.646 0 N-CA-C 114.785 1.402 . . . . 0.0 114.785 -178.211 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -74.45 2.75 5.97 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 123.485 1.255 . . . . 0.0 113.338 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -112.79 21.27 15.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.302 1.001 . . . . 0.0 110.602 179.622 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . 0.26 3.4 m-85 -125.53 131.22 52.82 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 114.99 -1.005 . . . . 0.0 110.159 -179.779 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -89.09 97.63 11.31 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.353 1.033 . . . . 0.0 108.318 178.366 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 4.0 t -84.84 149.74 4.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.609 1.193 . . . . 0.0 110.93 -179.157 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 31.4 m-85 -142.09 123.47 14.84 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 114.758 -1.11 . . . . 0.0 110.451 179.586 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 49.9 m-85 -99.88 130.92 46.11 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.331 1.019 . . . . 0.0 111.439 -179.521 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.496 ' CB ' ' CD ' ' A' ' 38' ' ' PRO . 0.7 OUTLIER -129.55 178.32 1.75 Allowed Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.196 0.935 . . . . 0.0 108.562 179.093 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.496 ' CD ' ' CB ' ' A' ' 37' ' ' LEU . 4.3 Cg_endo . . . . . 0 C--N 1.36 1.143 0 O-C-N 124.455 1.766 . . . . 0.0 110.883 179.64 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 . . . . . 0 CA--C 1.536 0.414 0 N-CA-C 112.443 0.535 . . . . 0.0 112.443 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 -95.01 -7.2 40.4 Favored 'General case' 0 C--N 1.323 -0.582 0 O-C-N 124.828 1.33 . . . . 0.0 112.449 -178.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 1.2 ttm180 -102.32 131.58 48.84 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.093 0.871 . . . . 0.0 112.021 -178.468 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.673 ' CG2' ' CG2' ' A' ' 69' ' ' VAL . 55.6 t -117.28 146.45 21.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.37 1.044 . . . . 0.0 108.828 179.029 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.05 138.41 54.19 Favored 'General case' 0 C--N 1.323 -0.568 0 O-C-N 124.624 1.202 . . . . 0.0 110.113 -179.606 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 8.0 t -130.97 157.49 43.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.591 1.182 . . . . 0.0 109.802 -179.688 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 29.1 m-85 -127.11 140.23 52.41 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.421 1.076 . . . . 0.0 110.821 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.441 ' CD1' ' C ' ' A' ' 56' ' ' TYR . 6.4 p90 -145.52 165.52 28.37 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.646 1.216 . . . . 0.0 110.64 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -92.95 124.46 58.31 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.498 1.124 . . . . 0.0 109.481 -179.522 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 21.8 Cg_endo -77.65 6.01 4.8 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.326 1.698 . . . . 0.0 112.775 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -87.87 -73.67 1.28 Allowed Glycine 0 CA--C 1.529 0.966 0 N-CA-C 110.761 -0.936 . . . . 0.0 110.761 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 14.7 t -96.1 2.49 53.26 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.495 0.762 . . . . 0.0 112.38 179.593 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.9 m120 61.86 63.28 1.14 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 123.923 0.765 . . . . 0.0 109.776 179.682 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 53.8 t -142.41 141.61 27.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 O-C-N 124.46 1.1 . . . . 0.0 109.999 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 67.9 t -80.99 139.77 17.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 115.014 -0.994 . . . . 0.0 109.252 179.774 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 27.0 p30 -142.11 24.28 1.99 Allowed 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.508 1.13 . . . . 0.0 110.151 -179.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 78.9 m-70 -148.15 135.19 20.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.406 1.066 . . . . 0.0 109.676 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 13.4 t -66.48 114.88 19.24 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.605 1.191 . . . . 0.0 109.053 179.722 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 28.7 Cg_endo -76.34 113.35 3.66 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.502 1.791 . . . . 0.0 111.059 -179.536 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 2.1 p80 -109.99 163.17 13.82 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.435 1.084 . . . . 0.0 109.732 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.673 ' CG2' ' CG2' ' A' ' 52' ' ' VAL . 43.3 t . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.594 1.184 . . . . 0.0 109.005 179.497 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 63.8 m . . . . . 0 N--CA 1.453 -0.322 0 CA-C-O 120.615 0.245 . . . . 0.0 110.387 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -139.77 99.24 7.64 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.431 1.082 . . . . 0.0 110.754 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 29.3 Cg_endo -75.88 1.95 7.58 Favored 'Trans proline' 0 C--N 1.364 1.37 0 O-C-N 124.159 1.61 . . . . 0.0 112.839 -179.496 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -75.5 -24.13 56.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.206 0.941 . . . . 0.0 110.933 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -100.12 37.24 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.323 1.014 . . . . 0.0 109.284 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 4.0 t -102.71 101.83 12.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.456 1.097 . . . . 0.0 109.376 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 126.0 -20.35 6.36 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.532 1.145 . . . . 0.0 111.507 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.0 mttm -76.52 161.07 28.92 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 -179.486 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -93.36 166.62 12.2 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.061 0.851 . . . . 0.0 109.852 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 22.8 t -45.2 -62.84 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.497 0 O-C-N 124.094 0.871 . . . . 0.0 112.444 -179.657 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -50.54 -37.27 38.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 123.967 0.792 . . . . 0.0 111.62 -179.016 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 9.0 mm100 -64.96 -49.68 69.37 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.329 1.018 . . . . 0.0 110.467 -179.698 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.26 -3.46 17.22 Favored 'General case' 0 C--N 1.328 -0.33 0 O-C-N 124.584 1.178 . . . . 0.0 112.98 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.495 ' NH2' ' CE2' ' A' ' 36' ' ' PHE . 0.6 OUTLIER -83.53 -46.69 12.14 Favored 'General case' 0 C--N 1.322 -0.627 0 O-C-N 124.652 1.22 . . . . 0.0 109.603 179.801 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -69.03 -25.85 64.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 114.728 -1.124 . . . . 0.0 110.247 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 75.2 t80 -74.23 -48.75 26.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.405 1.066 . . . . 0.0 111.387 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -73.56 -22.16 60.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 111.877 -179.458 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 3.0 m -75.47 -33.51 60.84 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.324 1.015 . . . . 0.0 111.536 -179.706 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 17.5 mt -85.45 -45.39 11.88 Favored 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 114.234 1.198 . . . . 0.0 114.234 -178.159 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 12.0 m-70 -84.91 -39.77 17.8 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.113 0.883 . . . . 0.0 113.364 -178.121 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 33.1 m-85 -119.38 75.51 16.89 Favored Pre-proline 0 C--N 1.323 -0.583 0 N-CA-C 114.524 1.305 . . . . 0.0 114.524 -178.732 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 10.7 Cg_endo -76.23 5.41 4.61 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 123.689 1.362 . . . . 0.0 113.388 179.773 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -121.68 17.3 11.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.408 1.068 . . . . 0.0 111.384 179.792 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . 0.255 1.1 m-30 -123.39 118.39 27.37 Favored 'General case' 0 C--N 1.321 -0.649 0 O-C-N 124.174 0.921 . . . . 0.0 109.742 179.544 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -89.91 108.39 19.68 Favored 'General case' 0 C--N 1.323 -0.571 0 O-C-N 124.436 1.085 . . . . 0.0 108.273 178.658 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.7 t -85.86 148.14 4.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 0.0 110.728 -179.232 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 32.0 m-85 -129.65 123.63 31.68 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 114.682 -1.144 . . . . 0.0 109.95 179.228 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.495 ' CE2' ' NH2' ' A' ' 22' ' ' ARG . 55.1 m-85 -92.01 127.31 37.43 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.54 1.15 . . . . 0.0 111.533 -179.474 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.3 mp -134.19 152.2 77.83 Favored Pre-proline 0 C--N 1.324 -0.535 0 O-C-N 124.212 0.945 . . . . 0.0 108.513 179.548 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo . . . . . 0 C--N 1.357 0.976 0 O-C-N 124.648 1.867 . . . . 0.0 112.116 -179.128 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 68.5 m-85 . . . . . 0 N--CA 1.451 -0.398 0 N-CA-C 113.151 0.797 . . . . 0.0 113.151 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 -91.26 -6.63 52.96 Favored 'General case' 0 C--N 1.323 -0.568 0 O-C-N 124.382 1.051 . . . . 0.0 112.282 -179.739 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 5.6 ttm180 -130.41 121.28 25.63 Favored 'General case' 0 C--N 1.322 -0.615 0 O-C-N 124.202 0.939 . . . . 0.0 111.171 -177.489 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 54.3 t -113.92 129.64 69.46 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.344 0 O-C-N 124.104 0.878 . . . . 0.0 109.1 179.281 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 45.2 mtt-85 -90.2 147.09 23.78 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 114.9 -1.046 . . . . 0.0 111.877 -179.612 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.413 ' C ' ' CD1' ' A' ' 55' ' ' PHE . 38.9 t -142.12 144.85 24.65 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.367 0 CA-C-N 115.159 -0.928 . . . . 0.0 109.49 179.691 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.433 ' CD1' ' N ' ' A' ' 55' ' ' PHE . 0.8 OUTLIER -124.82 133.65 53.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.33 1.019 . . . . 0.0 111.117 -179.51 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 11.3 p90 -145.12 167.66 22.2 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.36 1.037 . . . . 0.0 110.286 179.731 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -85.72 147.94 47.47 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.23 0.956 . . . . 0.0 110.112 -179.353 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_endo -86.21 -32.09 0.26 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.155 1.608 . . . . 0.0 113.114 -179.071 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -99.44 33.23 6.36 Favored Glycine 0 CA--C 1.528 0.86 0 O-C-N 124.133 0.896 . . . . 0.0 113.609 -178.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -172.41 -41.43 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 O-C-N 124.483 0.755 . . . . 0.0 111.411 179.232 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 78.05 66.49 0.04 OUTLIER 'General case' 0 N--CA 1.45 -0.47 0 O-C-N 124.226 0.954 . . . . 0.0 110.606 -179.794 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 72.7 t -143.23 141.16 26.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 O-C-N 124.384 1.052 . . . . 0.0 108.925 179.047 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 85.0 t -82.95 99.16 5.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 O-C-N 124.568 1.167 . . . . 0.0 109.079 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 3.5 p30 -109.92 30.27 6.86 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.531 1.144 . . . . 0.0 109.812 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 32.1 m80 -146.19 136.04 23.4 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.305 1.003 . . . . 0.0 109.218 179.444 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 79.6 t -63.49 113.98 11.53 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.755 1.284 . . . . 0.0 109.093 179.65 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 30.7 Cg_endo -76.96 144.17 23.8 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.445 1.76 . . . . 0.0 111.043 -179.54 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 1.6 p80 -149.39 163.74 36.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.423 1.077 . . . . 0.0 109.716 -179.637 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 1.9 t . . . . . 0 C--N 1.324 -0.524 0 O-C-N 124.398 1.061 . . . . 0.0 109.478 179.74 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.467 ' CD1' ' N ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -127.76 102.42 22.51 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.441 1.088 . . . . 0.0 110.681 179.954 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -71.97 -10.12 25.67 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.345 1.708 . . . . 0.0 112.685 -179.062 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -74.89 1.9 11.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.052 0.845 . . . . 0.0 112.534 -179.814 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 16.5 t -103.56 -9.15 9.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 123.951 0.782 . . . . 0.0 111.62 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 5.4 t -72.24 101.76 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 123.895 0.747 . . . . 0.0 109.704 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 134.16 -25.46 3.49 Favored Glycine 0 CA--C 1.527 0.838 0 O-C-N 124.407 1.067 . . . . 0.0 112.795 179.54 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.8 mtmt -78.24 165.75 23.53 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 -179.217 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -99.52 163.67 12.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.44 1.087 . . . . 0.0 109.638 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.3 t -45.47 -60.75 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 N-CA-C 113.612 0.967 . . . . 0.0 113.612 -179.156 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -55.47 -33.14 63.39 Favored 'General case' 0 C--O 1.239 0.523 0 N-CA-C 112.689 0.625 . . . . 0.0 112.689 -178.199 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 8.3 mm100 -64.43 -52.12 59.7 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.337 1.023 . . . . 0.0 109.475 179.794 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.23 -1.34 14.81 Favored 'General case' 0 C--N 1.327 -0.37 0 O-C-N 124.634 1.209 . . . . 0.0 112.984 179.776 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.8 tpp85 -83.09 -45.56 13.83 Favored 'General case' 0 C--N 1.32 -0.684 0 O-C-N 124.561 1.163 . . . . 0.0 109.721 -179.788 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -73.82 -28.34 61.57 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 114.727 -1.124 . . . . 0.0 110.826 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 68.5 t80 -70.83 -48.37 54.38 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.433 1.083 . . . . 0.0 112.019 -179.744 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 11.6 m-30 -72.58 -20.27 61.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.319 1.012 . . . . 0.0 112.633 -179.278 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 3.9 m -77.4 -34.72 54.73 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.304 1.002 . . . . 0.0 112.069 -179.339 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 16.1 mt -87.65 -45.74 10.13 Favored 'General case' 0 N--CA 1.449 -0.484 0 O-C-N 124.275 0.984 . . . . 0.0 113.219 -178.41 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 14.4 m-70 -85.48 -36.06 20.81 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.259 0.974 . . . . 0.0 112.996 -178.39 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 10.3 m-85 -120.93 53.7 3.48 Favored Pre-proline 0 C--N 1.324 -0.52 0 N-CA-C 114.194 1.183 . . . . 0.0 114.194 -178.396 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -66.43 -18.72 55.16 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 123.992 1.522 . . . . 0.0 114.256 -179.002 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 8.4 pm0 -90.81 15.1 11.87 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 123.988 0.805 . . . . 0.0 112.403 -179.238 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . 0.263 1.0 OUTLIER -124.97 126.6 45.72 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.272 -0.876 . . . . 0.0 109.293 179.633 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 13.1 t0 -86.3 100.87 12.59 Favored 'General case' 0 C--N 1.322 -0.6 0 O-C-N 124.528 1.143 . . . . 0.0 108.224 178.103 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 3.5 t -83.97 150.07 4.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.605 1.191 . . . . 0.0 110.452 -179.53 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -142.25 126.8 17.87 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 114.818 -1.083 . . . . 0.0 110.479 179.337 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -102.81 133.3 48.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.371 1.044 . . . . 0.0 111.121 -179.757 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -148.52 164.72 20.43 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.393 1.058 . . . . 0.0 109.329 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 4.6 Cg_endo . . . . . 0 C--N 1.36 1.156 0 O-C-N 124.302 1.685 . . . . 0.0 110.816 -179.715 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 39.0 m-85 . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 112.043 0.386 . . . . 0.0 112.043 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 34.4 p-10 -87.92 -10.92 49.14 Favored 'General case' 0 C--N 1.323 -0.574 0 O-C-N 124.545 1.153 . . . . 0.0 111.627 179.348 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 3.2 ttp180 -110.27 126.19 53.91 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 123.962 0.789 . . . . 0.0 110.32 -179.721 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 93.1 t -114.1 105.3 18.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.318 1.011 . . . . 0.0 110.062 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 42.8 mtm-85 -88.61 130.19 35.33 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 114.828 -1.078 . . . . 0.0 110.928 179.719 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 2.6 t -115.04 160.72 14.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.155 0.909 . . . . 0.0 109.537 -179.766 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -128.3 134.31 48.89 Favored 'General case' 0 C--N 1.327 -0.39 0 O-C-N 124.449 1.093 . . . . 0.0 111.073 179.814 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 14.7 p90 -135.84 166.66 22.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.339 1.024 . . . . 0.0 110.05 179.492 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -86.62 133.72 39.3 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.332 1.02 . . . . 0.0 110.128 -179.406 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 27.6 Cg_endo -77.82 6.4 4.58 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.311 1.69 . . . . 0.0 112.629 179.472 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -94.85 -65.31 0.99 Allowed Glycine 0 CA--C 1.528 0.897 0 O-C-N 124.156 0.91 . . . . 0.0 112.006 -179.574 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 11.2 t -110.82 16.49 21.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.412 0.713 . . . . 0.0 111.725 -179.383 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 10.5 m120 53.68 25.68 5.21 Favored 'General case' 0 C--O 1.239 0.501 0 CA-C-N 115.856 -0.611 . . . . 0.0 112.51 178.44 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 82.9 t -100.94 145.67 10.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.141 0.901 . . . . 0.0 110.734 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 25.1 t -81.49 132.47 31.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 114.797 -1.092 . . . . 0.0 109.678 179.765 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 35.2 p30 -143.95 26.81 1.51 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.582 1.176 . . . . 0.0 109.273 179.763 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 38.2 m80 -135.9 123.58 22.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.388 1.055 . . . . 0.0 109.322 179.551 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 76.2 t -57.94 111.01 2.95 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.776 1.298 . . . . 0.0 109.206 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_endo -81.55 142.51 13.04 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.556 1.819 . . . . 0.0 110.641 -179.625 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 8.9 p80 -143.88 162.2 36.73 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.369 1.043 . . . . 0.0 110.201 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 9.5 t . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.709 1.256 . . . . 0.0 108.67 179.226 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 96.7 p . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.978 -0.378 . . . . 0.0 109.978 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -123.09 97.47 43.35 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.581 1.176 . . . . 0.0 110.706 179.739 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 11.5 Cg_endo -71.53 -9.98 26.02 Favored 'Trans proline' 0 C--N 1.364 1.361 0 O-C-N 124.344 1.708 . . . . 0.0 112.618 -179.317 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -72.14 -22.5 61.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.214 0.946 . . . . 0.0 110.583 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 3.5 t -91.14 46.06 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.445 1.091 . . . . 0.0 109.638 -179.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.1 t -116.05 120.07 63.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.472 1.108 . . . . 0.0 109.045 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 105.71 -23.05 30.66 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.529 1.143 . . . . 0.0 110.634 -179.551 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 22.2 mttm -71.53 162.66 29.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.711 0.889 . . . . 0.0 108.64 179.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -100.07 164.09 12.14 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.039 0.837 . . . . 0.0 110.254 -179.394 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 94.4 t -46.89 -59.43 0.67 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.551 0 O-C-N 124.206 0.941 . . . . 0.0 112.013 179.639 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -49.32 -39.35 30.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.241 0.963 . . . . 0.0 111.42 -179.004 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 8.7 mm100 -64.71 -50.76 65.67 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.327 1.017 . . . . 0.0 110.071 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.66 -3.14 16.93 Favored 'General case' 0 N--CA 1.452 -0.326 0 O-C-N 124.74 1.275 . . . . 0.0 113.0 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.26 -46.18 14.02 Favored 'General case' 0 C--N 1.322 -0.624 0 O-C-N 124.704 1.252 . . . . 0.0 109.45 179.664 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -71.53 -26.17 62.54 Favored 'General case' 0 C--N 1.328 -0.354 0 O-C-N 124.55 1.156 . . . . 0.0 109.982 179.752 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 74.6 t80 -74.76 -50.41 17.45 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.349 1.031 . . . . 0.0 111.221 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -68.63 -24.42 64.56 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.408 1.068 . . . . 0.0 111.76 -179.643 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 3.9 m -76.19 -33.65 59.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.242 0.964 . . . . 0.0 111.849 -179.678 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 19.8 mt -85.87 -47.92 9.23 Favored 'General case' 0 N--CA 1.45 -0.443 0 N-CA-C 114.078 1.14 . . . . 0.0 114.078 -178.122 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 30.1 m-70 -86.05 -32.53 21.38 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 123.976 0.798 . . . . 0.0 113.005 -178.02 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.446 ' N ' ' CD1' ' A' ' 29' ' ' TYR . 18.9 m-85 -124.19 62.88 30.9 Favored Pre-proline 0 C--O 1.241 0.634 0 N-CA-C 114.494 1.294 . . . . 0.0 114.494 -178.366 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -72.49 0.38 7.59 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 123.57 1.3 . . . . 0.0 112.982 179.609 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 9.0 pm0 -117.36 22.92 12.14 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.167 0.917 . . . . 0.0 110.417 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . 0.272 3.3 m-85 -128.97 125.86 38.34 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 114.824 -1.08 . . . . 0.0 109.999 -179.309 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -90.95 102.16 14.92 Favored 'General case' 0 C--N 1.323 -0.58 0 O-C-N 124.268 0.98 . . . . 0.0 108.765 179.134 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.6 t -86.74 150.82 3.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.52 -179.435 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -137.25 117.82 13.88 Favored 'General case' 0 C--N 1.328 -0.35 0 O-C-N 124.412 1.07 . . . . 0.0 110.937 179.681 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 48.1 m-85 -97.97 123.7 42.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.241 0.963 . . . . 0.0 110.5 179.741 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -149.08 164.74 19.88 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.276 0.985 . . . . 0.0 109.525 -179.526 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo . . . . . 0 C--N 1.359 1.114 0 O-C-N 124.41 1.742 . . . . 0.0 110.629 179.456 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 18.4 m-85 . . . . . 0 N--CA 1.451 -0.392 0 N-CA-C 110.832 -0.062 . . . . 0.0 110.832 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -87.53 -12.99 44.21 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.557 1.161 . . . . 0.0 111.87 179.801 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 2.9 ttp180 -107.54 118.54 36.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 123.955 0.784 . . . . 0.0 109.995 -179.71 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 2.0 t -93.64 147.05 5.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 O-C-N 124.314 1.009 . . . . 0.0 110.662 -179.576 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 1.4 mtt-85 -121.24 88.2 2.89 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 114.621 -1.172 . . . . 0.0 109.154 179.269 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 59.3 t -85.5 152.55 3.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 O-C-N 124.704 1.252 . . . . 0.0 109.706 -179.709 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 40.4 m-85 -125.55 145.34 50.16 Favored 'General case' 0 N--CA 1.452 -0.373 0 O-C-N 124.472 1.107 . . . . 0.0 111.829 -179.786 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 2.6 p90 -142.12 169.96 16.6 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.532 1.145 . . . . 0.0 110.188 179.573 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 19.2 t-20 -84.59 128.58 60.73 Favored Pre-proline 0 C--N 1.324 -0.531 0 CA-C-N 115.465 -0.788 . . . . 0.0 110.438 -179.236 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 25.2 Cg_endo -80.73 81.98 2.59 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.521 1.8 . . . . 0.0 110.729 179.349 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -168.78 -57.31 0.03 OUTLIER Glycine 0 CA--C 1.532 1.116 0 O-C-N 124.512 1.132 . . . . 0.0 110.721 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -119.63 -77.17 0.57 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.613 0.831 . . . . 0.0 110.203 179.611 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.2 p30 161.17 84.98 0.0 OUTLIER 'General case' 0 CA--C 1.541 0.607 0 O-C-N 124.223 0.952 . . . . 0.0 108.662 178.017 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 24.0 t -144.77 159.56 14.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 O-C-N 124.525 1.141 . . . . 0.0 108.917 179.426 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 90.2 t -109.65 115.88 50.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 O-C-N 124.622 1.201 . . . . 0.0 108.994 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -120.45 23.28 10.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.772 1.295 . . . . 0.0 110.197 -179.57 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 45.3 m-70 -144.68 125.3 14.09 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.407 1.067 . . . . 0.0 109.538 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 12.4 t -61.73 113.12 7.42 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.574 1.172 . . . . 0.0 109.118 179.758 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_endo -78.11 128.23 8.93 Favored 'Trans proline' 0 C--N 1.358 1.07 0 O-C-N 124.567 1.825 . . . . 0.0 110.52 -179.613 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 7.7 p-80 -120.41 163.77 17.39 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.342 1.026 . . . . 0.0 109.87 -179.499 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 1.5 t . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.129 . . . . 0.0 109.565 179.516 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.534 0.348 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -114.76 76.7 4.29 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.597 1.186 . . . . 0.0 113.374 -179.154 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 22.2 Cg_endo -70.82 -16.15 33.09 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.223 1.644 . . . . 0.0 113.064 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 46.9 tt0 -74.12 -15.02 61.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.111 0.882 . . . . 0.0 111.957 -179.478 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 8.5 t -91.18 48.16 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.316 1.01 . . . . 0.0 109.959 -179.673 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 71.7 t -118.79 133.66 64.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.388 1.055 . . . . 0.0 109.326 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 97.31 -14.76 63.19 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.436 1.085 . . . . 0.0 111.956 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 36.5 mttt -74.02 -131.71 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.559 0 O-C-N 124.409 0.711 . . . . 0.0 109.269 -179.174 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -168.34 163.3 12.84 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.468 0.651 . . . . 0.0 111.287 -179.249 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 22.1 t -49.47 -53.0 10.35 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.429 0 CA-C-N 115.061 -0.972 . . . . 0.0 111.99 -179.505 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -57.68 -41.99 82.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 123.964 0.79 . . . . 0.0 111.42 -179.138 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 14.2 tp60 -63.17 -53.59 50.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.242 0.964 . . . . 0.0 110.084 -179.785 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.53 -0.67 13.38 Favored 'General case' 0 N--CA 1.452 -0.368 0 O-C-N 124.647 1.217 . . . . 0.0 113.086 -179.648 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -81.76 -46.86 13.65 Favored 'General case' 0 C--N 1.321 -0.632 0 O-C-N 124.464 1.102 . . . . 0.0 108.996 179.617 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -78.01 -24.72 47.84 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 114.631 -1.168 . . . . 0.0 110.851 -179.753 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 62.3 t80 -75.7 -50.09 16.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.261 0.975 . . . . 0.0 113.118 -179.116 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 19.4 m-85 -73.12 -21.36 60.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.34 1.025 . . . . 0.0 111.878 -179.355 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.8 m -77.15 -34.6 56.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.32 1.013 . . . . 0.0 112.008 -179.663 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 16.3 mt -86.65 -46.32 10.18 Favored 'General case' 0 N--CA 1.451 -0.412 0 O-C-N 124.183 0.927 . . . . 0.0 113.442 -178.351 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 31.6 m-70 -85.43 -36.18 20.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.119 0.887 . . . . 0.0 112.862 -178.426 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 13.0 m-85 -121.19 53.49 3.59 Favored Pre-proline 0 C--N 1.323 -0.549 0 N-CA-C 114.147 1.166 . . . . 0.0 114.147 -178.508 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -67.39 -10.03 27.29 Favored 'Trans proline' 0 C--N 1.359 1.089 0 O-C-N 123.852 1.449 . . . . 0.0 113.075 -179.039 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -97.36 18.09 15.99 Favored 'General case' 0 N--CA 1.451 -0.377 0 O-C-N 124.325 1.016 . . . . 0.0 112.091 -179.225 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . 0.268 3.6 m-85 -129.52 133.16 47.1 Favored 'General case' 0 C--N 1.322 -0.606 0 O-C-N 124.133 0.896 . . . . 0.0 110.555 -178.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 15.4 t0 -92.84 102.79 15.18 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.303 1.002 . . . . 0.0 108.688 179.221 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.5 t -86.22 148.53 4.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.449 1.093 . . . . 0.0 110.23 -179.598 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -136.37 114.41 11.41 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 114.87 -1.059 . . . . 0.0 110.636 179.751 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 64.6 m-85 -91.88 129.33 37.87 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.29 0.994 . . . . 0.0 110.984 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -144.42 164.14 30.29 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.348 1.03 . . . . 0.0 109.017 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 24.8 Cg_endo . . . . . 0 C--N 1.36 1.143 0 O-C-N 124.42 1.747 . . . . 0.0 110.981 179.659 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 21.1 m-30 . . . . . 0 N--CA 1.452 -0.359 0 N-CA-C 114.209 1.188 . . . . 0.0 114.209 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 15.8 p-10 -91.18 -12.77 34.39 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.464 1.102 . . . . 0.0 112.483 -178.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 8.4 ttm180 -112.94 124.09 51.81 Favored 'General case' 0 C--N 1.323 -0.571 0 O-C-N 124.057 0.848 . . . . 0.0 110.356 -179.443 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 47.1 t -98.36 146.83 7.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 O-C-N 124.393 1.058 . . . . 0.0 109.524 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 1.9 mtm180 -118.74 95.24 4.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.384 1.052 . . . . 0.0 109.574 179.761 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 9.7 t -88.24 156.38 3.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.694 1.247 . . . . 0.0 110.094 -179.598 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 45.0 m-85 -128.49 147.47 50.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.414 1.071 . . . . 0.0 110.798 179.646 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 10.5 p90 -147.88 166.44 27.63 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.593 1.183 . . . . 0.0 111.584 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -85.78 138.66 35.33 Favored Pre-proline 0 C--N 1.326 -0.425 0 CA-C-N 114.821 -1.081 . . . . 0.0 109.393 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 30.7 Cg_endo -80.95 9.98 3.58 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.38 1.727 . . . . 0.0 112.525 179.641 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -91.08 -87.34 1.41 Allowed Glycine 0 CA--C 1.529 0.93 0 O-C-N 124.166 0.916 . . . . 0.0 110.99 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 14.9 t -91.92 2.81 56.29 Favored 'General case' 0 N--CA 1.449 -0.484 0 O-C-N 124.395 0.703 . . . . 0.0 112.491 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 3.6 m120 66.71 67.15 0.43 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.175 0.922 . . . . 0.0 109.285 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 2.1 t -135.84 140.48 44.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.402 1.064 . . . . 0.0 109.333 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 41.0 t -75.67 141.37 15.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.414 1.071 . . . . 0.0 109.442 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.4 ' ND2' ' CE1' ' A' ' 65' ' ' HIS . 1.1 p30 -149.26 29.34 0.79 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.452 1.095 . . . . 0.0 110.008 -179.708 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . 0.4 ' CE1' ' ND2' ' A' ' 64' ' ' ASN . 33.2 m80 -147.94 123.54 10.45 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 115.199 -0.91 . . . . 0.0 109.346 179.562 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 89.0 t -54.28 109.26 1.44 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.734 1.271 . . . . 0.0 109.567 179.799 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 45.4 Cg_endo -84.17 91.55 0.82 Allowed 'Trans proline' 0 C--N 1.358 1.057 0 O-C-N 124.443 1.759 . . . . 0.0 110.744 179.557 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -90.77 162.3 14.93 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.138 0.899 . . . . 0.0 110.052 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 15.9 t . . . . . 0 C--N 1.327 -0.401 0 O-C-N 124.427 1.08 . . . . 0.0 109.346 -179.99 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -135.14 104.75 10.38 Favored Pre-proline 0 N--CA 1.45 -0.464 0 O-C-N 124.373 1.045 . . . . 0.0 112.007 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 15.0 Cg_endo -71.62 -11.13 27.71 Favored 'Trans proline' 0 C--N 1.363 1.326 0 O-C-N 124.147 1.604 . . . . 0.0 112.507 -179.464 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -76.02 -18.61 59.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.062 0.851 . . . . 0.0 111.466 -179.651 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 19.6 t -91.67 50.82 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.294 0.996 . . . . 0.0 109.878 -179.598 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 24.6 t -139.43 120.98 15.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.385 1.053 . . . . 0.0 109.217 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 110.27 -31.13 7.65 Favored Glycine 0 CA--C 1.528 0.891 0 O-C-N 124.502 1.126 . . . . 0.0 112.163 179.767 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.35 162.45 25.56 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.368 0.687 . . . . 0.0 109.184 -179.028 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 65.3 p -91.08 169.73 10.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.036 0.835 . . . . 0.0 110.269 179.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 20.6 t -48.72 -58.39 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 111.718 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -50.62 -39.63 50.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.322 1.014 . . . . 0.0 111.013 -179.171 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 6.6 mm100 -63.65 -52.7 59.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.457 1.098 . . . . 0.0 110.206 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.85 -0.33 13.16 Favored 'General case' 0 N--CA 1.451 -0.388 0 O-C-N 124.604 1.19 . . . . 0.0 113.049 -179.798 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -83.54 -46.74 12.08 Favored 'General case' 0 C--N 1.321 -0.657 0 O-C-N 124.441 1.088 . . . . 0.0 109.543 -179.857 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -72.92 -26.17 61.31 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 114.659 -1.155 . . . . 0.0 110.137 179.692 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 68.1 t80 -70.06 -52.04 27.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.561 1.163 . . . . 0.0 111.331 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -69.82 -26.28 64.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.539 1.149 . . . . 0.0 110.844 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 7.4 m -78.23 -34.61 49.13 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 112.179 -179.534 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 25.6 mt -80.14 -48.78 12.66 Favored 'General case' 0 N--CA 1.448 -0.545 0 N-CA-C 113.587 0.958 . . . . 0.0 113.587 -178.378 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 15.2 m80 -87.77 -34.97 18.13 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.171 0.92 . . . . 0.0 113.319 -177.642 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 40.5 m-85 -123.76 56.64 10.9 Favored Pre-proline 0 C--N 1.324 -0.516 0 N-CA-C 114.313 1.227 . . . . 0.0 114.313 -178.359 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -69.01 -7.41 20.76 Favored 'Trans proline' 0 C--N 1.358 1.055 0 O-C-N 123.949 1.5 . . . . 0.0 113.28 -179.064 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -102.31 17.56 23.16 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.448 1.092 . . . . 0.0 111.811 -179.498 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . 0.259 1.8 m-85 -124.66 134.96 52.71 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.226 -0.897 . . . . 0.0 109.958 179.807 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 15.7 t0 -89.32 92.19 9.06 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.518 1.136 . . . . 0.0 108.569 178.664 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.5 t -85.35 150.14 4.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.537 1.148 . . . . 0.0 109.935 -179.636 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -123.39 156.79 34.76 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.323 1.015 . . . . 0.0 110.803 179.802 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -143.01 107.89 4.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 110.972 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -143.3 166.54 19.53 Favored Pre-proline 0 C--N 1.326 -0.425 0 O-C-N 124.315 1.009 . . . . 0.0 109.195 -179.86 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo . . . . . 0 C--N 1.36 1.17 0 O-C-N 124.539 1.81 . . . . 0.0 111.214 -179.592 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 63.6 m-85 . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 113.199 0.814 . . . . 0.0 113.199 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 48.7 p-10 -87.87 -11.35 47.99 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.442 1.089 . . . . 0.0 111.797 179.441 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 3.1 ttm180 -106.8 113.23 26.6 Favored 'General case' 0 C--N 1.323 -0.577 0 O-C-N 123.988 0.805 . . . . 0.0 109.664 179.801 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 46.8 t -105.45 154.53 6.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 O-C-N 124.355 1.034 . . . . 0.0 110.756 -179.313 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 46.2 mtt180 -122.24 136.54 54.92 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 114.751 -1.113 . . . . 0.0 109.511 179.821 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 21.6 t -123.91 154.76 30.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.637 1.211 . . . . 0.0 109.862 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 63.8 m-85 -126.17 140.59 52.44 Favored 'General case' 0 C--N 1.327 -0.392 0 O-C-N 124.464 1.102 . . . . 0.0 111.257 179.755 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 13.0 p90 -139.76 170.37 16.01 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 114.919 -1.037 . . . . 0.0 110.435 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -87.68 129.75 49.58 Favored Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.313 1.008 . . . . 0.0 109.505 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_endo -85.03 37.85 0.63 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.236 1.65 . . . . 0.0 113.266 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -141.81 -63.86 0.03 OUTLIER Glycine 0 CA--C 1.531 1.052 0 N-CA-C 110.585 -1.006 . . . . 0.0 110.585 179.663 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 9.3 t -88.13 -18.5 28.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 0.784 . . . . 0.0 111.064 179.521 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 69.81 63.12 0.25 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.206 0.941 . . . . 0.0 109.033 -179.677 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 96.2 t -142.21 143.28 26.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.578 1.174 . . . . 0.0 109.827 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 66.1 t -80.99 129.67 37.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 114.99 -1.005 . . . . 0.0 109.091 179.721 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -142.1 35.55 1.54 Allowed 'General case' 0 C--N 1.327 -0.386 0 O-C-N 124.517 1.135 . . . . 0.0 110.505 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 14.9 m80 -148.55 123.83 10.22 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.351 1.032 . . . . 0.0 109.331 179.582 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 60.4 t -57.4 110.3 2.37 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.778 1.299 . . . . 0.0 109.117 179.572 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -83.76 111.36 1.71 Allowed 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.445 1.761 . . . . 0.0 111.576 -179.28 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -106.17 164.62 11.85 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.1 -0.955 . . . . 0.0 109.246 179.761 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 1.4 t . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.647 1.217 . . . . 0.0 108.947 178.975 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.9 p . . . . . 0 CA--C 1.532 0.257 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -122.21 98.01 44.81 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 111.226 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 10.9 Cg_endo -71.08 -8.9 24.57 Favored 'Trans proline' 0 C--N 1.366 1.484 0 O-C-N 124.046 1.551 . . . . 0.0 112.561 -179.758 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -79.67 8.13 7.15 Favored 'General case' 0 C--N 1.323 -0.566 0 O-C-N 123.994 0.809 . . . . 0.0 112.67 -179.141 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 59.9 t -95.27 -25.05 4.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 124.074 0.858 . . . . 0.0 110.207 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 6.4 t -60.26 125.26 16.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.552 -179.784 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 117.04 -39.29 2.71 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.507 1.129 . . . . 0.0 112.782 179.477 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.3 mtpt -77.1 166.36 23.38 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.325 0.662 . . . . 0.0 109.771 -179.017 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -100.32 166.99 10.69 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.121 . . . . 0.0 110.012 -179.645 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 24.1 t -46.24 -63.08 0.31 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.533 0 O-C-N 123.873 0.733 . . . . 0.0 112.597 -179.527 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 14.9 p-10 -50.44 -40.23 49.94 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 123.904 0.753 . . . . 0.0 111.804 -178.704 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 9.4 tp60 -63.68 -51.77 63.6 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.239 -0.891 . . . . 0.0 110.086 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.78 -5.72 17.72 Favored 'General case' 0 N--CA 1.452 -0.339 0 O-C-N 124.398 1.061 . . . . 0.0 113.359 -179.655 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -80.64 -46.29 15.86 Favored 'General case' 0 C--N 1.32 -0.709 0 O-C-N 124.936 1.397 . . . . 0.0 109.031 179.167 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.24 -24.43 64.0 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 114.412 -1.267 . . . . 0.0 109.961 179.383 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.441 ' CD1' ' C ' ' A' ' 24' ' ' TYR . 3.7 t80 -65.54 -51.44 59.86 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 110.777 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -68.7 -23.22 64.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 110.593 179.745 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 23.7 m -67.64 -30.33 69.87 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.319 1.012 . . . . 0.0 110.21 179.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 16.5 mt -86.44 -46.19 10.45 Favored 'General case' 0 N--CA 1.449 -0.49 0 N-CA-C 114.269 1.211 . . . . 0.0 114.269 -178.196 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 90.1 m-70 -86.24 -53.65 4.91 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.054 0.846 . . . . 0.0 113.234 -177.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 51.5 m-85 -119.26 75.47 15.92 Favored Pre-proline 0 C--N 1.323 -0.559 0 N-CA-C 114.052 1.13 . . . . 0.0 114.052 -178.329 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -73.9 2.12 6.34 Favored 'Trans proline' 0 C--N 1.359 1.091 0 O-C-N 123.817 1.43 . . . . 0.0 113.229 -178.798 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 6.3 pm0 -115.38 21.11 14.35 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.287 0.992 . . . . 0.0 110.705 179.59 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 1.6 m-30 -120.37 117.5 27.92 Favored 'General case' 0 C--N 1.322 -0.601 0 O-C-N 124.258 0.973 . . . . 0.0 110.273 179.55 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -85.74 102.59 13.77 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 107.856 -1.164 . . . . 0.0 107.856 177.299 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.5 t -84.85 150.64 3.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 O-C-N 124.536 1.148 . . . . 0.0 110.946 -178.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 6.6 m-30 -114.82 147.37 39.93 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.027 -0.988 . . . . 0.0 110.271 179.186 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -128.38 115.65 18.57 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.684 1.24 . . . . 0.0 110.7 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.5 mt -144.75 160.68 46.4 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.315 1.009 . . . . 0.0 109.219 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 22.1 Cg_endo . . . . . 0 C--N 1.359 1.094 0 O-C-N 124.515 1.797 . . . . 0.0 110.56 179.427 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 69.9 m-85 . . . . . 0 N--CA 1.45 -0.434 0 N-CA-C 112.945 0.72 . . . . 0.0 112.945 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -88.97 -11.6 43.9 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.458 1.099 . . . . 0.0 112.08 -179.656 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 11.7 ttm180 -122.6 123.68 41.74 Favored 'General case' 0 C--N 1.323 -0.575 0 O-C-N 124.138 0.899 . . . . 0.0 111.107 -178.56 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.582 ' CG2' ' CG2' ' A' ' 69' ' ' VAL . 65.7 t -117.3 154.35 19.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.274 0.983 . . . . 0.0 108.486 179.255 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 2.5 mtm-85 -122.01 149.85 42.91 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.488 1.118 . . . . 0.0 110.275 -179.237 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 77.0 t -142.11 149.25 19.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 O-C-N 124.459 1.1 . . . . 0.0 109.684 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.499 ' N ' ' CD1' ' A' ' 55' ' ' PHE . 1.0 OUTLIER -118.63 134.38 55.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 110.902 -179.912 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 14.0 p90 -142.89 168.19 20.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.427 1.079 . . . . 0.0 110.468 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -85.0 132.39 45.85 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.434 1.084 . . . . 0.0 109.623 -179.649 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_endo -81.1 10.24 3.49 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.268 1.667 . . . . 0.0 112.403 179.58 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -95.76 -67.49 0.98 Allowed Glycine 0 CA--C 1.529 0.923 0 O-C-N 124.138 0.899 . . . . 0.0 111.649 -179.643 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 14.3 t -108.93 -0.21 19.79 Favored 'General case' 0 N--CA 1.45 -0.47 0 O-C-N 124.309 0.652 . . . . 0.0 112.726 -179.676 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 8.2 m-20 68.79 70.98 0.28 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.073 0.858 . . . . 0.0 109.21 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 12.1 t -143.47 134.18 22.2 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.363 0 O-C-N 124.57 1.169 . . . . 0.0 110.476 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 61.5 t -72.39 132.87 32.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 114.874 -1.057 . . . . 0.0 109.74 179.764 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 16.4 p30 -140.16 24.71 2.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.429 1.081 . . . . 0.0 109.826 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 78.5 m-70 -148.34 139.68 23.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.349 1.031 . . . . 0.0 109.527 179.779 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 10.8 t -66.55 114.74 18.74 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.494 1.121 . . . . 0.0 109.583 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -79.78 145.62 18.14 Favored 'Trans proline' 0 C--N 1.358 1.064 0 O-C-N 124.532 1.806 . . . . 0.0 110.865 179.54 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -140.17 163.3 33.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.314 1.008 . . . . 0.0 109.633 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.582 ' CG2' ' CG2' ' A' ' 52' ' ' VAL . 6.3 t . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 0.0 109.312 179.9 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 91.9 p . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -124.57 97.67 38.92 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.555 1.16 . . . . 0.0 110.791 179.763 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -73.61 -6.17 18.28 Favored 'Trans proline' 0 C--N 1.365 1.421 0 O-C-N 124.159 1.61 . . . . 0.0 112.611 -179.767 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 23.0 tp10 -71.07 -20.12 62.39 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.105 0.878 . . . . 0.0 110.903 -179.98 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 3.3 t -91.59 45.28 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.314 1.009 . . . . 0.0 109.226 179.881 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 37.6 t -115.03 123.2 70.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.157 . . . . 0.0 109.177 179.854 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 113.87 -23.43 13.1 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.599 1.187 . . . . 0.0 110.988 -179.958 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.7 mttp -76.21 162.37 28.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 0.774 . . . . 0.0 108.982 -179.606 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -98.77 164.22 12.31 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.105 0.878 . . . . 0.0 109.895 179.962 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 40.2 t -45.12 -59.94 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.322 1.014 . . . . 0.0 112.719 -179.448 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -50.55 -40.19 51.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.011 0.82 . . . . 0.0 111.327 -179.122 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 13.8 mm-40 -63.69 -52.53 60.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.348 1.03 . . . . 0.0 110.084 -179.822 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.39 -0.86 13.56 Favored 'General case' 0 N--CA 1.452 -0.348 0 O-C-N 124.691 1.244 . . . . 0.0 113.108 -179.688 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 11.2 tpp85 -83.03 -46.68 12.56 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 124.456 1.098 . . . . 0.0 109.526 179.86 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -73.97 -23.94 59.55 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 114.444 -1.253 . . . . 0.0 110.566 179.951 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 39.4 t80 -69.84 -49.13 55.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.445 1.091 . . . . 0.0 112.202 -179.585 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -70.89 -22.88 62.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 111.871 -179.414 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 45.5 m -74.55 -30.9 61.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.237 0.96 . . . . 0.0 111.46 -179.797 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 17.4 mt -88.86 -45.31 9.82 Favored 'General case' 0 N--CA 1.449 -0.491 0 N-CA-C 114.336 1.236 . . . . 0.0 114.336 -178.025 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 93.9 m-70 -82.8 -42.1 18.3 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.062 0.851 . . . . 0.0 112.877 -178.604 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 46.0 m-85 -119.62 75.66 18.79 Favored Pre-proline 0 C--N 1.323 -0.576 0 N-CA-C 114.068 1.136 . . . . 0.0 114.068 -178.925 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 22.3 Cg_endo -80.82 10.22 3.44 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.01 1.531 . . . . 0.0 112.916 179.976 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -124.54 19.36 8.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.431 1.082 . . . . 0.0 111.283 -179.713 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . 0.273 3.1 m-85 -129.58 134.85 47.95 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.16 -0.927 . . . . 0.0 110.043 -179.358 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -89.53 97.61 11.29 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.422 1.076 . . . . 0.0 108.365 178.652 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 3.1 t -84.1 151.38 3.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.627 1.204 . . . . 0.0 109.324 -179.807 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 47.6 m-85 -144.61 131.53 20.3 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.585 1.178 . . . . 0.0 110.969 179.754 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 32.3 m-85 -113.38 106.33 14.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.374 1.046 . . . . 0.0 110.469 179.8 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 52.2 mt -130.94 164.22 43.54 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.284 0.99 . . . . 0.0 109.412 -179.518 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_endo . . . . . 0 C--N 1.361 1.227 0 O-C-N 124.386 1.73 . . . . 0.0 110.745 179.584 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 62.6 m-85 . . . . . 0 CA--C 1.535 0.402 0 CA-C-O 120.646 0.26 . . . . 0.0 110.412 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -93.7 -9.17 38.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.683 1.24 . . . . 0.0 112.199 -179.132 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 1.7 ttp180 -108.8 128.87 55.27 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.086 0.866 . . . . 0.0 109.937 -179.323 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 5.6 t -99.57 137.68 26.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 124.414 1.071 . . . . 0.0 109.328 179.839 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.14 93.46 4.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.828 179.965 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.7 t -92.04 159.6 2.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.597 1.186 . . . . 0.0 109.143 179.727 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -125.99 146.29 49.94 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.455 1.097 . . . . 0.0 111.449 -179.869 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 19.5 p90 -144.55 166.65 24.55 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.484 1.115 . . . . 0.0 110.543 179.747 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -91.66 126.35 54.34 Favored Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 124.578 1.174 . . . . 0.0 109.421 -179.779 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_endo -73.85 1.71 6.76 Favored 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.412 1.743 . . . . 0.0 112.774 -179.757 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -99.79 -78.65 1.38 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.168 0.917 . . . . 0.0 111.628 -179.611 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.8 t -70.92 -16.38 62.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.399 0.705 . . . . 0.0 111.699 -179.864 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 68.9 43.74 1.15 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.303 1.002 . . . . 0.0 108.995 -179.663 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 22.6 t -133.95 149.57 30.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.597 1.185 . . . . 0.0 109.379 -179.824 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 42.8 t -79.25 130.18 36.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.39 1.056 . . . . 0.0 109.476 -179.983 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.438 ' ND2' ' CD2' ' A' ' 65' ' ' HIS . 0.9 OUTLIER -135.08 27.81 3.5 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.671 1.232 . . . . 0.0 109.218 179.948 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . 0.438 ' CD2' ' ND2' ' A' ' 64' ' ' ASN . 98.3 m-70 -144.73 124.89 13.66 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.475 1.11 . . . . 0.0 109.654 179.905 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 38.6 t -55.87 112.01 3.81 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.566 1.166 . . . . 0.0 108.918 179.71 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_endo -73.44 140.35 30.03 Favored 'Trans proline' 0 C--N 1.361 1.223 0 O-C-N 124.572 1.827 . . . . 0.0 111.27 -179.375 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 3.3 p-80 -138.41 165.05 27.78 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 114.906 -1.043 . . . . 0.0 109.039 -179.929 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 3.8 t . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 109.546 179.763 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 30.8 p . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.919 -0.4 . . . . 0.0 109.919 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -126.8 97.78 32.32 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.903 -179.866 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_endo -77.18 -1.51 11.69 Favored 'Trans proline' 0 C--N 1.363 1.312 0 O-C-N 124.114 1.586 . . . . 0.0 113.092 -179.761 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.23 -25.81 60.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.291 0.995 . . . . 0.0 109.948 -179.441 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 9.7 p -95.1 39.36 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.661 1.225 . . . . 0.0 109.987 -179.766 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.5 t -98.6 137.36 26.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.387 1.055 . . . . 0.0 109.138 179.819 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 90.58 -15.51 60.11 Favored Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.463 1.102 . . . . 0.0 112.059 -179.944 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.9 mttt -72.16 -165.66 0.19 Allowed 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 -179.967 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.1 p -129.17 166.68 18.87 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.256 0.972 . . . . 0.0 110.264 -179.735 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 58.6 t -48.05 -58.48 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 111.761 -179.82 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -55.11 -36.11 65.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.215 0.947 . . . . 0.0 111.041 -179.082 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.66 -52.67 56.11 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.551 1.157 . . . . 0.0 109.352 -179.833 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.19 -0.37 14.08 Favored 'General case' 0 C--N 1.329 -0.303 0 O-C-N 124.592 1.182 . . . . 0.0 112.741 179.971 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 8.2 ttm180 -82.2 -46.12 14.17 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 124.468 1.105 . . . . 0.0 109.352 179.697 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -73.01 -27.59 61.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 114.722 -1.127 . . . . 0.0 110.169 179.749 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 22.8 t80 -64.13 -49.7 71.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.561 1.163 . . . . 0.0 111.433 -179.963 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -67.52 -25.66 65.95 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.501 1.126 . . . . 0.0 111.233 -179.788 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 87.2 m -72.7 -30.51 64.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.153 0.908 . . . . 0.0 110.878 179.984 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 15.1 mt -87.97 -43.94 11.38 Favored 'General case' 0 N--CA 1.449 -0.493 0 N-CA-C 113.624 0.972 . . . . 0.0 113.624 -178.317 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 4.5 m80 -89.45 -48.23 7.47 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 113.748 1.018 . . . . 0.0 113.748 -176.849 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 42.3 m-85 -119.6 75.51 18.52 Favored Pre-proline 0 C--N 1.324 -0.511 0 N-CA-C 114.719 1.377 . . . . 0.0 114.719 -178.54 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 5.5 Cg_endo -72.61 0.83 7.0 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 123.82 1.432 . . . . 0.0 113.184 179.763 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 6.3 pm0 -117.5 21.57 12.95 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.267 0.979 . . . . 0.0 110.678 179.876 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . 0.255 1.1 m-30 -123.02 115.52 22.01 Favored 'General case' 0 N--CA 1.447 -0.575 0 CA-C-N 115.018 -0.992 . . . . 0.0 109.922 179.816 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 85.9 m-20 -86.92 104.41 16.22 Favored 'General case' 0 C--N 1.323 -0.578 0 O-C-N 124.407 1.067 . . . . 0.0 108.236 178.233 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 3.4 t -85.57 151.16 3.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.515 1.134 . . . . 0.0 110.589 -179.05 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 34.6 m-85 -136.62 119.76 16.61 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 114.85 -1.068 . . . . 0.0 110.434 179.537 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 55.5 m-85 -92.09 138.3 31.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.261 0.975 . . . . 0.0 111.543 -179.707 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -143.78 155.09 59.74 Favored Pre-proline 0 C--N 1.326 -0.427 0 O-C-N 124.354 1.034 . . . . 0.0 109.079 179.861 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.359 1.122 0 O-C-N 124.54 1.811 . . . . 0.0 110.963 -179.638 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 10.4 m-30 . . . . . 0 CA--C 1.534 0.334 0 N-CA-C 111.404 0.15 . . . . 0.0 111.404 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -92.09 -9.15 43.69 Favored 'General case' 0 N--CA 1.449 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 112.152 -179.453 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 1.7 ttp180 -114.7 125.5 53.8 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 123.989 0.805 . . . . 0.0 110.915 -178.938 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -120.3 117.42 53.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 O-C-N 124.368 1.043 . . . . 0.0 110.175 179.956 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 12.0 mtp85 -87.88 135.75 33.26 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 114.977 -1.01 . . . . 0.0 110.796 179.655 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 74.6 t -123.19 150.72 27.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.209 0.943 . . . . 0.0 109.605 -179.868 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 56.5 m-85 -125.15 139.18 53.99 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.458 1.099 . . . . 0.0 111.121 179.817 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 36.2 p90 -143.62 159.75 41.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 0.0 110.438 179.763 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -66.88 142.86 97.69 Favored Pre-proline 0 C--N 1.327 -0.378 0 O-C-N 124.563 1.164 . . . . 0.0 109.691 -179.274 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_endo -81.08 10.24 3.49 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.296 1.682 . . . . 0.0 112.535 -179.89 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -111.94 -85.54 1.52 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.246 0.966 . . . . 0.0 112.317 -179.55 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 10.2 t -77.21 -13.08 60.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.332 0.666 . . . . 0.0 112.211 -179.249 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 4.6 m120 70.47 73.62 0.21 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.418 1.074 . . . . 0.0 108.891 -179.554 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 9.5 t -141.33 134.45 30.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.655 1.222 . . . . 0.0 110.13 -179.616 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 38.1 t -69.95 121.87 20.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.37 1.044 . . . . 0.0 109.032 179.333 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.403 ' ND2' ' CE1' ' A' ' 65' ' ' HIS . 1.5 p30 -135.35 27.54 3.43 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.604 1.19 . . . . 0.0 109.071 179.813 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . 0.403 ' CE1' ' ND2' ' A' ' 64' ' ' ASN . 30.9 m80 -143.66 124.53 14.28 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 114.794 -1.094 . . . . 0.0 108.878 179.45 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 85.5 t -53.13 109.65 1.59 Allowed Pre-proline 0 C--N 1.323 -0.577 0 O-C-N 125.041 1.463 . . . . 0.0 109.327 -179.973 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 28.6 Cg_endo -77.44 145.49 23.76 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.473 1.775 . . . . 0.0 110.696 -179.628 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.482 ' N ' ' CD2' ' A' ' 68' ' ' HIS . 0.4 OUTLIER -148.94 163.19 38.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.373 1.046 . . . . 0.0 109.697 -179.636 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 1.7 t . . . . . 0 C--N 1.326 -0.441 0 O-C-N 124.606 1.191 . . . . 0.0 108.878 179.468 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 57.3 m . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -136.27 76.67 49.89 Favored Pre-proline 0 C--N 1.326 -0.425 0 O-C-N 124.516 1.135 . . . . 0.0 111.126 179.886 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 10.4 Cg_endo -67.65 -17.62 48.0 Favored 'Trans proline' 0 C--N 1.365 1.414 0 O-C-N 124.038 1.546 . . . . 0.0 112.429 -179.13 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -78.15 5.85 9.27 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.16 0.913 . . . . 0.0 112.543 -179.344 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 11.0 t -103.16 38.49 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.004 0.815 . . . . 0.0 109.697 -179.748 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 53.6 t -102.24 134.65 42.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.426 1.079 . . . . 0.0 109.127 179.832 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 99.83 -25.55 27.84 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.461 1.101 . . . . 0.0 110.702 -179.758 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.3 mptt -72.05 164.55 25.95 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 179.773 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -108.71 168.48 9.31 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.405 1.065 . . . . 0.0 110.018 -179.466 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.3 t -45.91 -59.8 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.519 0 O-C-N 124.014 0.821 . . . . 0.0 112.532 -179.502 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -56.44 -35.86 68.34 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.008 0.817 . . . . 0.0 110.534 -179.208 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.5 -52.4 61.43 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.284 0.99 . . . . 0.0 110.198 -179.832 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.91 -2.41 15.01 Favored 'General case' 0 N--CA 1.452 -0.351 0 O-C-N 124.589 1.181 . . . . 0.0 113.253 -179.634 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.3 tpm_? -82.91 -46.42 12.98 Favored 'General case' 0 C--N 1.321 -0.657 0 O-C-N 124.631 1.207 . . . . 0.0 109.627 179.752 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -69.86 -27.5 64.89 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 114.668 -1.151 . . . . 0.0 110.105 179.691 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.408 ' CD1' ' C ' ' A' ' 24' ' ' TYR . 7.7 t80 -65.07 -51.74 59.69 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.547 1.154 . . . . 0.0 111.004 179.993 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 -67.8 -36.59 80.7 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.647 1.217 . . . . 0.0 110.888 -179.938 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 18.4 m -57.01 -30.73 64.43 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.186 0.929 . . . . 0.0 110.977 179.856 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 26.4 mt -86.31 -49.14 7.89 Favored 'General case' 0 C--O 1.238 0.494 0 N-CA-C 114.713 1.375 . . . . 0.0 114.713 -177.798 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 4.9 m170 -92.4 -52.37 4.7 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 114.08 1.141 . . . . 0.0 114.08 -177.48 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 49.7 m-85 -118.31 53.15 1.68 Allowed Pre-proline 0 N--CA 1.45 -0.44 0 N-CA-C 114.82 1.415 . . . . 0.0 114.82 -178.187 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 20.0 Cg_endo -67.29 -8.02 20.76 Favored 'Trans proline' 0 C--N 1.358 1.078 0 O-C-N 123.913 1.48 . . . . 0.0 112.536 179.744 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -96.28 26.32 4.37 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.167 0.917 . . . . 0.0 113.124 -179.03 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -124.32 142.63 51.11 Favored 'General case' 0 CA--C 1.545 0.769 0 O-C-N 124.036 0.835 . . . . 0.0 108.948 179.597 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -86.4 97.43 10.45 Favored 'General case' 0 C--N 1.323 -0.578 0 O-C-N 124.922 1.389 . . . . 0.0 108.015 177.941 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.2 t -85.31 141.92 13.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.695 1.247 . . . . 0.0 111.204 -178.938 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 2.3 m-30 -117.16 154.02 31.81 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 114.936 -1.029 . . . . 0.0 110.431 179.156 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -135.06 106.11 6.65 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.709 1.256 . . . . 0.0 110.759 179.717 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.486 ' CB ' ' CD ' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -146.0 179.77 1.1 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.36 1.038 . . . . 0.0 109.081 -179.898 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.486 ' CD ' ' CB ' ' A' ' 37' ' ' LEU . 9.4 Cg_endo . . . . . 0 C--N 1.359 1.082 0 O-C-N 124.555 1.818 . . . . 0.0 110.75 179.529 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 57.2 m-85 . . . . . 0 CA--C 1.538 0.512 0 N-CA-C 114.123 1.157 . . . . 0.0 114.123 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 46.6 p-10 -93.45 -9.43 38.55 Favored 'General case' 0 C--N 1.323 -0.565 0 O-C-N 124.701 1.251 . . . . 0.0 112.422 -178.423 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 12.3 ttm180 -94.36 122.35 36.83 Favored 'General case' 0 C--N 1.323 -0.584 0 O-C-N 124.024 0.827 . . . . 0.0 110.318 -179.278 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 48.5 t -104.19 119.8 53.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 O-C-N 124.335 1.022 . . . . 0.0 110.088 -179.94 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 25.8 mtm-85 -88.72 120.62 30.28 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.121 -0.945 . . . . 0.0 111.197 179.807 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 10.8 t -113.1 144.99 19.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.267 0.98 . . . . 0.0 109.182 179.959 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -123.68 140.86 52.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.552 1.157 . . . . 0.0 111.242 -179.819 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 11.3 p90 -146.48 169.56 18.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 110.405 -179.962 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -94.14 137.77 22.79 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.212 0.945 . . . . 0.0 110.239 -179.34 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 26.5 Cg_endo -79.1 -17.21 11.99 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.307 1.688 . . . . 0.0 111.71 179.511 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -51.53 -28.09 20.24 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.356 1.035 . . . . 0.0 110.877 179.97 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -160.58 -72.12 0.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.424 0.72 . . . . 0.0 110.362 179.601 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 159.16 82.76 0.0 OUTLIER 'General case' 0 CA--C 1.543 0.698 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 178.219 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 40.3 t -142.41 158.67 19.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 O-C-N 124.582 1.176 . . . . 0.0 109.391 -179.686 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 55.9 t -101.5 117.86 47.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.365 1.041 . . . . 0.0 108.976 179.686 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -128.26 27.58 5.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.816 1.322 . . . . 0.0 109.427 -179.819 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 93.0 m-70 -148.51 125.2 11.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.412 179.793 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 78.3 t -53.29 109.67 1.61 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.621 1.2 . . . . 0.0 109.444 -179.993 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_endo -80.76 115.95 3.13 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.508 1.794 . . . . 0.0 110.748 179.669 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 7.2 p-80 -130.15 162.62 28.44 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.277 0.986 . . . . 0.0 110.168 -179.901 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 37.1 t . . . . . 0 C--N 1.326 -0.414 0 O-C-N 124.441 1.088 . . . . 0.0 109.138 179.892 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.423 ' C ' ' CD1' ' A' ' 10' ' ' PHE . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 . . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.423 ' CD1' ' C ' ' A' ' 9' ' ' SER . 0.5 OUTLIER -129.73 76.25 78.66 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.6 1.188 . . . . 0.0 111.456 179.986 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 11.8 Cg_endo -67.29 -44.04 5.34 Favored 'Trans proline' 0 C--N 1.367 1.511 0 O-C-N 123.701 1.369 . . . . 0.0 113.566 -178.822 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.33 -15.37 47.77 Favored 'General case' 0 N--CA 1.448 -0.544 0 O-C-N 124.33 1.019 . . . . 0.0 110.778 -179.759 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 17.3 t -90.88 45.96 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.377 1.048 . . . . 0.0 110.018 -179.552 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 99.0 t -127.9 145.85 34.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.352 1.033 . . . . 0.0 108.87 179.576 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 99.34 -21.54 45.03 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.402 1.064 . . . . 0.0 110.901 -179.485 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.9 mttt -73.01 -157.79 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.251 -1.018 . . . . 0.0 108.251 179.71 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -131.42 161.05 33.36 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.434 1.084 . . . . 0.0 110.172 179.712 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 44.1 t -47.61 -48.87 10.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.547 1.154 . . . . 0.0 112.369 -179.388 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -54.95 -42.09 71.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.064 0.852 . . . . 0.0 112.669 -178.593 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 20.6 mm-40 -62.16 -55.04 32.63 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.321 1.013 . . . . 0.0 109.799 -179.769 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.43 -0.34 12.28 Favored 'General case' 0 C--N 1.327 -0.374 0 O-C-N 124.783 1.302 . . . . 0.0 113.282 -179.344 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 19.9 tpp85 -82.4 -46.66 13.23 Favored 'General case' 0 C--N 1.322 -0.592 0 O-C-N 124.522 1.139 . . . . 0.0 109.608 -179.981 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -75.38 -25.39 57.62 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 114.688 -1.142 . . . . 0.0 110.733 -179.89 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 59.0 t80 -75.45 -49.29 19.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.404 1.065 . . . . 0.0 112.721 -179.259 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 11.2 m-30 -71.85 -21.33 61.69 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.345 1.028 . . . . 0.0 111.633 -179.432 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 4.3 m -78.74 -34.89 45.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.366 1.041 . . . . 0.0 112.428 -179.288 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 17.2 mt -89.81 -46.99 8.19 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 113.637 0.977 . . . . 0.0 113.637 -178.26 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 16.9 m80 -86.67 -33.7 19.99 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.134 0.896 . . . . 0.0 113.009 -177.887 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.477 ' N ' ' CD1' ' A' ' 29' ' ' TYR . 11.9 m-85 -119.27 52.48 1.91 Allowed Pre-proline 0 C--N 1.323 -0.548 0 N-CA-C 113.709 1.003 . . . . 0.0 113.709 -178.865 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.412 ' CD ' ' N ' ' A' ' 29' ' ' TYR . 19.7 Cg_endo -65.92 -21.17 57.53 Favored 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 123.997 1.525 . . . . 0.0 114.003 -178.997 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 8.4 pm0 -89.98 15.2 10.45 Favored 'General case' 0 N--CA 1.451 -0.416 0 O-C-N 124.021 0.825 . . . . 0.0 112.67 -178.838 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . 0.256 1.1 m-30 -123.12 132.67 54.17 Favored 'General case' 0 C--N 1.322 -0.599 0 O-C-N 124.223 0.952 . . . . 0.0 109.747 179.682 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 -88.38 96.06 10.44 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.456 1.098 . . . . 0.0 108.369 178.466 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.7 t -85.84 149.35 4.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.604 1.19 . . . . 0.0 110.504 -179.303 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 4.4 m-30 -134.34 156.96 47.56 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 115.009 -0.996 . . . . 0.0 109.991 179.181 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 34.3 m-85 -136.71 99.77 4.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.913 1.383 . . . . 0.0 110.706 179.794 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -123.51 168.61 12.0 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 109.089 -179.911 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 22.9 Cg_endo . . . . . 0 C--N 1.359 1.111 0 O-C-N 124.458 1.767 . . . . 0.0 111.566 -179.493 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 81.2 m-85 . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 113.359 0.874 . . . . 0.0 113.359 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.4 p-10 -89.18 -9.71 49.85 Favored 'General case' 0 C--N 1.323 -0.56 0 O-C-N 124.572 1.17 . . . . 0.0 111.909 179.676 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 6.5 ttm180 -110.32 125.41 53.14 Favored 'General case' 0 C--N 1.321 -0.634 0 O-C-N 124.058 0.849 . . . . 0.0 109.84 -179.276 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.433 ' CG2' ' CG2' ' A' ' 69' ' ' VAL . 40.1 t -101.32 143.93 13.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.473 1.108 . . . . 0.0 109.544 179.95 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 3.2 mtt180 -118.18 97.04 5.59 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.386 1.054 . . . . 0.0 109.677 179.696 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 15.8 t -91.72 140.59 15.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.753 1.283 . . . . 0.0 109.358 -179.864 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 21.6 m-30 -117.86 139.04 51.66 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.604 1.19 . . . . 0.0 110.763 179.745 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 18.6 p90 -148.33 166.07 29.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 110.642 -179.769 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -101.92 126.5 33.63 Favored Pre-proline 0 C--N 1.324 -0.503 0 CA-C-N 114.91 -1.041 . . . . 0.0 108.758 179.891 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 4.1 Cg_exo -65.11 -15.6 51.1 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.563 1.823 . . . . 0.0 111.865 -179.596 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -51.36 -56.91 12.95 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.285 0.991 . . . . 0.0 111.624 -179.786 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 9.3 t -134.27 25.45 3.84 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.533 0.784 . . . . 0.0 110.245 -179.694 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 46.58 43.35 12.35 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 115.375 -0.83 . . . . 0.0 111.27 179.633 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 7.1 t -110.53 143.67 20.06 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.356 0 CA-C-N 114.802 -1.09 . . . . 0.0 110.523 179.965 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 94.2 t -85.38 142.63 12.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 114.748 -1.114 . . . . 0.0 109.638 179.935 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -143.57 25.36 1.67 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.134 . . . . 0.0 110.042 -179.984 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 97.8 m-70 -148.31 124.58 10.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.371 1.044 . . . . 0.0 109.506 179.755 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 60.3 t -56.46 110.72 2.55 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.514 1.134 . . . . 0.0 109.912 -179.928 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 41.1 Cg_endo -82.47 86.28 1.53 Allowed 'Trans proline' 0 C--N 1.358 1.069 0 O-C-N 124.455 1.766 . . . . 0.0 110.681 179.439 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -90.23 162.26 15.31 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.305 1.003 . . . . 0.0 109.973 -179.838 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.433 ' CG2' ' CG2' ' A' ' 52' ' ' VAL . 1.5 t . . . . . 0 C--N 1.326 -0.445 0 O-C-N 124.518 1.136 . . . . 0.0 109.384 179.957 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 94.9 p . . . . . 0 N--CA 1.453 -0.276 0 CA-C-O 120.613 0.244 . . . . 0.0 110.363 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -123.0 99.74 40.76 Favored Pre-proline 0 C--N 1.327 -0.411 0 O-C-N 124.382 1.052 . . . . 0.0 110.934 179.636 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_endo -76.97 1.22 8.88 Favored 'Trans proline' 0 C--N 1.364 1.358 0 O-C-N 124.143 1.602 . . . . 0.0 112.863 -179.599 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -71.2 -22.08 62.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.094 0.871 . . . . 0.0 110.926 -179.749 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 10.8 p -106.64 42.79 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.441 1.088 . . . . 0.0 110.052 -179.666 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 5.0 t -106.03 113.16 42.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 109.101 179.603 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 116.4 -19.2 13.14 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.467 1.104 . . . . 0.0 111.151 -179.393 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -73.68 -158.83 0.06 Allowed 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 179.903 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -131.62 165.95 22.52 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.458 1.099 . . . . 0.0 109.775 179.945 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 35.8 t -47.48 -48.29 10.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 123.974 0.796 . . . . 0.0 112.522 -179.443 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -54.44 -41.72 69.73 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 113.015 0.746 . . . . 0.0 113.015 -178.444 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 26.3 mm-40 -63.74 -51.32 65.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.152 0.908 . . . . 0.0 110.346 -179.44 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.67 -4.36 15.35 Favored 'General case' 0 N--CA 1.453 -0.306 0 O-C-N 124.685 1.24 . . . . 0.0 113.302 -179.34 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 5.6 tpp85 -83.1 -46.49 12.72 Favored 'General case' 0 C--N 1.321 -0.631 0 O-C-N 124.782 1.301 . . . . 0.0 109.426 179.82 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -75.08 -30.81 61.04 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 114.811 -1.086 . . . . 0.0 111.228 -179.73 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 18.0 t80 -67.94 -48.72 65.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.313 1.008 . . . . 0.0 111.977 -179.545 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 18.4 m-85 -73.04 -18.3 61.34 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.564 1.165 . . . . 0.0 111.641 -179.596 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.4 m -74.23 -34.48 63.68 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.211 0.945 . . . . 0.0 110.995 179.809 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 16.5 mt -86.9 -44.93 11.29 Favored 'General case' 0 N--CA 1.448 -0.535 0 N-CA-C 114.516 1.302 . . . . 0.0 114.516 -178.051 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 6.1 m170 -80.93 -42.39 21.41 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.083 0.864 . . . . 0.0 112.329 -178.722 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 47.4 m-85 -120.45 75.29 24.6 Favored Pre-proline 0 C--N 1.323 -0.561 0 N-CA-C 114.278 1.214 . . . . 0.0 114.278 -178.883 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_endo -81.4 11.29 3.11 Favored 'Trans proline' 0 C--N 1.358 1.064 0 O-C-N 123.792 1.417 . . . . 0.0 112.734 179.561 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -127.85 22.49 6.28 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.311 1.007 . . . . 0.0 110.692 -179.552 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . 0.253 4.0 m-85 -125.25 128.73 48.75 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.036 -0.984 . . . . 0.0 110.56 -179.392 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -90.4 98.94 12.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.296 0.997 . . . . 0.0 108.358 178.533 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 4.2 t -85.02 151.1 3.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 O-C-N 124.539 1.15 . . . . 0.0 111.196 -179.084 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -131.0 147.74 52.67 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 114.896 -1.047 . . . . 0.0 110.726 179.352 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 16.2 m-85 -129.2 121.58 27.96 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.588 1.18 . . . . 0.0 110.927 -179.957 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -146.05 170.51 7.81 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.264 0.977 . . . . 0.0 109.076 179.916 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 20.3 Cg_endo . . . . . 0 C--N 1.36 1.162 0 O-C-N 124.534 1.808 . . . . 0.0 110.804 179.834 . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 15.1 m-30 . . . . . 0 CA--C 1.534 0.339 0 CA-C-O 120.476 0.179 . . . . 0.0 110.619 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -92.0 -26.73 18.23 Favored 'General case' 0 C--O 1.238 0.454 0 O-C-N 124.605 1.191 . . . . 0.0 113.864 -178.54 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 7.1 ttm180 -101.51 130.53 47.79 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 123.801 0.688 . . . . 0.0 110.809 -179.246 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.498 ' CG2' ' CG2' ' A' ' 69' ' ' VAL . 37.7 t -116.55 146.77 20.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.562 1.164 . . . . 0.0 108.906 179.443 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 3.0 mtt85 -117.23 138.96 51.37 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.63 1.206 . . . . 0.0 110.018 -179.975 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 40.9 t -128.37 151.32 35.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.617 1.198 . . . . 0.0 109.12 -179.896 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -123.89 138.36 54.5 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.638 1.211 . . . . 0.0 110.869 179.763 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 3.2 p90 -143.4 164.23 30.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.619 1.199 . . . . 0.0 110.876 179.64 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -86.82 112.78 49.51 Favored Pre-proline 0 C--N 1.323 -0.55 0 N-CA-C 107.808 -1.182 . . . . 0.0 107.808 179.287 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 8.5 Cg_endo -54.16 -15.1 7.32 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.342 1.706 . . . . 0.0 113.652 -178.763 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -75.68 -71.12 1.19 Allowed Glycine 0 CA--C 1.527 0.806 0 N-CA-C 115.948 1.139 . . . . 0.0 115.948 -178.549 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 13.9 t -101.04 16.53 25.07 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 112.224 0.453 . . . . 0.0 112.224 -178.66 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 50.88 46.37 26.26 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 115.421 -0.809 . . . . 0.0 111.399 178.815 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 40.2 t -118.34 134.84 60.67 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.459 0 O-C-N 124.281 0.988 . . . . 0.0 112.043 -179.982 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 9.4 t -75.9 113.13 14.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 114.726 -1.125 . . . . 0.0 109.053 179.087 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 20.8 p30 -106.22 -18.18 14.08 Favored 'General case' 0 N--CA 1.449 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 111.682 -179.324 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 3.9 m-70 -110.44 147.48 33.96 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.131 0.894 . . . . 0.0 110.753 -179.67 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 3.4 t -73.2 117.31 59.09 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.361 1.038 . . . . 0.0 109.069 179.72 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 21.8 Cg_endo -69.8 151.73 68.92 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.536 1.808 . . . . 0.0 110.788 -179.724 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 1.7 p-80 -144.03 163.31 33.87 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.614 1.196 . . . . 0.0 109.753 -179.819 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.498 ' CG2' ' CG2' ' A' ' 52' ' ' VAL . 17.5 t . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.569 1.168 . . . . 0.0 108.967 179.423 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 29.8 p . . . . . 0 CA--C 1.53 0.173 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -134.96 45.22 2.55 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.311 1.007 . . . . 0.0 110.303 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 14.1 m-85 -120.26 -30.89 4.51 Favored 'General case' 0 N--CA 1.45 -0.428 0 O-C-N 124.574 1.171 . . . . 0.0 111.973 -179.731 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 77.82 7.98 87.32 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.356 1.035 . . . . 0.0 112.817 -179.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.2 t 52.36 -106.85 0.3 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.156 0.563 . . . . 0.0 110.517 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -156.23 153.35 29.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 123.787 0.679 . . . . 0.0 110.703 -179.732 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER 61.96 95.41 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.425 1.078 . . . . 0.0 111.22 179.088 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 12.2 mttt -72.33 105.1 3.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.365 1.041 . . . . 0.0 108.936 179.548 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.9 p -89.6 161.48 16.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 110.382 -179.727 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -128.54 86.37 57.89 Favored Pre-proline 0 N--CA 1.451 -0.411 0 O-C-N 124.398 1.061 . . . . 0.0 111.53 179.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 4.4 Cg_exo -61.81 -56.79 0.67 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.391 1.732 . . . . 0.0 111.579 -179.34 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.9 tm-20 -51.47 -22.15 2.89 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.106 -0.952 . . . . 0.0 111.108 -179.646 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 6.1 t -98.32 49.32 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.094 . . . . 0.0 110.067 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 46.9 t -134.47 110.76 13.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.422 1.076 . . . . 0.0 109.73 179.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 125.52 -19.69 6.64 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.444 1.09 . . . . 0.0 111.801 179.753 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 8.2 mttt -78.37 161.39 27.2 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.492 0.76 . . . . 0.0 109.226 -179.169 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 29.4 p -89.56 163.36 15.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 123.988 0.805 . . . . 0.0 110.782 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 12.9 t -48.1 -57.97 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 O-C-N 124.293 0.995 . . . . 0.0 111.918 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -54.81 -37.75 66.51 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.233 -0.894 . . . . 0.0 111.174 -178.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 7.3 mm100 -62.7 -54.56 37.48 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.543 1.152 . . . . 0.0 109.842 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.09 -0.41 13.94 Favored 'General case' 0 C--N 1.328 -0.358 0 O-C-N 124.753 1.283 . . . . 0.0 113.018 -179.687 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.1 ttm180 -81.63 -47.67 12.72 Favored 'General case' 0 C--N 1.322 -0.624 0 O-C-N 124.558 1.161 . . . . 0.0 109.737 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -76.65 -24.62 53.27 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 114.786 -1.097 . . . . 0.0 110.145 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 27.1 t80 -65.52 -49.9 67.25 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.429 1.08 . . . . 0.0 111.506 -179.628 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -72.45 -23.79 61.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 111.05 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 22.0 m -75.19 -31.75 61.04 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.228 0.955 . . . . 0.0 111.685 -179.706 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 17.0 mt -87.86 -45.08 10.59 Favored 'General case' 0 N--CA 1.45 -0.438 0 N-CA-C 113.841 1.052 . . . . 0.0 113.841 -178.224 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 29.8 m170 -84.58 -42.81 15.08 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.103 0.877 . . . . 0.0 113.267 -178.208 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 37.9 m-85 -121.48 73.51 30.58 Favored Pre-proline 0 C--N 1.323 -0.566 0 N-CA-C 114.878 1.436 . . . . 0.0 114.878 -178.374 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 6.6 Cg_endo -72.63 0.86 6.97 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 123.714 1.376 . . . . 0.0 113.343 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -116.09 21.21 13.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.296 0.997 . . . . 0.0 110.741 179.626 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . 0.26 1.8 m-85 -124.44 118.27 26.28 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.035 -0.984 . . . . 0.0 109.959 179.848 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -85.3 90.63 7.96 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.378 1.049 . . . . 0.0 108.328 178.164 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.6 t -85.68 150.79 3.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 114.62 -1.173 . . . . 0.0 110.161 -179.302 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 54.3 m-85 -127.05 154.11 45.09 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.265 0.978 . . . . 0.0 110.733 179.308 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 41.9 m-85 -140.25 97.34 3.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.105 . . . . 0.0 111.143 -179.699 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 54.8 mt -133.29 161.0 66.42 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.418 1.074 . . . . 0.0 109.184 179.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -63.4 157.3 51.23 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.613 1.849 . . . . 0.0 110.82 -179.485 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -59.98 158.15 11.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 110.649 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 69.35 3.54 39.56 Favored Glycine 0 CA--C 1.528 0.903 0 O-C-N 124.414 1.072 . . . . 0.0 113.21 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.451 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 0.5 OUTLIER -87.79 -51.59 0.41 Allowed Pre-proline 0 C--O 1.236 0.351 0 O-C-N 124.244 0.614 . . . . 0.0 112.323 178.397 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.494 ' CG ' ' CE1' ' A' ' 55' ' ' PHE . 14.0 Cg_endo -74.33 157.24 45.73 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 123.965 1.508 . . . . 0.0 111.426 -179.497 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -114.79 -158.37 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.436 1.085 . . . . 0.0 109.092 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.1 p -79.65 97.11 6.41 Favored 'General case' 0 N--CA 1.45 -0.446 0 O-C-N 125.233 1.583 . . . . 0.0 110.577 178.684 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 11.8 mt -123.63 77.77 1.54 Allowed 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 108.609 -0.886 . . . . 0.0 108.609 179.704 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -93.11 -174.18 3.48 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 114.477 -1.238 . . . . 0.0 110.915 -178.589 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 55.32 49.25 17.44 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.075 -0.966 . . . . 0.0 111.513 178.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 18.8 mmt-85 -133.84 105.17 6.64 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 114.875 -1.057 . . . . 0.0 108.925 179.12 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 12.9 m-30 -82.45 -30.71 29.84 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.823 1.327 . . . . 0.0 111.948 -179.173 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -101.54 -12.76 18.25 Favored 'General case' 0 N--CA 1.447 -0.592 0 N-CA-C 115.047 1.499 . . . . 0.0 115.047 -177.809 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 3.1 ttm180 -106.86 120.32 41.71 Favored 'General case' 0 C--N 1.323 -0.583 0 O-C-N 123.843 0.715 . . . . 0.0 111.985 -178.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -113.36 137.81 45.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.266 0.979 . . . . 0.0 108.755 179.086 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -115.94 106.19 13.51 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.682 1.239 . . . . 0.0 109.719 179.748 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 9.5 t -97.76 151.17 4.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.495 1.122 . . . . 0.0 109.578 -179.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.494 ' CE1' ' CG ' ' A' ' 42' ' ' PRO . 5.5 m-85 -123.36 137.69 54.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.632 1.207 . . . . 0.0 110.522 179.513 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 16.0 p90 -132.65 166.2 22.71 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.664 1.228 . . . . 0.0 110.496 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -98.51 130.41 28.14 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 0.0 110.042 -179.403 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -76.01 4.09 5.56 Favored 'Trans proline' 0 C--N 1.362 1.241 0 O-C-N 124.492 1.785 . . . . 0.0 112.689 179.531 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -77.67 -59.85 2.93 Favored Glycine 0 CA--C 1.532 1.118 0 N-CA-C 110.727 -0.949 . . . . 0.0 110.727 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 11.1 t -126.42 22.34 7.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.58 0.812 . . . . 0.0 110.672 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 8.0 m-20 50.99 37.88 18.9 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 115.116 -0.947 . . . . 0.0 111.924 178.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 25.1 t -109.78 146.2 15.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.287 0.992 . . . . 0.0 109.529 179.425 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 48.8 t -88.27 107.15 17.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 114.783 -1.099 . . . . 0.0 109.195 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 20.7 p30 -102.6 -19.65 14.75 Favored 'General case' 0 N--CA 1.452 -0.361 0 O-C-N 124.456 1.098 . . . . 0.0 110.823 -179.753 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 12.0 m80 -93.9 132.7 38.08 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.192 0.933 . . . . 0.0 109.597 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 40.5 t -66.63 115.11 21.12 Favored Pre-proline 0 C--N 1.323 -0.561 0 O-C-N 124.661 1.226 . . . . 0.0 109.071 179.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -73.92 135.89 21.98 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.479 1.778 . . . . 0.0 111.051 -179.607 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 9.1 p80 -139.96 160.98 38.7 Favored 'General case' 0 C--N 1.327 -0.377 0 O-C-N 124.53 1.144 . . . . 0.0 110.05 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 1.2 t -87.84 141.47 14.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.797 1.31 . . . . 0.0 108.821 179.288 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.092 0 O-C-N 124.356 1.035 . . . . 0.0 110.982 -179.801 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 39.4 p . . . . . 0 CA--C 1.53 0.177 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -114.96 24.33 11.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.306 1.003 . . . . 0.0 110.193 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -136.04 38.7 2.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 110.651 179.745 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -92.21 10.14 74.9 Favored Glycine 0 CA--C 1.529 0.933 0 CA-C-N 114.777 -1.101 . . . . 0.0 112.816 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.8 t -50.9 159.96 0.51 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.366 0.686 . . . . 0.0 110.43 -179.544 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 71.11 149.3 0.09 Allowed 'General case' 0 CA--C 1.536 0.419 0 O-C-N 124.536 1.147 . . . . 0.0 109.765 -179.394 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.03 -172.42 0.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.615 1.197 . . . . 0.0 109.267 -179.85 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.0 mptp? -59.0 120.43 9.09 Favored 'General case' 0 C--N 1.327 -0.394 0 O-C-N 124.501 1.126 . . . . 0.0 108.875 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 68.0 p -141.38 154.41 45.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.745 1.278 . . . . 0.0 110.268 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.446 ' CD1' ' N ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -129.28 100.88 19.68 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 110.85 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 13.3 Cg_endo -71.23 -9.85 26.17 Favored 'Trans proline' 0 C--N 1.363 1.294 0 O-C-N 124.277 1.672 . . . . 0.0 112.588 -179.194 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -71.64 -5.33 32.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.133 0.896 . . . . 0.0 112.415 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -118.95 35.66 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.051 0.844 . . . . 0.0 109.61 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 37.7 t -102.43 126.49 56.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.46 1.1 . . . . 0.0 109.327 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 105.2 -20.77 37.12 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.454 1.096 . . . . 0.0 110.957 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 23.0 mttm -78.97 161.09 26.89 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 -179.409 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 49.9 p -90.04 168.62 11.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.054 0.846 . . . . 0.0 110.21 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 42.3 t -48.09 -60.79 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.562 1.164 . . . . 0.0 111.781 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -50.27 -36.92 33.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.213 0.946 . . . . 0.0 111.223 -179.11 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 17.2 mm-40 -65.02 -50.49 66.05 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.518 1.136 . . . . 0.0 110.155 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.77 -3.03 16.69 Favored 'General case' 0 C--N 1.328 -0.335 0 O-C-N 124.668 1.23 . . . . 0.0 112.944 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 18.1 tpp85 -82.88 -45.87 13.69 Favored 'General case' 0 C--N 1.321 -0.634 0 O-C-N 124.624 1.202 . . . . 0.0 109.612 179.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.8 mp0 -73.22 -31.99 64.5 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 114.794 -1.094 . . . . 0.0 111.228 -179.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 13.9 t80 -64.25 -49.69 70.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.443 1.089 . . . . 0.0 110.873 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 -73.83 -16.82 61.13 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.464 1.102 . . . . 0.0 111.652 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.3 m -76.59 -37.26 56.79 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.151 0.907 . . . . 0.0 111.292 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 10.9 mt -83.49 -44.62 14.51 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 113.663 0.986 . . . . 0.0 113.663 -178.469 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 24.5 m170 -81.34 -44.37 17.71 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.243 0.964 . . . . 0.0 112.226 -178.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 39.3 m-85 -124.36 64.75 38.85 Favored Pre-proline 0 C--O 1.241 0.648 0 N-CA-C 114.674 1.361 . . . . 0.0 114.674 -178.44 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 10.9 Cg_endo -71.18 -1.15 9.14 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 123.524 1.276 . . . . 0.0 113.171 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -107.23 18.05 22.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.275 0.985 . . . . 0.0 111.299 179.856 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . 0.256 1.1 m-30 -123.99 133.63 53.64 Favored 'General case' 0 C--N 1.323 -0.57 0 O-C-N 124.231 0.957 . . . . 0.0 109.574 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -91.07 107.53 19.27 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.4 1.063 . . . . 0.0 108.765 179.281 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 3.7 t -85.95 150.3 3.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.394 1.059 . . . . 0.0 110.687 -179.322 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 33.4 m-85 -146.23 132.44 19.43 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 114.761 -1.109 . . . . 0.0 110.516 179.519 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 50.2 m-85 -106.66 141.01 38.62 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.461 1.101 . . . . 0.0 111.564 -179.694 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 96.9 mt -143.56 159.96 52.7 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.489 1.118 . . . . 0.0 109.038 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_endo -81.6 147.92 15.82 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.402 1.738 . . . . 0.0 111.589 -179.482 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.4 ' CG ' ' N ' ' A' ' 40' ' ' GLY . 77.2 tt0 -53.32 164.66 0.44 Allowed 'General case' 0 C--O 1.236 0.349 0 O-C-N 124.476 1.11 . . . . 0.0 109.599 179.438 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.4 ' N ' ' CG ' ' A' ' 39' ' ' GLU . . . 92.48 25.75 20.04 Favored Glycine 0 CA--C 1.527 0.819 0 N-CA-C 116.57 1.388 . . . . 0.0 116.57 178.682 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -85.2 161.96 50.49 Favored Pre-proline 0 C--N 1.325 -0.469 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 177.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo -54.06 -90.05 0.0 OUTLIER 'Trans proline' 0 C--N 1.358 1.069 0 O-C-N 124.307 1.688 . . . . 0.0 113.278 -178.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -141.34 167.9 16.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.242 0.964 . . . . 0.0 109.134 -178.881 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . 0.258 6.3 p -72.94 91.77 1.57 Allowed 'General case' 0 N--CA 1.454 -0.27 0 O-C-N 125.006 1.441 . . . . 0.0 110.211 178.064 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 27.1 mt -100.54 90.97 4.46 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 114.98 -1.009 . . . . 0.0 109.036 -179.405 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -50.33 160.69 0.36 Allowed 'General case' 0 N--CA 1.447 -0.624 0 O-C-N 124.84 1.338 . . . . 0.0 111.08 -179.579 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -171.54 -80.0 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.377 0 O-C-N 124.403 1.064 . . . . 0.0 109.501 -179.808 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 3.8 mmm180 -84.03 120.01 25.63 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.242 0.964 . . . . 0.0 109.847 178.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 74.0 m-85 -77.02 -30.32 55.71 Favored 'General case' 0 C--N 1.329 -0.324 0 O-C-N 123.969 0.793 . . . . 0.0 112.024 -179.02 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.7 p-10 -90.95 -9.37 46.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 111.867 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 4.4 ttp180 -94.38 121.03 35.49 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 123.885 0.74 . . . . 0.0 109.991 -179.306 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 2.7 t -94.98 142.96 12.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.417 1.073 . . . . 0.0 109.393 179.73 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 27.4 mtt180 -120.1 129.82 54.36 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.491 1.12 . . . . 0.0 109.523 179.65 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 39.6 t -128.22 154.12 38.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.658 1.224 . . . . 0.0 110.111 -179.547 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 15.4 m-85 -120.72 139.77 52.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 110.376 179.395 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 16.9 p90 -145.21 171.16 14.94 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.727 1.267 . . . . 0.0 110.645 -179.624 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -92.21 116.5 66.59 Favored Pre-proline 0 C--N 1.323 -0.554 0 CA-C-N 114.933 -1.03 . . . . 0.0 108.653 -179.772 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 11.5 Cg_endo -61.0 -6.36 6.11 Favored 'Trans proline' 0 C--N 1.362 1.254 0 O-C-N 124.074 1.565 . . . . 0.0 114.684 -178.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -93.65 -85.31 1.6 Allowed Glycine 0 CA--C 1.528 0.86 0 O-C-N 123.771 0.67 . . . . 0.0 114.288 -178.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 8.5 t -67.62 -21.09 65.41 Favored 'General case' 0 C--N 1.327 -0.376 0 O-C-N 124.049 0.499 . . . . 0.0 111.465 -179.423 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 8.9 m-20 74.62 69.2 0.09 Allowed 'General case' 0 N--CA 1.45 -0.456 0 O-C-N 124.416 1.072 . . . . 0.0 109.88 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 73.5 t -145.06 146.61 19.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 O-C-N 124.335 1.022 . . . . 0.0 109.076 179.694 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 58.6 t -87.58 128.5 40.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.505 1.128 . . . . 0.0 108.838 179.349 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -130.92 23.81 4.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.897 1.373 . . . . 0.0 110.156 -179.764 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 53.6 m-70 -145.78 124.63 12.67 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.45 1.094 . . . . 0.0 109.396 179.734 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 15.0 t -56.72 112.32 4.37 Favored Pre-proline 0 C--N 1.324 -0.534 0 O-C-N 124.712 1.257 . . . . 0.0 108.736 179.401 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -70.46 154.47 64.96 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.562 1.822 . . . . 0.0 111.47 -179.186 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 3.3 p-80 -149.58 163.06 38.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.416 1.072 . . . . 0.0 109.749 -179.591 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -86.56 146.77 5.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.365 179.786 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.034 0 O-C-N 124.408 1.067 . . . . 0.0 110.938 179.992 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 35.0 p . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 110.432 -0.21 . . . . 0.0 110.432 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -133.89 160.26 38.22 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 0.0 110.258 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 56.06 -170.85 0.08 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 110.97 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 69.2 4.38 42.97 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.554 1.159 . . . . 0.0 112.831 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.7 t -158.78 138.6 11.95 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 124.222 0.601 . . . . 0.0 110.022 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 58.3 mt-10 -96.93 50.35 1.1 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 110.249 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -114.7 71.2 0.75 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 109.238 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 9.2 mmtt -53.14 111.34 0.67 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 109.778 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -148.3 138.64 22.7 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.466 1.103 . . . . 0.0 109.8 179.842 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -128.0 102.5 21.79 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.425 1.078 . . . . 0.0 111.084 -179.683 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_endo -78.35 7.38 4.15 Favored 'Trans proline' 0 C--N 1.361 1.235 0 O-C-N 124.199 1.631 . . . . 0.0 112.816 -179.617 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 43.0 tp10 -75.44 -23.23 56.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.036 0.835 . . . . 0.0 112.056 -179.109 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.6 p -84.58 -12.61 11.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.201 0.938 . . . . 0.0 111.439 -179.563 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 37.7 t -68.15 93.54 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 123.821 0.701 . . . . 0.0 109.403 179.728 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 140.61 -35.71 1.84 Allowed Glycine 0 CA--C 1.528 0.88 0 O-C-N 124.31 1.007 . . . . 0.0 112.34 179.744 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.4 -163.98 0.23 Allowed 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 -179.329 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -128.32 167.85 16.36 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.225 0.953 . . . . 0.0 109.635 -179.494 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 12.5 t -47.79 -52.21 6.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 123.73 0.644 . . . . 0.0 112.473 -179.542 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -48.75 -42.98 37.23 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.031 0.832 . . . . 0.0 111.545 -178.634 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 8.7 mm100 -66.45 -45.53 79.48 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.308 1.005 . . . . 0.0 109.75 179.78 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.14 -6.15 32.1 Favored 'General case' 0 N--CA 1.452 -0.34 0 O-C-N 124.835 1.334 . . . . 0.0 113.172 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.58 -47.29 12.28 Favored 'General case' 0 C--N 1.319 -0.753 0 O-C-N 124.93 1.394 . . . . 0.0 109.162 179.58 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -75.03 -24.7 58.36 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 114.675 -1.148 . . . . 0.0 110.248 179.751 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -73.7 -48.42 32.27 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.358 1.036 . . . . 0.0 111.552 -179.711 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -76.87 -23.89 52.61 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.341 1.025 . . . . 0.0 112.303 -179.19 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 3.3 m -77.72 -34.91 52.47 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.221 0.95 . . . . 0.0 112.091 -179.392 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 19.3 mt -82.77 -47.45 11.93 Favored 'General case' 0 N--CA 1.45 -0.427 0 N-CA-C 113.737 1.014 . . . . 0.0 113.737 -178.404 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 26.8 m80 -87.08 -33.76 19.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.054 0.846 . . . . 0.0 112.887 -178.026 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 36.0 m-85 -123.84 62.61 26.92 Favored Pre-proline 0 C--N 1.323 -0.566 0 N-CA-C 115.719 1.748 . . . . 0.0 115.719 -177.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -73.94 2.05 6.43 Favored 'Trans proline' 0 C--N 1.358 1.078 0 O-C-N 123.68 1.358 . . . . 0.0 113.075 179.192 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -111.39 13.23 21.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.23 0.956 . . . . 0.0 111.681 179.692 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . 0.261 0.3 OUTLIER -126.81 122.58 35.15 Favored 'General case' 0 C--N 1.322 -0.612 0 O-C-N 124.129 0.893 . . . . 0.0 109.208 179.956 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -86.87 103.88 15.69 Favored 'General case' 0 C--N 1.323 -0.566 0 O-C-N 124.451 1.094 . . . . 0.0 108.765 178.768 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.7 t -85.39 151.53 3.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.361 1.038 . . . . 0.0 109.896 -179.572 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -132.4 113.1 12.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.367 1.042 . . . . 0.0 110.713 179.502 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 50.0 m-85 -91.72 120.12 32.18 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.234 0.959 . . . . 0.0 111.013 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.4 mt -144.48 161.78 42.47 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.19 0.931 . . . . 0.0 109.172 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -75.05 154.72 42.46 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.554 1.818 . . . . 0.0 110.548 179.345 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -54.11 169.65 0.16 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.52 1.138 . . . . 0.0 111.101 -179.736 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 81.13 16.69 73.85 Favored Glycine 0 CA--C 1.529 0.906 0 O-C-N 124.509 1.131 . . . . 0.0 112.878 179.292 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -88.17 167.85 18.37 Favored Pre-proline 0 N--CA 1.453 -0.285 0 O-C-N 124.245 0.615 . . . . 0.0 109.687 178.037 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_endo -56.56 175.38 0.28 Allowed 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.503 1.791 . . . . 0.0 110.913 -179.68 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -94.51 -157.24 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.448 -0.548 0 O-C-N 124.327 1.017 . . . . 0.0 110.103 -179.866 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 21.4 p -96.02 42.23 1.09 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 113.853 -1.521 . . . . 0.0 109.169 179.498 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 19.0 mt -48.93 -49.83 38.31 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 113.747 -1.57 . . . . 0.0 110.522 -179.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -75.3 -162.78 0.2 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.594 1.184 . . . . 0.0 110.156 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 14.7 tp -139.68 89.44 2.32 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.29 0.994 . . . . 0.0 109.775 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 6.1 mmt-85 -127.81 88.16 2.73 Favored 'General case' 0 C--N 1.322 -0.591 0 O-C-N 124.538 1.149 . . . . 0.0 109.361 179.692 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 59.9 m-85 -71.22 -24.03 62.12 Favored 'General case' 0 C--N 1.328 -0.36 0 O-C-N 124.727 1.267 . . . . 0.0 110.879 -179.536 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -88.63 -10.59 48.11 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.592 1.182 . . . . 0.0 111.777 179.544 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 2.8 ttp180 -108.9 115.4 30.0 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 123.994 0.809 . . . . 0.0 110.312 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -95.86 144.84 9.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 O-C-N 124.482 1.114 . . . . 0.0 109.133 179.672 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 41.1 mtt180 -116.91 97.05 5.75 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.679 1.237 . . . . 0.0 109.878 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 82.7 t -91.46 145.07 7.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.647 1.217 . . . . 0.0 109.36 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -118.62 140.25 50.2 Favored 'General case' 0 CA--C 1.535 0.382 0 O-C-N 124.583 1.177 . . . . 0.0 110.569 179.584 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 3.4 p90 -145.83 175.9 10.07 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.436 1.085 . . . . 0.0 110.542 -179.682 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -82.08 137.55 46.27 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.323 1.014 . . . . 0.0 109.634 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_endo -52.13 -56.41 2.94 Favored 'Trans proline' 0 C--N 1.361 1.235 0 O-C-N 124.359 1.715 . . . . 0.0 114.284 -178.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -98.02 -44.43 2.62 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 117.302 1.681 . . . . 0.0 117.302 -177.421 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -69.28 -31.8 70.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.046 0.498 . . . . 0.0 111.15 -178.428 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 65.9 66.04 0.51 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.24 0.963 . . . . 0.0 110.573 179.276 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 97.8 t -142.27 131.93 23.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 O-C-N 124.403 1.065 . . . . 0.0 109.433 179.526 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 17.2 t -69.87 119.65 16.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 114.836 -1.074 . . . . 0.0 109.066 179.585 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -134.64 28.92 3.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.724 1.265 . . . . 0.0 109.426 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 36.9 m80 -148.35 123.97 10.45 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 114.899 -1.046 . . . . 0.0 109.163 179.576 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 5.3 t -65.57 113.35 11.39 Favored Pre-proline 0 C--N 1.323 -0.583 0 O-C-N 124.836 1.335 . . . . 0.0 109.259 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -83.97 156.75 13.39 Favored 'Trans proline' 0 C--N 1.358 1.057 0 O-C-N 124.384 1.728 . . . . 0.0 110.906 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 6.4 p-80 -148.25 162.48 39.4 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.301 1.0 . . . . 0.0 109.732 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.4 t -94.07 147.97 5.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.422 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 O-C-N 124.431 1.082 . . . . 0.0 110.996 179.993 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 82.7 p . . . . . 0 C--O 1.232 0.183 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -134.56 -155.49 0.66 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.245 0.966 . . . . 0.0 110.299 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 59.94 -156.68 0.34 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.455 1.097 . . . . 0.0 111.06 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 138.7 -6.08 3.19 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.427 1.08 . . . . 0.0 113.124 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 26.6 t 63.77 167.53 0.15 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.303 0.649 . . . . 0.0 110.753 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -130.25 137.43 50.01 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 114.904 -1.044 . . . . 0.0 110.334 -179.628 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -79.3 107.94 12.44 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.505 1.128 . . . . 0.0 109.353 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 11.0 mttm -71.75 93.98 1.34 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.43 1.081 . . . . 0.0 109.723 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -148.58 134.79 19.34 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.477 1.11 . . . . 0.0 110.013 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -129.73 92.22 38.1 Favored Pre-proline 0 C--N 1.326 -0.431 0 O-C-N 124.438 1.086 . . . . 0.0 111.44 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -80.1 2.23 8.61 Favored 'Trans proline' 0 C--N 1.367 1.53 0 O-C-N 123.75 1.395 . . . . 0.0 112.618 179.699 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -74.7 -26.82 60.09 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.059 0.849 . . . . 0.0 111.032 -179.588 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.6 p -92.03 41.86 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.919 -179.637 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.7 t -102.47 131.36 50.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.397 1.061 . . . . 0.0 109.096 179.774 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 105.89 -23.89 28.19 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.51 1.131 . . . . 0.0 111.469 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 66.1 mttt -76.19 161.06 29.11 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 108.691 -0.855 . . . . 0.0 108.691 -179.668 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 71.5 p -88.23 167.34 13.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.073 0.858 . . . . 0.0 110.554 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 17.0 t -48.42 -58.81 0.98 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.477 0 O-C-N 124.429 1.08 . . . . 0.0 111.772 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -53.02 -36.49 60.57 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.229 -0.896 . . . . 0.0 111.229 -179.054 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 24.9 mm-40 -64.71 -50.66 66.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.376 1.047 . . . . 0.0 110.349 -179.716 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.29 -3.45 17.25 Favored 'General case' 0 N--CA 1.452 -0.333 0 O-C-N 124.634 1.209 . . . . 0.0 112.958 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -82.9 -45.56 14.05 Favored 'General case' 0 C--N 1.321 -0.645 0 O-C-N 124.608 1.193 . . . . 0.0 109.682 179.832 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -71.92 -28.38 63.44 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 114.744 -1.116 . . . . 0.0 110.973 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 10.3 t80 -69.69 -49.01 57.53 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.522 1.139 . . . . 0.0 111.033 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 15.5 m-85 -73.93 -19.39 60.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.435 1.084 . . . . 0.0 111.401 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.3 m -75.67 -36.03 60.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.291 0.994 . . . . 0.0 111.342 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 10.8 mt -84.29 -45.76 12.49 Favored 'General case' 0 N--CA 1.448 -0.53 0 N-CA-C 113.504 0.927 . . . . 0.0 113.504 -178.423 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 -87.27 -41.56 13.59 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 113.614 0.968 . . . . 0.0 113.614 -177.778 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.4 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 8.8 m-30 -118.18 51.79 1.38 Allowed Pre-proline 0 C--N 1.324 -0.525 0 N-CA-C 115.12 1.526 . . . . 0.0 115.12 -178.279 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.4 ' CD ' ' N ' ' A' ' 29' ' ' TYR . 19.5 Cg_endo -66.35 -12.7 36.74 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 123.939 1.494 . . . . 0.0 112.803 -179.332 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -90.96 14.97 12.38 Favored 'General case' 0 N--CA 1.452 -0.36 0 O-C-N 124.197 0.936 . . . . 0.0 112.445 -178.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . 0.266 0.3 OUTLIER -128.75 138.77 52.29 Favored 'General case' 0 C--N 1.322 -0.61 0 O-C-N 124.199 0.937 . . . . 0.0 109.55 -179.49 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -89.56 111.22 22.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.599 1.187 . . . . 0.0 108.256 178.624 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 3.7 t -85.58 152.05 3.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.633 1.208 . . . . 0.0 110.095 -179.027 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.538 ' CE2' ' CD ' ' A' ' 51' ' ' ARG . 30.0 m-85 -147.97 108.93 4.23 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.025 -0.989 . . . . 0.0 110.804 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 31.6 m-85 -93.01 132.53 37.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.404 1.065 . . . . 0.0 111.383 -179.744 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -145.02 168.57 11.76 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.272 0.983 . . . . 0.0 108.884 179.677 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -74.54 155.72 45.15 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.583 1.833 . . . . 0.0 110.946 179.614 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.0 140.22 45.31 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.431 1.082 . . . . 0.0 111.663 -179.647 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 65.06 13.92 58.26 Favored Glycine 0 CA--C 1.529 0.921 0 CA-C-N 115.073 -0.967 . . . . 0.0 112.621 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.444 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 3.4 t -87.52 -52.39 0.4 Allowed Pre-proline 0 N--CA 1.45 -0.428 0 O-C-N 124.514 0.773 . . . . 0.0 111.825 178.197 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.444 ' CD ' ' N ' ' A' ' 41' ' ' SER . 29.7 Cg_endo -81.37 -160.49 0.13 Allowed 'Trans proline' 0 C--N 1.359 1.091 0 O-C-N 123.823 1.433 . . . . 0.0 110.977 -179.634 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -130.79 -158.48 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.099 -0.955 . . . . 0.0 108.874 179.694 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 5.4 p -79.75 105.23 10.89 Favored 'General case' 0 N--CA 1.452 -0.368 0 O-C-N 125.359 1.662 . . . . 0.0 110.416 178.686 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -130.64 55.95 1.8 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 123.963 0.789 . . . . 0.0 109.009 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -82.63 0.45 43.0 Favored 'General case' 0 N--CA 1.446 -0.669 0 CA-C-N 114.805 -1.089 . . . . 0.0 112.289 -179.521 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 14.3 tp -79.44 11.5 2.97 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 112.916 0.71 . . . . 0.0 112.916 -179.016 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -100.28 95.05 6.52 Favored 'General case' 0 C--N 1.322 -0.619 0 O-C-N 123.776 0.673 . . . . 0.0 110.455 -179.586 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 16.4 m-30 -77.72 -27.24 50.55 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.425 1.078 . . . . 0.0 110.506 179.731 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 -101.2 -3.52 28.92 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.65 1.219 . . . . 0.0 113.423 -178.174 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.538 ' CD ' ' CE2' ' A' ' 35' ' ' TYR . 1.8 ttp180 -115.79 132.14 56.73 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.238 0.961 . . . . 0.0 111.132 -178.733 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.694 ' CG2' ' CG2' ' A' ' 69' ' ' VAL . 48.3 t -105.0 117.32 50.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.624 1.203 . . . . 0.0 108.493 179.231 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.41 129.14 46.34 Favored 'General case' 0 N--CA 1.449 -0.494 0 O-C-N 124.412 1.07 . . . . 0.0 109.953 179.715 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 2.9 t -123.52 149.89 27.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.438 1.086 . . . . 0.0 109.12 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 11.3 m-85 -119.64 135.35 54.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.539 1.15 . . . . 0.0 110.566 179.478 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 16.2 p90 -136.26 164.42 28.12 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.501 1.126 . . . . 0.0 111.389 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -90.56 119.33 69.09 Favored Pre-proline 0 C--N 1.324 -0.517 0 CA-C-N 114.446 -1.252 . . . . 0.0 108.244 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -80.06 19.15 1.07 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.066 1.561 . . . . 0.0 114.637 -178.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -101.59 -55.29 0.9 Allowed Glycine 0 CA--C 1.53 1.012 0 N-CA-C 110.746 -0.942 . . . . 0.0 110.746 179.685 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 15.2 t -114.59 5.88 15.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 0.751 . . . . 0.0 112.362 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 73.7 m-80 60.27 62.62 1.55 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 123.881 0.738 . . . . 0.0 110.088 179.7 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 66.9 t -142.52 138.39 28.88 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.4 0 O-C-N 124.447 1.092 . . . . 0.0 110.094 179.629 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 60.1 t -78.89 137.74 21.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.363 1.04 . . . . 0.0 109.945 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -145.98 29.57 1.09 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.522 1.139 . . . . 0.0 109.45 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 63.6 m-70 -147.68 130.5 16.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.738 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 41.5 t -66.27 114.93 19.08 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.382 1.051 . . . . 0.0 109.571 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -79.06 153.92 25.26 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.466 1.772 . . . . 0.0 111.214 179.572 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 11.2 p80 -143.97 160.74 40.3 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.421 1.076 . . . . 0.0 109.726 179.558 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.694 ' CG2' ' CG2' ' A' ' 52' ' ' VAL . 92.8 t -112.94 98.04 6.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.575 1.172 . . . . 0.0 108.862 179.822 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.962 0 O-C-N 124.295 0.997 . . . . 0.0 110.855 -179.695 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.452 -0.369 0 N-CA-C 112.22 0.452 . . . . 0.0 112.22 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -134.8 -167.16 1.93 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.242 0.964 . . . . 0.0 110.291 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 4.1 m-30 -99.95 -169.66 1.77 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.424 1.078 . . . . 0.0 110.968 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 126.34 -5.26 7.69 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.42 1.075 . . . . 0.0 112.966 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.1 t 175.07 109.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.225 0.603 . . . . 0.0 109.895 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -152.05 96.49 2.21 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.378 1.049 . . . . 0.0 110.444 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 6.7 mp -80.71 113.42 18.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 109.324 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 11.1 mttp -72.66 89.83 1.34 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 109.47 -179.734 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.1 m -148.52 137.51 21.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.341 1.026 . . . . 0.0 109.663 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -125.03 91.84 48.62 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.606 1.191 . . . . 0.0 110.695 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -75.38 -4.72 15.71 Favored 'Trans proline' 0 C--N 1.367 1.525 0 O-C-N 123.815 1.429 . . . . 0.0 112.893 -179.409 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -76.93 -19.16 57.71 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.159 0.912 . . . . 0.0 111.562 -179.625 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 2.9 t -93.73 39.27 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 O-C-N 124.253 0.97 . . . . 0.0 109.527 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 55.6 t -104.99 137.26 35.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.11 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 110.08 -26.57 13.47 Favored Glycine 0 CA--C 1.532 1.097 0 O-C-N 124.546 1.154 . . . . 0.0 110.586 -179.718 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 19.1 mttt -76.78 162.55 27.57 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.596 0.821 . . . . 0.0 108.815 -179.728 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 70.5 p -98.33 168.83 9.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.158 0.911 . . . . 0.0 110.201 179.754 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 73.0 t -49.57 -53.47 9.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.115 . . . . 0.0 111.316 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.11 -36.85 75.89 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.313 1.008 . . . . 0.0 110.563 -179.417 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.67 -54.14 40.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.555 1.16 . . . . 0.0 109.575 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -74.02 0.49 13.48 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.44 1.087 . . . . 0.0 112.81 179.683 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 18.4 tpp85 -81.46 -46.25 14.83 Favored 'General case' 0 C--N 1.322 -0.593 0 O-C-N 124.348 1.03 . . . . 0.0 109.289 179.594 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -72.44 -30.62 64.75 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 114.582 -1.19 . . . . 0.0 109.858 179.508 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 36.0 t80 -65.29 -56.02 15.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.588 1.18 . . . . 0.0 110.85 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -66.87 -21.87 65.99 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.639 1.212 . . . . 0.0 110.972 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.4 m -76.53 -36.21 57.83 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.311 1.007 . . . . 0.0 111.65 -179.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.4 mt -82.37 -45.33 15.01 Favored 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 113.964 1.098 . . . . 0.0 113.964 -178.363 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 21.6 m170 -83.02 -42.15 17.84 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.059 0.849 . . . . 0.0 112.96 -178.544 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 45.8 m-85 -121.71 72.67 31.45 Favored Pre-proline 0 C--O 1.24 0.56 0 N-CA-C 115.031 1.493 . . . . 0.0 115.031 -178.531 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_endo -76.62 5.68 4.62 Favored 'Trans proline' 0 C--N 1.358 1.07 0 O-C-N 123.601 1.316 . . . . 0.0 113.445 179.708 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -121.4 21.21 11.1 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.361 1.038 . . . . 0.0 110.512 179.24 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . 0.254 1.1 m-30 -122.98 126.14 46.6 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 114.979 -1.01 . . . . 0.0 109.665 179.542 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -89.81 98.16 11.61 Favored 'General case' 0 C--N 1.322 -0.591 0 O-C-N 124.469 1.106 . . . . 0.0 108.683 178.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.5 t -85.87 151.29 3.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.551 1.157 . . . . 0.0 109.201 -179.713 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -137.34 122.74 19.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 110.973 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 42.3 m-85 -101.54 116.91 33.82 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.229 0.956 . . . . 0.0 110.689 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.497 ' CB ' ' CD ' ' A' ' 38' ' ' PRO . 0.2 OUTLIER -142.22 -178.93 0.87 Allowed Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.255 0.972 . . . . 0.0 108.841 -179.901 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.497 ' CD ' ' CB ' ' A' ' 37' ' ' LEU . 9.9 Cg_endo -73.36 161.35 42.89 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.311 1.69 . . . . 0.0 110.476 179.401 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -91.39 51.43 1.9 Allowed 'General case' 0 C--N 1.322 -0.59 0 O-C-N 124.505 1.128 . . . . 0.0 110.304 -179.359 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -127.19 21.63 5.75 Favored Glycine 0 CA--C 1.528 0.9 0 O-C-N 124.313 1.008 . . . . 0.0 115.358 -178.285 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.496 ' CB ' ' CD ' ' A' ' 42' ' ' PRO . 2.6 p -88.42 -178.49 1.06 Allowed Pre-proline 0 C--O 1.239 0.503 0 O-C-N 124.477 0.751 . . . . 0.0 109.809 178.232 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.496 ' CD ' ' CB ' ' A' ' 41' ' ' SER . 68.3 Cg_endo -83.49 -89.6 0.0 OUTLIER 'Trans proline' 0 C--N 1.358 1.058 0 O-C-N 124.156 1.609 . . . . 0.0 111.915 -179.653 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 1.1 p -140.0 -158.84 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.211 -0.904 . . . . 0.0 108.796 -179.797 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 1.042 ' CG2' ' OXT' ' A' ' 70' ' ' GLY . 1.3 p -81.95 90.85 6.5 Favored 'General case' 0 N--CA 1.448 -0.536 0 O-C-N 125.144 1.528 . . . . 0.0 110.604 178.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.3 mt -74.53 -71.59 0.33 Allowed 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 114.92 -1.036 . . . . 0.0 110.906 -179.677 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -62.37 163.53 8.43 Favored 'General case' 0 N--CA 1.448 -0.566 0 O-C-N 124.395 1.059 . . . . 0.0 111.274 -179.404 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -120.46 44.77 2.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 114.934 -1.03 . . . . 0.0 109.556 -179.74 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -87.84 104.93 17.05 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 114.885 -1.052 . . . . 0.0 109.555 179.84 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 13.7 m-30 -71.31 -29.49 65.09 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 115.341 -0.845 . . . . 0.0 112.595 -178.753 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 10.8 p-10 -89.35 -10.1 47.94 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.471 1.107 . . . . 0.0 111.866 179.611 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -98.94 119.94 38.55 Favored 'General case' 0 C--N 1.323 -0.575 0 O-C-N 123.934 0.771 . . . . 0.0 109.873 -179.372 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 1.9 t -109.44 148.77 12.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.258 0.974 . . . . 0.0 110.051 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 1.3 mtt85 -120.19 135.26 55.04 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 114.77 -1.105 . . . . 0.0 109.711 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 17.3 t -129.32 136.99 58.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.611 1.194 . . . . 0.0 109.255 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 44.4 m-85 -105.71 144.23 32.74 Favored 'General case' 0 C--N 1.328 -0.337 0 O-C-N 124.445 1.091 . . . . 0.0 111.22 179.733 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 15.7 p90 -148.73 169.26 20.83 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 114.939 -1.028 . . . . 0.0 110.469 -179.593 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -78.75 133.75 61.91 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.316 1.01 . . . . 0.0 109.701 -179.665 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -85.24 38.02 0.63 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.239 1.652 . . . . 0.0 113.198 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -146.66 -67.28 0.01 OUTLIER Glycine 0 CA--C 1.531 1.045 0 N-CA-C 110.752 -0.939 . . . . 0.0 110.752 179.767 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 7.4 t -83.43 -19.93 35.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 0.757 . . . . 0.0 110.96 179.752 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 8.7 m-20 69.38 68.41 0.26 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.342 1.026 . . . . 0.0 109.33 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 49.9 t -143.69 139.88 25.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.201 179.724 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 45.4 t -80.87 125.89 39.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 108.893 179.517 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.482 ' ND2' ' CD2' ' A' ' 65' ' ' HIS . 0.5 OUTLIER -134.44 24.73 3.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.678 1.236 . . . . 0.0 109.715 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . 0.482 ' CD2' ' ND2' ' A' ' 64' ' ' ASN . 64.2 m-70 -143.28 144.97 32.33 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.315 1.009 . . . . 0.0 109.376 179.776 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 59.5 t -70.92 115.88 40.64 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.606 1.191 . . . . 0.0 109.089 179.765 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 27.7 Cg_endo -74.63 148.32 36.9 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.544 1.813 . . . . 0.0 110.665 -179.643 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -148.5 163.22 37.85 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.481 1.113 . . . . 0.0 109.753 -179.796 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 97.6 t -85.73 149.65 4.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 109.384 179.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . 1.042 ' OXT' ' CG2' ' A' ' 44' ' ' THR . . . . . . . . 0 CA--C 1.53 0.979 0 O-C-N 124.497 1.123 . . . . 0.0 110.979 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 82.3 p . . . . . 0 N--CA 1.452 -0.365 0 CA-C-O 120.541 0.21 . . . . 0.0 110.492 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -90.95 162.29 14.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.58 1.175 . . . . 0.0 110.214 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 87.7 m-85 -51.76 -26.22 9.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.155 . . . . 0.0 110.845 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 84.07 -4.17 83.86 Favored Glycine 0 CA--C 1.529 0.922 0 O-C-N 124.495 1.122 . . . . 0.0 113.017 179.75 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.4 t -92.78 -100.46 0.13 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.18 0.576 . . . . 0.0 110.087 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 68.71 157.84 0.15 Allowed 'General case' 0 N--CA 1.451 -0.384 0 O-C-N 124.098 0.874 . . . . 0.0 110.263 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 5.9 mp -92.11 165.18 13.29 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 114.727 -1.124 . . . . 0.0 108.72 179.549 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 45.3 mmtt -60.67 96.92 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.602 1.189 . . . . 0.0 109.482 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.5 t -142.98 142.33 31.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.342 1.026 . . . . 0.0 109.687 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -127.71 99.43 26.42 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.143 . . . . 0.0 111.067 -179.653 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_endo -77.2 -0.96 11.12 Favored 'Trans proline' 0 C--N 1.363 1.311 0 O-C-N 124.067 1.562 . . . . 0.0 112.498 179.624 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -77.15 -30.59 55.08 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 123.857 0.723 . . . . 0.0 111.866 -179.17 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 12.1 p -91.85 55.77 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.199 0.937 . . . . 0.0 110.273 -179.371 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 26.9 t -122.7 115.68 46.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.321 1.013 . . . . 0.0 109.142 179.71 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 118.92 -20.14 10.01 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.464 1.103 . . . . 0.0 111.603 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.3 ptpt -79.66 162.03 25.49 Favored 'General case' 0 C--N 1.327 -0.376 0 O-C-N 124.626 0.839 . . . . 0.0 108.762 -179.136 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 25.4 p -88.27 166.46 14.3 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.127 0.892 . . . . 0.0 111.477 -179.397 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 15.5 t -49.26 -58.26 1.4 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 111.325 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -52.04 -37.51 53.83 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.174 -0.921 . . . . 0.0 110.592 -179.25 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 7.1 mm-40 -63.75 -52.32 60.9 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.127 . . . . 0.0 110.034 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.04 -0.27 13.41 Favored 'General case' 0 N--CA 1.451 -0.395 0 O-C-N 124.565 1.165 . . . . 0.0 113.156 -179.707 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 7.1 tpp85 -84.43 -46.43 11.69 Favored 'General case' 0 C--N 1.322 -0.625 0 O-C-N 124.559 1.162 . . . . 0.0 109.865 -179.68 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -75.29 -24.72 57.56 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 114.747 -1.115 . . . . 0.0 110.808 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 57.4 t80 -71.55 -48.68 46.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 112.151 -179.622 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -71.15 -22.88 62.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.449 1.093 . . . . 0.0 112.287 -179.437 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 24.4 m -76.37 -32.25 58.51 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.297 0.998 . . . . 0.0 111.915 -179.367 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 15.5 mt -88.15 -46.0 9.64 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 113.712 1.004 . . . . 0.0 113.712 -178.318 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 14.8 m170 -84.98 -38.94 18.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.088 0.867 . . . . 0.0 113.085 -178.417 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 47.1 m-85 -123.58 57.69 12.38 Favored Pre-proline 0 C--N 1.323 -0.562 0 N-CA-C 114.288 1.218 . . . . 0.0 114.288 -178.295 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_endo -68.57 -8.82 24.27 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 123.876 1.461 . . . . 0.0 113.5 -179.006 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -98.05 17.17 19.01 Favored 'General case' 0 C--N 1.327 -0.381 0 O-C-N 124.205 0.941 . . . . 0.0 111.748 -179.794 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . 0.267 3.2 m-85 -128.07 129.95 47.45 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.202 -0.908 . . . . 0.0 109.992 -179.451 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 83.6 m-20 -89.85 98.27 11.67 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.387 1.055 . . . . 0.0 108.491 178.763 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 6.0 t -85.3 148.84 4.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.132 . . . . 0.0 110.821 -179.481 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 3.8 m-30 -132.51 141.89 48.97 Favored 'General case' 0 CA--C 1.543 0.686 0 O-C-N 124.426 1.079 . . . . 0.0 109.825 179.119 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 32.4 m-85 -120.49 126.81 51.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.816 1.322 . . . . 0.0 110.892 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 12.2 mt -145.22 160.95 44.05 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.218 0.949 . . . . 0.0 109.024 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 5.9 Cg_endo -66.83 150.5 83.25 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.442 1.759 . . . . 0.0 110.574 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -69.67 137.05 51.82 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.527 1.142 . . . . 0.0 112.009 -179.259 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 78.09 8.47 87.4 Favored Glycine 0 CA--C 1.529 0.95 0 CA-C-N 114.87 -1.059 . . . . 0.0 113.031 179.022 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 52.3 p -94.72 150.87 38.59 Favored Pre-proline 0 C--O 1.244 0.788 0 O-C-N 124.716 0.892 . . . . 0.0 109.524 178.127 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 26.7 Cg_endo -64.01 140.41 72.32 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 123.865 1.455 . . . . 0.0 110.332 178.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -142.65 168.43 13.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.357 1.036 . . . . 0.0 108.808 179.824 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -75.59 90.55 2.79 Favored 'General case' 0 CA--C 1.534 0.361 0 O-C-N 125.107 1.504 . . . . 0.0 108.305 177.333 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -87.69 40.97 0.96 Allowed 'General case' 0 N--CA 1.449 -0.475 0 O-C-N 124.448 1.092 . . . . 0.0 111.809 -177.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -77.89 -158.72 0.13 Allowed 'General case' 0 C--N 1.323 -0.584 0 O-C-N 124.129 0.893 . . . . 0.0 109.401 179.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -109.06 92.55 4.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.011 0.82 . . . . 0.0 110.482 -179.471 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 7.1 mmm180 -114.52 119.96 38.62 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 114.784 -1.098 . . . . 0.0 110.28 -179.462 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 18.0 m-30 -85.74 -38.16 18.56 Favored 'General case' 0 CA--C 1.536 0.429 0 O-C-N 124.261 0.976 . . . . 0.0 112.749 -179.38 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -92.44 -7.75 46.68 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.704 1.252 . . . . 0.0 112.206 -179.468 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 8.0 ttm180 -98.61 125.45 43.87 Favored 'General case' 0 C--N 1.323 -0.56 0 O-C-N 124.089 0.868 . . . . 0.0 110.526 -179.064 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.697 ' CG2' ' CG2' ' A' ' 69' ' ' VAL . 53.9 t -111.9 123.48 67.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.421 1.076 . . . . 0.0 109.088 179.194 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 66.8 mtt85 -88.95 136.7 32.87 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.025 -0.989 . . . . 0.0 111.103 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 62.3 t -131.54 151.95 36.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.276 0.985 . . . . 0.0 109.248 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 24.3 m-85 -131.56 142.08 49.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 111.131 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.44 ' C ' ' CD1' ' A' ' 56' ' ' TYR . 5.4 p90 -140.05 165.43 27.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.604 1.19 . . . . 0.0 110.467 179.661 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 -102.16 133.65 20.51 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 0.0 109.801 -179.544 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_endo -78.87 -17.97 11.9 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.42 1.748 . . . . 0.0 111.719 179.667 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -50.12 -54.08 20.57 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.349 1.031 . . . . 0.0 111.831 -179.679 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 14.9 t -132.62 13.77 4.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 0.76 . . . . 0.0 111.903 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 5.9 m120 58.09 61.18 2.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.039 0.837 . . . . 0.0 109.654 179.738 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 38.8 t -140.72 142.47 30.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 O-C-N 124.529 1.143 . . . . 0.0 110.333 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 47.8 t -81.46 137.24 21.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 114.957 -1.02 . . . . 0.0 109.557 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 37.4 p30 -147.97 34.33 0.83 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.538 1.149 . . . . 0.0 109.878 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 89.7 m-70 -147.89 124.61 11.16 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.481 1.113 . . . . 0.0 109.59 179.735 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 14.9 t -58.05 111.28 3.32 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.45 1.094 . . . . 0.0 109.968 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_endo -82.95 104.84 1.3 Allowed 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.475 1.776 . . . . 0.0 110.797 179.531 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -107.41 163.25 13.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.328 1.017 . . . . 0.0 109.756 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.697 ' CG2' ' CG2' ' A' ' 52' ' ' VAL . 69.2 t -86.42 145.94 7.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 108.89 179.568 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.945 0 O-C-N 124.669 1.231 . . . . 0.0 111.056 -179.853 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 16.3 m . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 110.362 -0.236 . . . . 0.0 110.362 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -92.92 165.47 12.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.459 1.099 . . . . 0.0 110.299 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 20.9 m-30 -99.82 -38.9 8.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 111.057 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 77.31 5.71 85.73 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.493 1.12 . . . . 0.0 112.928 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.6 t -90.8 46.13 1.31 Allowed 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.22 0.6 . . . . 0.0 110.143 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 23.2 mp0 -142.84 63.07 1.39 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.095 . . . . 0.0 110.293 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -126.22 -176.73 3.73 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.576 1.172 . . . . 0.0 109.36 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 19.8 mmtp -62.02 105.13 0.54 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.503 1.127 . . . . 0.0 109.421 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.1 m -138.13 147.39 43.88 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.447 1.092 . . . . 0.0 109.766 179.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.4 ' CD1' ' N ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -127.27 98.7 29.11 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 111.047 -179.754 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 24.8 Cg_endo -75.33 -4.37 15.22 Favored 'Trans proline' 0 C--N 1.363 1.336 0 O-C-N 124.055 1.555 . . . . 0.0 112.676 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -72.97 -17.91 61.42 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.061 0.85 . . . . 0.0 111.302 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 5.5 t -93.83 32.4 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.218 0.949 . . . . 0.0 110.01 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 9.0 t -94.78 108.85 21.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.385 1.053 . . . . 0.0 109.103 179.78 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 118.52 -19.54 10.57 Favored Glycine 0 CA--C 1.531 1.085 0 O-C-N 124.573 1.171 . . . . 0.0 111.287 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.4 mtpt -73.78 162.61 28.95 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.571 0.807 . . . . 0.0 108.824 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -104.55 165.5 11.02 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.183 0.927 . . . . 0.0 109.856 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.1 t -48.62 -49.94 13.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.028 0.83 . . . . 0.0 111.944 -179.684 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -54.06 -42.04 68.81 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.234 0.959 . . . . 0.0 111.309 -178.761 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 5.9 mm100 -62.4 -54.17 44.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.385 1.053 . . . . 0.0 110.402 -179.666 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.76 -0.34 13.02 Favored 'General case' 0 C--N 1.328 -0.368 0 O-C-N 124.605 1.191 . . . . 0.0 113.186 -179.412 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 14.2 tpp85 -83.32 -45.99 13.12 Favored 'General case' 0 C--N 1.322 -0.62 0 O-C-N 124.465 1.103 . . . . 0.0 109.669 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -77.34 -22.98 51.0 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 114.726 -1.125 . . . . 0.0 110.829 -179.617 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 40.8 t80 -71.53 -50.04 35.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.389 1.056 . . . . 0.0 111.957 -179.478 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 22.0 m-30 -72.38 -25.61 61.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.372 1.045 . . . . 0.0 111.793 -179.633 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 17.1 m -74.17 -32.37 63.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.321 1.013 . . . . 0.0 111.153 -179.752 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 19.1 mt -92.06 -46.1 7.96 Favored 'General case' 0 N--CA 1.45 -0.446 0 N-CA-C 113.971 1.1 . . . . 0.0 113.971 -178.227 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 18.5 m170 -85.53 -36.52 20.43 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 113.49 0.922 . . . . 0.0 113.49 -178.129 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -123.83 62.66 26.96 Favored Pre-proline 0 C--O 1.241 0.631 0 N-CA-C 115.074 1.509 . . . . 0.0 115.074 -178.153 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 13.0 Cg_endo -70.8 -2.07 10.33 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 123.618 1.325 . . . . 0.0 113.297 -179.543 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -107.09 18.24 21.98 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.338 1.024 . . . . 0.0 111.358 179.84 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . 0.275 3.1 m-85 -129.53 122.26 28.85 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.108 -0.951 . . . . 0.0 110.079 -179.157 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -87.57 97.96 11.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.318 1.011 . . . . 0.0 108.572 178.366 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 3.4 t -84.86 151.55 3.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.905 -179.573 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.479 ' CG ' ' NH1' ' A' ' 53' ' ' ARG . 45.6 m-85 -139.78 131.78 27.83 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.362 1.039 . . . . 0.0 110.801 179.663 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 50.2 m-85 -103.39 134.08 47.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.316 1.01 . . . . 0.0 111.009 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -146.25 162.03 36.56 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.333 1.021 . . . . 0.0 109.12 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -77.12 147.93 26.9 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.517 1.798 . . . . 0.0 110.638 179.355 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -50.81 137.9 19.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.104 . . . . 0.0 111.263 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.42 ' C ' ' CD ' ' A' ' 42' ' ' PRO . . . 82.02 16.97 70.91 Favored Glycine 0 CA--C 1.528 0.888 0 O-C-N 124.318 1.011 . . . . 0.0 113.533 179.227 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.455 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 24.3 p -106.7 38.15 0.08 OUTLIER Pre-proline 0 C--O 1.25 1.096 0 N-CA-C 118.351 2.723 . . . . 0.0 118.351 179.431 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.455 ' CD ' ' N ' ' A' ' 41' ' ' SER . 12.4 Cg_endo -65.44 140.46 63.53 Favored 'Trans proline' 0 C--N 1.359 1.088 0 C-N-CA 121.346 1.364 . . . . 0.0 110.54 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -120.12 -159.25 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 109.412 -179.823 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.6 p -81.76 98.27 8.37 Favored 'General case' 0 N--CA 1.449 -0.475 0 O-C-N 125.066 1.479 . . . . 0.0 110.563 178.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 23.8 mt -119.73 96.54 5.23 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 179.62 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.24 -55.47 24.6 Favored 'General case' 0 N--CA 1.446 -0.625 0 O-C-N 124.593 1.183 . . . . 0.0 110.693 -179.453 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 176.55 82.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.032 0.833 . . . . 0.0 109.786 179.756 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.496 ' CB ' ' OXT' ' A' ' 70' ' ' GLY . 16.6 mmt180 -90.7 121.44 32.6 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.253 0.971 . . . . 0.0 109.821 179.614 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 15.7 m-30 -83.85 -42.06 16.81 Favored 'General case' 0 CA--C 1.537 0.471 0 O-C-N 124.411 1.07 . . . . 0.0 111.707 -179.37 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -93.5 -11.75 31.26 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.842 1.339 . . . . 0.0 112.621 -178.673 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 2.4 ttp180 -91.44 109.67 20.96 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.008 0.818 . . . . 0.0 111.328 -179.387 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.563 ' CG2' ' CG2' ' A' ' 69' ' ' VAL . 84.1 t -107.53 121.56 60.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 O-C-N 124.301 1.001 . . . . 0.0 109.511 179.642 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.479 ' NH1' ' CG ' ' A' ' 35' ' ' TYR . 9.6 mmm180 -88.47 142.87 27.36 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.035 -0.984 . . . . 0.0 111.409 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 61.7 t -130.96 154.54 40.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.326 1.016 . . . . 0.0 108.945 179.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 14.5 m-85 -127.46 137.26 52.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.591 1.182 . . . . 0.0 111.594 -179.775 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 12.1 p90 -146.5 168.45 21.17 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.367 1.042 . . . . 0.0 110.694 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -98.72 131.25 26.1 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.496 1.122 . . . . 0.0 109.881 -179.686 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 27.7 Cg_endo -79.0 7.42 4.36 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.42 1.747 . . . . 0.0 112.553 179.688 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -88.88 -74.63 1.29 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.184 0.927 . . . . 0.0 110.786 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 15.4 t -97.03 2.8 51.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 0.743 . . . . 0.0 112.402 179.761 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 10.7 m-80 60.69 61.32 1.72 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 123.934 0.771 . . . . 0.0 110.029 179.636 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 69.3 t -142.04 151.26 18.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 O-C-N 124.417 1.073 . . . . 0.0 109.309 179.693 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 99.0 t -83.51 138.18 19.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.364 1.04 . . . . 0.0 109.83 -179.777 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 37.4 p30 -141.74 25.11 2.0 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.538 1.149 . . . . 0.0 109.541 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 71.7 m-70 -148.53 128.74 13.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.436 1.085 . . . . 0.0 109.541 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 38.5 t -60.66 114.52 10.47 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.142 . . . . 0.0 109.388 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -74.85 147.75 35.06 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.51 1.795 . . . . 0.0 110.956 179.512 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -147.96 162.5 39.2 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.433 1.083 . . . . 0.0 110.065 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.563 ' CG2' ' CG2' ' A' ' 52' ' ' VAL . 55.3 t -87.8 145.76 7.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 114.907 -1.042 . . . . 0.0 109.302 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . 0.496 ' OXT' ' CB ' ' A' ' 48' ' ' ARG . . . . . . . . 0 CA--C 1.53 0.993 0 O-C-N 124.515 1.134 . . . . 0.0 110.966 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 CA-C-O 120.539 0.209 . . . . 0.0 110.47 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -137.46 155.33 49.44 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.106 . . . . 0.0 110.34 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 44.0 m-85 -88.88 -38.84 14.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.566 1.166 . . . . 0.0 110.95 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 82.81 4.05 90.22 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.432 1.082 . . . . 0.0 112.957 179.734 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.2 t -148.09 -178.15 6.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.215 0.597 . . . . 0.0 110.052 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -135.73 124.83 24.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 110.085 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.4 mt -121.55 164.62 16.95 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.459 1.099 . . . . 0.0 109.644 -179.74 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 7.9 mtpm? -61.87 103.72 0.38 Allowed 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.475 1.109 . . . . 0.0 109.323 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 54.4 p -127.59 143.54 51.16 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.539 1.15 . . . . 0.0 109.841 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -124.22 99.55 37.06 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.534 1.146 . . . . 0.0 110.763 179.754 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -73.46 -7.05 19.79 Favored 'Trans proline' 0 C--N 1.364 1.351 0 O-C-N 124.199 1.631 . . . . 0.0 112.776 -179.578 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 65.9 tt0 -72.76 -19.95 61.27 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.177 0.923 . . . . 0.0 111.113 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 3.4 t -94.15 36.9 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.298 0.999 . . . . 0.0 109.675 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 7.0 t -102.6 111.69 33.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.189 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 116.25 -15.3 15.56 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.456 1.097 . . . . 0.0 112.007 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 11.6 mptt -71.76 161.04 31.58 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 179.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 82.6 p -97.45 165.19 12.12 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.536 1.147 . . . . 0.0 109.553 178.265 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 13.4 t -50.48 -47.35 27.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.258 0.974 . . . . 0.0 110.414 179.786 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -64.87 -37.24 86.97 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 114.947 -1.024 . . . . 0.0 111.339 -179.542 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.2 -53.85 49.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.66 -179.809 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -74.38 -1.43 20.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.531 1.144 . . . . 0.0 113.242 -179.467 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -80.47 -45.72 17.08 Favored 'General case' 0 C--N 1.322 -0.614 0 O-C-N 124.464 1.102 . . . . 0.0 109.746 179.706 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -75.37 -30.14 60.1 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 114.627 -1.169 . . . . 0.0 111.127 -179.463 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 62.0 t80 -68.67 -48.61 63.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.364 1.04 . . . . 0.0 111.783 -179.649 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -71.86 -27.46 62.89 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.59 1.181 . . . . 0.0 112.674 -179.286 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 23.6 m -78.58 -32.79 47.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.237 0.96 . . . . 0.0 112.599 -179.276 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 12.6 mt -84.58 -47.69 10.29 Favored 'General case' 0 N--CA 1.45 -0.444 0 N-CA-C 113.817 1.043 . . . . 0.0 113.817 -178.237 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 32.7 m-70 -87.85 -33.75 18.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.069 0.856 . . . . 0.0 113.139 -177.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 50.6 m-85 -124.69 56.61 12.99 Favored Pre-proline 0 C--N 1.324 -0.528 0 N-CA-C 114.052 1.13 . . . . 0.0 114.052 -178.386 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -69.11 -6.41 18.21 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.025 1.54 . . . . 0.0 112.914 -179.375 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -98.43 15.38 24.98 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.154 0.909 . . . . 0.0 111.912 -179.834 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . 0.257 1.1 m-30 -123.48 131.97 53.79 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.277 -0.874 . . . . 0.0 109.51 179.399 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -89.66 97.57 11.27 Favored 'General case' 0 C--N 1.323 -0.571 0 O-C-N 124.568 1.168 . . . . 0.0 108.61 178.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.6 t -87.81 151.0 3.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 -179.324 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 17.2 m-85 -137.33 107.86 6.54 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.272 0.982 . . . . 0.0 110.877 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 38.4 m-85 -91.37 110.01 21.31 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.293 0.995 . . . . 0.0 110.84 179.7 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.494 ' CB ' ' CD ' ' A' ' 38' ' ' PRO . 0.2 OUTLIER -144.81 179.42 1.17 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.248 0.968 . . . . 0.0 108.974 -179.935 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.494 ' CD ' ' CB ' ' A' ' 37' ' ' LEU . 1.8 Cg_endo -68.71 155.53 68.48 Favored 'Trans proline' 0 C--N 1.358 1.077 0 O-C-N 124.522 1.801 . . . . 0.0 110.49 179.524 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.1 pm0 -86.26 146.66 26.43 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 114.791 -1.095 . . . . 0.0 112.462 -178.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 74.3 10.29 81.74 Favored Glycine 0 CA--C 1.527 0.84 0 CA-C-N 115.06 -0.973 . . . . 0.0 113.152 179.34 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.403 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 0.6 OUTLIER -88.66 -55.8 0.31 Allowed Pre-proline 0 N--CA 1.452 -0.358 0 O-C-N 124.395 0.703 . . . . 0.0 111.153 178.053 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.403 ' CD ' ' N ' ' A' ' 41' ' ' SER . 36.7 Cg_endo -84.95 173.68 7.91 Favored 'Trans proline' 0 C--N 1.358 1.056 0 O-C-N 124.21 1.637 . . . . 0.0 110.918 -179.503 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -131.29 176.22 9.4 Favored 'Isoleucine or valine' 0 C--O 1.241 0.62 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 179.524 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 30.6 p -94.03 48.77 1.28 Allowed 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 122.478 1.132 . . . . 0.0 108.179 179.028 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 47.1 mt -49.72 -53.49 24.47 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-N 113.193 -1.822 . . . . 0.0 109.73 -179.506 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -109.35 -173.53 2.29 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-N 114.64 -1.164 . . . . 0.0 110.003 -179.079 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 11.7 tp -130.01 73.73 1.55 Allowed 'General case' 0 C--N 1.327 -0.384 0 O-C-N 124.284 0.99 . . . . 0.0 109.729 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 10.4 mmm180 -89.58 93.78 9.61 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 114.904 -1.044 . . . . 0.0 110.055 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 33.9 m-85 -68.03 -30.07 69.21 Favored 'General case' 0 CA--C 1.536 0.408 0 O-C-N 124.256 0.972 . . . . 0.0 111.07 -179.451 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -88.73 -12.46 42.18 Favored 'General case' 0 C--N 1.323 -0.56 0 O-C-N 124.603 1.189 . . . . 0.0 111.833 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 7.1 ttp180 -104.24 117.15 33.54 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 123.981 0.801 . . . . 0.0 109.417 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -97.81 140.89 16.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 O-C-N 124.458 1.099 . . . . 0.0 110.04 -179.579 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 1.278 ' NH2' ' OXT' ' A' ' 70' ' ' GLY . 0.0 OUTLIER -118.21 92.29 3.79 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 124.524 1.14 . . . . 0.0 109.338 179.441 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 86.5 t -86.9 148.73 4.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.731 1.27 . . . . 0.0 109.974 -179.61 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 22.0 m-30 -118.72 144.54 46.17 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.521 1.138 . . . . 0.0 110.89 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.411 ' CD1' ' C ' ' A' ' 56' ' ' TYR . 8.8 p90 -145.31 163.21 35.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.66 1.225 . . . . 0.0 110.304 179.554 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -101.6 108.3 55.08 Favored Pre-proline 0 C--N 1.324 -0.542 0 O-C-N 124.624 1.202 . . . . 0.0 108.558 -179.527 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -60.05 -11.97 17.46 Favored 'Trans proline' 0 C--N 1.362 1.264 0 O-C-N 124.387 1.73 . . . . 0.0 113.058 -178.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -58.34 -67.36 2.24 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.314 1.009 . . . . 0.0 110.898 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 13.3 t -112.22 19.56 17.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.553 0.796 . . . . 0.0 111.035 179.684 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 62.9 m-20 50.82 44.26 28.07 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.522 -0.763 . . . . 0.0 111.458 179.048 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 64.2 t -125.37 146.64 30.74 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.37 0 O-C-N 124.302 1.001 . . . . 0.0 109.835 179.434 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 95.3 t -86.11 128.51 39.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.596 1.185 . . . . 0.0 109.841 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -134.33 28.43 3.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.854 1.346 . . . . 0.0 109.256 179.548 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 54.4 m80 -139.0 124.2 19.09 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 114.777 -1.101 . . . . 0.0 109.25 179.494 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 24.9 t -63.14 113.83 10.67 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.804 1.315 . . . . 0.0 108.845 179.606 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 27.3 Cg_endo -75.8 146.47 29.92 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.561 1.822 . . . . 0.0 110.781 -179.445 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -142.71 163.25 33.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 110.109 -179.673 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 1.7 t -87.0 147.84 5.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.405 1.066 . . . . 0.0 109.335 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . 1.278 ' OXT' ' NH2' ' A' ' 53' ' ' ARG . . . . . . . . 0 CA--C 1.53 1.008 0 O-C-N 124.468 1.105 . . . . 0.0 110.961 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 110.344 -0.243 . . . . 0.0 110.344 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -133.61 -160.2 1.03 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 110.335 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -145.48 -152.25 0.42 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 110.92 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 136.95 -4.64 3.57 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.442 1.089 . . . . 0.0 112.914 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.8 t -150.36 157.87 43.53 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.151 0.559 . . . . 0.0 109.981 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -134.92 90.67 2.67 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.519 1.137 . . . . 0.0 110.247 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -103.3 67.32 0.92 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.437 1.085 . . . . 0.0 109.421 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 7.2 mttt -61.49 115.67 4.08 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.52 1.138 . . . . 0.0 109.226 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 9.3 m -148.46 128.62 13.7 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.5 1.125 . . . . 0.0 109.991 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -125.97 101.19 29.49 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 110.815 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 26.4 Cg_endo -74.44 -5.3 16.72 Favored 'Trans proline' 0 C--N 1.362 1.283 0 O-C-N 124.237 1.651 . . . . 0.0 112.877 -179.662 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -78.33 6.07 9.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.017 0.823 . . . . 0.0 112.368 -179.387 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 26.6 t -93.14 -21.67 6.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 123.902 0.751 . . . . 0.0 110.279 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 14.0 t -68.67 113.42 4.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.374 1.046 . . . . 0.0 109.467 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 124.71 -35.21 3.23 Favored Glycine 0 CA--C 1.529 0.915 0 O-C-N 124.402 1.064 . . . . 0.0 111.055 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 15.6 mtmt -74.9 -173.5 1.92 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.398 0.705 . . . . 0.0 109.13 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 68.7 p -115.65 165.11 13.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.433 1.083 . . . . 0.0 109.932 179.694 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.6 t -50.3 -50.15 21.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 O-C-N 124.263 0.977 . . . . 0.0 111.161 179.63 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -55.07 -37.75 67.16 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.197 -0.91 . . . . 0.0 113.17 -178.262 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 4.5 mm-40 -62.01 -54.64 38.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.324 1.015 . . . . 0.0 109.736 -179.778 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.69 -3.58 15.87 Favored 'General case' 0 C--N 1.327 -0.399 0 O-C-N 124.802 1.314 . . . . 0.0 113.485 -179.125 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 5.5 tpp85 -80.9 -45.69 16.39 Favored 'General case' 0 C--N 1.32 -0.7 0 O-C-N 124.793 1.308 . . . . 0.0 109.272 179.474 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -75.97 -34.23 59.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 114.516 -1.22 . . . . 0.0 110.135 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 59.4 t80 -55.65 -53.77 52.46 Favored 'General case' 0 C--N 1.327 -0.397 0 O-C-N 124.415 1.072 . . . . 0.0 111.153 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -66.75 -28.22 68.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.621 1.201 . . . . 0.0 111.446 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 20.9 m -71.05 -30.83 67.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.21 0.944 . . . . 0.0 110.553 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 15.9 mt -87.57 -45.91 10.02 Favored 'General case' 0 N--CA 1.449 -0.493 0 N-CA-C 114.058 1.133 . . . . 0.0 114.058 -178.292 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -86.02 -49.46 7.8 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 113.402 0.89 . . . . 0.0 113.402 -178.012 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 10.0 m-85 -119.61 75.22 18.36 Favored Pre-proline 0 C--N 1.324 -0.517 0 N-CA-C 115.031 1.493 . . . . 0.0 115.031 -178.429 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -79.36 8.55 3.83 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 123.91 1.479 . . . . 0.0 112.994 179.536 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 6.0 pm0 -118.92 23.16 11.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.198 0.936 . . . . 0.0 110.176 179.691 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 1.2 m-30 -121.56 131.23 54.01 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 114.858 -1.065 . . . . 0.0 109.879 179.723 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 36.4 t0 -88.05 98.08 11.33 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.461 1.101 . . . . 0.0 108.389 178.444 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.9 t -85.31 149.27 4.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.564 1.165 . . . . 0.0 110.329 -179.319 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -139.66 104.96 5.04 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 114.889 -1.051 . . . . 0.0 110.508 179.498 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 22.7 m-85 -91.23 126.15 36.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 110.873 179.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.1 mt -139.2 161.42 57.65 Favored Pre-proline 0 C--N 1.324 -0.54 0 O-C-N 124.364 1.04 . . . . 0.0 108.663 179.717 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 41.8 Cg_endo -89.52 57.19 1.89 Allowed 'Trans proline' 0 C--N 1.356 0.956 0 O-C-N 124.636 1.861 . . . . 0.0 112.039 -178.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -175.25 138.01 0.41 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.563 1.164 . . . . 0.0 112.446 179.491 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -121.25 24.85 7.21 Favored Glycine 0 CA--C 1.53 0.972 0 CA-C-N 114.618 -1.174 . . . . 0.0 111.399 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.444 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 1.2 t -87.14 -46.98 0.5 Allowed Pre-proline 0 C--O 1.241 0.654 0 N-CA-C 114.773 1.397 . . . . 0.0 114.773 179.328 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.444 ' CD ' ' N ' ' A' ' 41' ' ' SER . 8.2 Cg_exo -51.73 142.44 41.16 Favored 'Trans proline' 0 C--N 1.357 1.025 0 O-C-N 123.67 1.353 . . . . 0.0 110.126 -179.5 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -87.83 -157.45 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.448 -0.535 0 CA-C-N 114.72 -1.127 . . . . 0.0 111.13 -179.061 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 23.5 p -95.52 43.59 1.09 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 113.942 -1.481 . . . . 0.0 109.133 179.363 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 31.3 mt -48.37 -42.13 30.75 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 113.655 -1.611 . . . . 0.0 110.895 -179.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -79.28 162.78 25.42 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.4 1.063 . . . . 0.0 110.627 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 14.7 tp -123.92 74.87 1.31 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.164 -0.925 . . . . 0.0 109.33 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 1.099 ' O ' ' OXT' ' A' ' 70' ' ' GLY . 0.7 OUTLIER -132.29 112.41 12.2 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.388 1.055 . . . . 0.0 109.751 -179.582 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 37.9 m-85 -79.48 -26.3 41.66 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.164 0.915 . . . . 0.0 112.359 -179.304 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.7 p-10 -91.49 -7.59 50.04 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.328 1.017 . . . . 0.0 111.879 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 6.9 ttp180 -101.71 127.94 48.25 Favored 'General case' 0 C--N 1.322 -0.623 0 O-C-N 123.993 0.808 . . . . 0.0 109.845 -179.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 92.6 t -115.87 142.3 29.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.343 1.027 . . . . 0.0 110.255 -179.784 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 11.4 mtp180 -122.9 124.12 42.52 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 114.853 -1.067 . . . . 0.0 109.283 179.714 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 2.4 t -116.21 153.23 17.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.421 1.076 . . . . 0.0 110.784 -179.261 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -121.48 136.24 54.97 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 114.815 -1.084 . . . . 0.0 110.312 179.436 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.436 ' C ' ' CD1' ' A' ' 56' ' ' TYR . 3.6 p90 -136.02 168.61 19.04 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.465 1.103 . . . . 0.0 110.445 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -91.8 118.35 68.23 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.208 0.942 . . . . 0.0 111.026 -178.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_endo -77.71 85.21 1.84 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.297 1.682 . . . . 0.0 110.937 179.225 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -166.84 -57.91 0.03 OUTLIER Glycine 0 CA--C 1.532 1.105 0 O-C-N 124.419 1.074 . . . . 0.0 110.75 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 15.4 t -130.59 6.97 4.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 0.787 . . . . 0.0 112.2 179.683 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 5.7 m120 70.26 72.88 0.22 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 123.844 0.715 . . . . 0.0 109.528 179.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 9.9 t -144.19 126.74 11.18 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.321 0 O-C-N 124.629 1.206 . . . . 0.0 110.546 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 65.7 t -72.96 140.24 18.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.089 -0.96 . . . . 0.0 109.323 179.46 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -148.05 28.35 0.93 Allowed 'General case' 0 C--N 1.327 -0.385 0 O-C-N 124.436 1.085 . . . . 0.0 109.875 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 84.5 m-70 -149.51 125.79 10.79 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.42 1.075 . . . . 0.0 109.696 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 45.6 t -54.68 110.41 2.14 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 109.305 179.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 22.5 Cg_endo -78.95 118.52 4.1 Favored 'Trans proline' 0 C--N 1.359 1.092 0 O-C-N 124.404 1.739 . . . . 0.0 110.917 179.584 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 5.2 p-80 -128.03 162.73 26.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.103 . . . . 0.0 109.547 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 20.4 t -97.55 160.21 3.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 0.0 109.601 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . 1.099 ' OXT' ' O ' ' A' ' 48' ' ' ARG . . . . . . . . 0 CA--C 1.53 1.02 0 O-C-N 124.451 1.095 . . . . 0.0 110.989 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 57.1 p . . . . . 0 N--CA 1.453 -0.278 0 CA-C-O 120.541 0.21 . . . . 0.0 110.577 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 33.4 mm-40 -69.54 -154.76 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.447 1.092 . . . . 0.0 110.326 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . 0.415 ' CD1' ' N ' ' A' ' 3' ' ' PHE . 2.1 m-85 -74.82 -26.09 59.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.143 . . . . 0.0 110.769 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -96.21 9.23 67.47 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.412 1.07 . . . . 0.0 112.744 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.2 t -50.8 102.31 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.288 0.64 . . . . 0.0 111.021 -179.516 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -153.94 179.91 8.46 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.459 1.099 . . . . 0.0 110.264 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 6.0 mt -100.77 158.6 15.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.408 1.067 . . . . 0.0 109.179 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.1 mmtt -63.21 111.97 2.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.462 1.102 . . . . 0.0 109.164 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.8 m -143.79 147.93 34.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.623 1.202 . . . . 0.0 109.913 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -122.49 96.23 46.06 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.139 . . . . 0.0 110.914 -179.825 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_endo -73.15 -7.09 20.05 Favored 'Trans proline' 0 C--N 1.365 1.441 0 O-C-N 124.017 1.536 . . . . 0.0 112.75 -179.182 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -73.5 -22.24 60.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.196 0.935 . . . . 0.0 110.56 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -99.48 29.62 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.333 1.021 . . . . 0.0 109.945 -179.739 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 15.5 t -101.46 108.72 24.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.436 1.085 . . . . 0.0 109.146 179.72 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 122.72 -21.14 7.61 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.561 1.163 . . . . 0.0 110.907 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 37.2 mttm -76.06 160.95 29.29 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.691 0.877 . . . . 0.0 108.64 -179.702 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 81.4 p -89.93 166.36 13.53 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.092 0.87 . . . . 0.0 111.037 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.5 t -47.49 -60.48 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.641 1.213 . . . . 0.0 111.659 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -51.78 -36.98 49.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.112 0.882 . . . . 0.0 111.286 -179.131 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 11.8 mm-40 -64.85 -50.01 68.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.266 0.979 . . . . 0.0 110.537 -179.564 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.2 -3.5 17.22 Favored 'General case' 0 N--CA 1.452 -0.346 0 O-C-N 124.591 1.182 . . . . 0.0 113.0 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.6 tpm_? -83.19 -46.6 12.52 Favored 'General case' 0 C--N 1.321 -0.641 0 O-C-N 124.618 1.198 . . . . 0.0 109.74 179.761 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -68.79 -27.8 66.2 Favored 'General case' 0 N--CA 1.452 -0.356 0 O-C-N 124.649 1.218 . . . . 0.0 110.108 179.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 85.3 t80 -73.45 -51.32 17.61 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.557 1.161 . . . . 0.0 111.75 -179.735 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -70.54 -23.23 62.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 111.888 -179.514 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 3.4 m -78.42 -34.85 47.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.441 1.088 . . . . 0.0 112.379 -179.404 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 14.3 mt -83.86 -46.37 12.23 Favored 'General case' 0 N--CA 1.45 -0.435 0 O-C-N 124.102 0.877 . . . . 0.0 113.308 -178.475 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 21.7 m80 -85.12 -36.48 21.08 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.196 0.935 . . . . 0.0 112.912 -178.485 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 45.1 m-85 -125.12 60.63 29.67 Favored Pre-proline 0 C--N 1.323 -0.572 0 N-CA-C 114.878 1.436 . . . . 0.0 114.878 -178.225 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_endo -70.09 -2.42 10.37 Favored 'Trans proline' 0 C--N 1.359 1.099 0 O-C-N 123.768 1.404 . . . . 0.0 112.892 179.562 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -105.16 17.79 23.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.228 0.955 . . . . 0.0 111.581 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . 0.257 3.5 m-85 -124.3 128.81 49.69 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.203 -0.908 . . . . 0.0 110.126 179.837 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -87.23 98.46 11.33 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 177.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 3.9 t -83.47 151.43 3.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.516 1.135 . . . . 0.0 110.39 -179.362 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -136.92 127.41 26.75 Favored 'General case' 0 C--N 1.329 -0.312 0 O-C-N 124.422 1.076 . . . . 0.0 110.875 179.495 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -100.74 130.91 46.84 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.255 0.972 . . . . 0.0 110.62 179.704 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -147.37 153.46 44.23 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.38 1.05 . . . . 0.0 109.3 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -77.31 154.36 32.03 Favored 'Trans proline' 0 C--N 1.359 1.098 0 O-C-N 124.409 1.741 . . . . 0.0 111.241 -179.544 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.413 ' CG ' ' N ' ' A' ' 40' ' ' GLY . 81.5 tt0 -52.83 163.67 0.45 Allowed 'General case' 0 C--N 1.329 -0.316 0 O-C-N 124.7 1.25 . . . . 0.0 109.69 179.575 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.413 ' N ' ' CG ' ' A' ' 39' ' ' GLU . . . 108.41 -4.86 33.18 Favored Glycine 0 CA--C 1.527 0.823 0 N-CA-C 116.32 1.288 . . . . 0.0 116.32 178.448 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.0 p -87.48 160.51 47.79 Favored Pre-proline 0 C--O 1.238 0.453 0 C-N-CA 120.015 -0.674 . . . . 0.0 109.184 177.743 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -62.84 -97.24 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.097 0 O-C-N 124.265 1.666 . . . . 0.0 111.793 -179.557 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -151.18 170.36 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 123.907 0.754 . . . . 0.0 109.426 -178.345 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.8 p -73.65 91.75 1.9 Allowed 'General case' 0 CA--C 1.534 0.332 0 O-C-N 124.699 1.249 . . . . 0.0 108.529 177.415 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 85.7 mt -76.18 -66.92 0.74 Allowed 'General case' 0 C--O 1.239 0.542 0 CA-C-N 114.884 -1.053 . . . . 0.0 113.426 -177.3 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.65 153.49 2.33 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.468 -179.703 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.2 tp -98.17 87.64 3.98 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 114.841 -1.072 . . . . 0.0 109.708 -179.696 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -123.92 92.93 3.78 Favored 'General case' 0 CA--C 1.54 0.591 0 O-C-N 124.452 1.095 . . . . 0.0 109.106 179.36 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 68.3 m-85 -68.24 -27.15 66.11 Favored 'General case' 0 N--CA 1.451 -0.412 0 O-C-N 124.539 1.149 . . . . 0.0 112.588 -178.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -86.55 -12.76 47.84 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.608 1.192 . . . . 0.0 111.659 179.554 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 9.2 ttp180 -102.22 128.69 48.63 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 123.912 0.757 . . . . 0.0 109.852 -179.427 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 8.5 t -117.03 144.03 25.8 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.41 0 O-C-N 124.395 1.06 . . . . 0.0 109.239 179.342 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -120.65 134.8 55.25 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 114.607 -1.178 . . . . 0.0 109.765 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 14.4 t -125.01 142.1 42.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.694 1.246 . . . . 0.0 109.221 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 22.4 m-30 -116.72 140.89 48.9 Favored 'General case' 0 N--CA 1.451 -0.419 0 O-C-N 124.562 1.164 . . . . 0.0 112.027 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 17.3 p90 -134.1 168.09 19.45 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 114.912 -1.04 . . . . 0.0 110.165 179.426 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 15.4 t-20 -84.22 141.16 39.73 Favored Pre-proline 0 C--N 1.325 -0.461 0 CA-C-N 115.402 -0.817 . . . . 0.0 111.957 -178.388 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 28.9 Cg_endo -78.43 81.35 2.77 Favored 'Trans proline' 0 C--N 1.366 1.491 0 O-C-N 123.885 1.466 . . . . 0.0 113.841 -179.163 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 127.25 55.82 0.13 Allowed Glycine 0 CA--C 1.529 0.957 0 N-CA-C 116.159 1.224 . . . . 0.0 116.159 178.181 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER 168.05 -35.89 0.0 OUTLIER 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 123.745 0.818 . . . . 0.0 109.542 178.447 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 75.67 75.96 0.1 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 125.519 1.762 . . . . 0.0 109.114 -179.776 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 74.2 t -144.19 134.86 21.03 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.39 0 CA-C-N 114.502 -1.226 . . . . 0.0 109.085 179.644 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 69.3 t -82.31 89.02 2.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 O-C-N 124.435 1.084 . . . . 0.0 109.223 179.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 47.0 p30 -97.36 20.92 10.8 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.444 1.09 . . . . 0.0 110.577 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 48.5 m-70 -138.46 123.98 19.56 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.313 1.008 . . . . 0.0 109.467 179.682 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 20.4 t -60.88 113.55 8.03 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.19 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_endo -78.1 149.85 25.73 Favored 'Trans proline' 0 C--N 1.359 1.091 0 O-C-N 124.52 1.8 . . . . 0.0 110.657 179.565 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 3.4 p-80 -145.51 162.64 36.92 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.367 1.042 . . . . 0.0 110.309 -179.723 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 1.4 t -86.96 156.09 3.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 114.915 -1.039 . . . . 0.0 109.421 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 O-C-N 124.522 1.139 . . . . 0.0 111.109 -179.955 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 3.3 m . . . . . 0 N--CA 1.453 -0.302 0 CA-C-O 120.666 0.269 . . . . 0.0 110.337 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -77.73 -135.35 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.134 . . . . 0.0 109.766 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 84.8 m-85 57.15 -176.76 0.06 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 123.777 0.673 . . . . 0.0 111.128 -179.533 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -142.6 8.17 2.28 Favored Glycine 0 CA--C 1.528 0.891 0 O-C-N 124.425 1.078 . . . . 0.0 113.319 -178.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.7 t -52.54 155.63 2.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.31 0.653 . . . . 0.0 110.041 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -121.98 172.52 8.15 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.559 1.162 . . . . 0.0 109.807 179.646 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 16.3 mt 71.23 113.5 0.05 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.55 1.156 . . . . 0.0 109.561 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 9.8 mttt -75.56 87.58 2.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.382 1.051 . . . . 0.0 110.076 -179.488 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -151.42 148.55 28.24 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.096 -0.956 . . . . 0.0 109.333 -179.552 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -136.15 75.09 54.3 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.65 1.218 . . . . 0.0 111.049 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -70.78 -15.48 33.27 Favored 'Trans proline' 0 C--N 1.368 1.574 0 O-C-N 123.509 1.268 . . . . 0.0 113.146 -179.162 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 19.7 tp10 -75.1 -17.38 60.45 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.032 0.832 . . . . 0.0 111.683 -179.637 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 1.3 t -91.23 48.82 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.245 0.966 . . . . 0.0 109.737 -179.579 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 1.6 t -120.26 130.5 74.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.352 1.032 . . . . 0.0 109.289 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 102.29 -20.8 43.64 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.531 1.145 . . . . 0.0 111.198 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.0 mtmt -75.24 -159.2 0.09 Allowed 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.658 -0.867 . . . . 0.0 108.658 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 31.0 p -129.81 168.45 16.55 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.392 1.058 . . . . 0.0 109.878 179.423 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 26.3 t -48.0 -49.31 11.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.431 1.082 . . . . 0.0 112.154 -179.468 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -54.05 -41.09 67.73 Favored 'General case' 0 C--O 1.239 0.533 0 N-CA-C 113.217 0.821 . . . . 0.0 113.217 -178.465 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 19.0 mm-40 -64.28 -50.52 67.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.17 0.919 . . . . 0.0 110.213 -179.401 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.11 -6.29 16.93 Favored 'General case' 0 N--CA 1.452 -0.335 0 O-C-N 124.662 1.226 . . . . 0.0 113.284 -179.59 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 3.2 tpm_? -81.28 -47.42 13.37 Favored 'General case' 0 C--N 1.321 -0.663 0 O-C-N 124.904 1.377 . . . . 0.0 109.335 179.368 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -75.68 -23.13 56.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 114.48 -1.236 . . . . 0.0 110.346 179.676 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 41.0 t80 -68.55 -49.35 60.19 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.344 1.027 . . . . 0.0 111.808 -179.65 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -70.29 -25.22 63.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 111.097 -179.762 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 31.2 m -69.91 -30.26 67.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.35 1.031 . . . . 0.0 110.378 179.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 18.3 mt -85.21 -46.46 11.04 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 114.226 1.195 . . . . 0.0 114.226 -178.222 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 22.5 m-70 -85.94 -52.62 5.61 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.067 0.854 . . . . 0.0 113.108 -178.116 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 49.2 m-85 -119.31 76.1 16.84 Favored Pre-proline 0 C--N 1.323 -0.546 0 N-CA-C 114.022 1.119 . . . . 0.0 114.022 -178.416 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_endo -82.63 12.39 2.91 Favored 'Trans proline' 0 C--N 1.358 1.055 0 O-C-N 123.925 1.487 . . . . 0.0 112.595 179.714 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -123.86 23.48 8.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.316 1.01 . . . . 0.0 110.157 179.781 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 1.2 m-30 -121.87 133.73 54.87 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 114.957 -1.019 . . . . 0.0 110.068 179.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -86.9 94.85 9.7 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 177.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.9 t -84.77 149.49 4.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.537 1.148 . . . . 0.0 111.003 -179.114 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -133.14 162.16 32.48 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 114.864 -1.062 . . . . 0.0 110.47 179.388 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 28.4 m-85 -137.8 117.25 12.86 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.706 1.253 . . . . 0.0 111.088 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.7 mt -133.6 160.52 68.29 Favored Pre-proline 0 C--N 1.323 -0.544 0 O-C-N 124.196 0.935 . . . . 0.0 108.88 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -77.09 151.78 30.78 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.475 1.776 . . . . 0.0 111.46 -179.406 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.42 ' CG ' ' N ' ' A' ' 40' ' ' GLY . 83.8 tt0 -52.07 163.67 0.35 Allowed 'General case' 0 C--N 1.328 -0.329 0 O-C-N 124.758 1.286 . . . . 0.0 109.828 179.835 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.42 ' N ' ' CG ' ' A' ' 39' ' ' GLU . . . 109.99 -8.31 31.42 Favored Glycine 0 CA--C 1.527 0.805 0 N-CA-C 115.65 1.02 . . . . 0.0 115.65 178.554 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -89.09 154.31 49.43 Favored Pre-proline 0 C--O 1.238 0.494 0 C-N-CA 120.034 -0.666 . . . . 0.0 109.372 178.032 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 26.2 Cg_endo -60.68 -93.37 0.0 OUTLIER 'Trans proline' 0 C--N 1.358 1.067 0 O-C-N 124.075 1.566 . . . . 0.0 112.045 -179.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 1.1 p -151.69 -158.34 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 123.942 0.776 . . . . 0.0 109.037 -178.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -83.81 90.89 7.42 Favored 'General case' 0 N--CA 1.448 -0.542 0 O-C-N 124.983 1.427 . . . . 0.0 110.197 178.59 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 47.9 mt -72.92 -68.73 0.46 Allowed 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 115.012 -0.995 . . . . 0.0 111.949 -179.059 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -50.33 -30.98 13.3 Favored 'General case' 0 N--CA 1.447 -0.616 0 O-C-N 124.082 0.864 . . . . 0.0 110.849 -179.605 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.2 tp 64.11 99.14 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.31 1.006 . . . . 0.0 110.942 179.46 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.24 115.95 19.83 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 114.787 -1.097 . . . . 0.0 108.8 179.314 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -65.81 -40.94 92.33 Favored 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 114.559 1.318 . . . . 0.0 114.559 -177.569 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.9 p-10 -88.71 -12.98 40.76 Favored 'General case' 0 C--N 1.323 -0.575 0 O-C-N 124.783 1.302 . . . . 0.0 112.1 -179.415 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 8.7 ttm180 -97.87 114.4 26.45 Favored 'General case' 0 C--N 1.323 -0.584 0 O-C-N 124.117 0.885 . . . . 0.0 109.751 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.522 ' CG2' ' CG2' ' A' ' 69' ' ' VAL . 48.7 t -107.11 112.33 39.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.376 1.048 . . . . 0.0 110.345 -179.79 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 13.3 mtp180 -88.71 119.12 28.89 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.057 -0.974 . . . . 0.0 110.527 179.589 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 11.3 t -104.53 157.1 5.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.222 0.951 . . . . 0.0 110.126 -179.337 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -126.77 134.1 50.68 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 114.886 -1.052 . . . . 0.0 110.826 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 20.1 p90 -137.58 166.01 24.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.319 1.012 . . . . 0.0 110.365 179.713 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -92.68 123.62 61.21 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.511 -179.517 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_endo -81.3 10.37 3.46 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.345 1.708 . . . . 0.0 112.475 -179.582 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -89.22 -64.36 1.29 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.234 0.959 . . . . 0.0 110.925 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 14.9 t -112.09 5.57 18.7 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.496 0.762 . . . . 0.0 112.399 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 16.6 m-80 64.91 66.74 0.56 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 123.934 0.771 . . . . 0.0 109.478 179.693 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 23.0 t -145.34 135.71 18.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 O-C-N 124.497 1.123 . . . . 0.0 110.052 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 95.1 t -73.72 139.19 19.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.428 1.08 . . . . 0.0 109.034 179.141 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -148.02 29.48 0.89 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.446 1.091 . . . . 0.0 110.079 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 85.6 m-70 -148.51 125.65 11.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.372 1.045 . . . . 0.0 109.793 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 12.9 t -66.09 113.64 13.19 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.584 1.177 . . . . 0.0 109.141 179.774 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -83.6 141.79 10.05 Favored 'Trans proline' 0 C--N 1.359 1.096 0 O-C-N 124.504 1.792 . . . . 0.0 110.571 179.601 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 4.3 p-80 -147.88 163.64 36.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.315 1.009 . . . . 0.0 109.804 -179.766 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.522 ' CG2' ' CG2' ' A' ' 52' ' ' VAL . 1.5 t -85.1 146.84 6.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.346 1.029 . . . . 0.0 109.825 179.707 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.081 0 O-C-N 124.446 1.091 . . . . 0.0 110.957 179.988 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.451 -0.381 0 N-CA-C 112.272 0.471 . . . . 0.0 112.272 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -77.12 175.71 9.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.122 0.889 . . . . 0.0 110.248 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -160.0 -42.82 0.05 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 0.0 111.168 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 106.01 5.12 38.47 Favored Glycine 0 CA--C 1.528 0.897 0 O-C-N 124.44 1.087 . . . . 0.0 112.814 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.5 t -131.86 56.43 1.82 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.159 0.564 . . . . 0.0 109.85 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -143.7 94.65 2.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.215 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -53.53 119.12 4.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.361 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.1 mttp -65.68 117.92 8.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.359 1.037 . . . . 0.0 109.305 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 6.3 t -144.48 151.16 38.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.573 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -126.79 97.66 32.56 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.598 1.186 . . . . 0.0 111.233 -179.799 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 11.6 Cg_endo -71.58 -10.33 26.53 Favored 'Trans proline' 0 C--N 1.364 1.363 0 O-C-N 124.282 1.675 . . . . 0.0 112.851 -179.394 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.8 -7.2 51.27 Favored 'General case' 0 N--CA 1.449 -0.486 0 O-C-N 124.349 1.031 . . . . 0.0 111.52 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 3.9 t -103.8 30.82 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.095 0.872 . . . . 0.0 109.738 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.1 t -102.38 111.66 32.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 O-C-N 124.413 1.071 . . . . 0.0 109.272 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 121.05 -25.17 7.18 Favored Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.455 1.097 . . . . 0.0 111.472 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 56.4 mttt -77.54 162.05 27.42 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.482 0.754 . . . . 0.0 109.133 -179.294 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 80.9 p -96.65 171.99 8.19 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.065 0.853 . . . . 0.0 110.298 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 20.1 t -49.41 -59.07 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 111.667 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -49.29 -36.95 22.26 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.245 0.966 . . . . 0.0 111.459 -178.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 6.2 mm-40 -64.63 -51.51 62.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.345 1.028 . . . . 0.0 109.857 179.73 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.56 -2.08 15.7 Favored 'General case' 0 N--CA 1.453 -0.315 0 O-C-N 124.817 1.323 . . . . 0.0 112.945 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.26 -46.2 13.99 Favored 'General case' 0 C--N 1.321 -0.634 0 O-C-N 124.566 1.167 . . . . 0.0 109.389 179.771 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -73.72 -29.32 62.19 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 114.671 -1.15 . . . . 0.0 110.661 179.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -74.05 -48.22 31.42 Favored 'General case' 0 N--CA 1.451 -0.411 0 O-C-N 124.259 0.974 . . . . 0.0 112.126 -179.422 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -64.65 -25.03 67.78 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.523 1.139 . . . . 0.0 111.366 -179.799 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 29.7 m -77.68 -32.68 53.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.363 1.04 . . . . 0.0 112.363 -179.555 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 21.0 mt -84.57 -47.95 10.04 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 113.649 0.981 . . . . 0.0 113.649 -178.249 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 -86.0 -35.41 20.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.077 0.861 . . . . 0.0 112.795 -178.456 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 38.7 m-85 -121.99 55.87 6.53 Favored Pre-proline 0 C--N 1.324 -0.514 0 N-CA-C 113.545 0.943 . . . . 0.0 113.545 -178.564 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_endo -65.24 -27.02 56.35 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 123.977 1.514 . . . . 0.0 114.932 -178.579 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -94.56 19.36 9.9 Favored 'General case' 0 N--CA 1.449 -0.481 0 O-C-N 123.977 0.798 . . . . 0.0 112.223 -179.421 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . 0.258 0.6 OUTLIER -123.67 127.12 47.75 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 114.956 -1.02 . . . . 0.0 109.333 178.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -85.89 100.33 12.01 Favored 'General case' 0 C--N 1.322 -0.596 0 O-C-N 124.44 1.088 . . . . 0.0 108.665 178.69 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.1 t -86.18 144.04 10.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.384 1.053 . . . . 0.0 109.915 -179.567 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 2.6 m-30 -115.22 165.43 12.94 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.473 1.108 . . . . 0.0 110.528 179.219 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 -148.73 111.53 4.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.676 1.235 . . . . 0.0 110.837 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -144.03 174.93 3.12 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.338 1.024 . . . . 0.0 109.0 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 4.2 Cg_endo -72.31 160.96 45.75 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.573 1.828 . . . . 0.0 110.737 179.572 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.35 134.03 35.24 Favored 'General case' 0 C--N 1.323 -0.565 0 O-C-N 124.477 1.111 . . . . 0.0 111.632 -179.392 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 83.11 13.04 78.15 Favored Glycine 0 CA--C 1.528 0.868 0 O-C-N 124.241 0.963 . . . . 0.0 113.215 179.03 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.41 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 0.8 OUTLIER -88.15 -55.22 0.33 Allowed Pre-proline 0 N--CA 1.453 -0.296 0 O-C-N 124.421 0.718 . . . . 0.0 111.156 178.11 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.41 ' CD ' ' N ' ' A' ' 41' ' ' SER . 17.9 Cg_endo -81.31 -166.62 0.42 Allowed 'Trans proline' 0 C--N 1.358 1.033 0 O-C-N 124.135 1.598 . . . . 0.0 110.952 -179.633 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -134.9 -159.06 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.317 1.011 . . . . 0.0 109.117 179.79 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.4 p -80.87 97.0 7.2 Favored 'General case' 0 N--CA 1.449 -0.507 0 O-C-N 125.192 1.558 . . . . 0.0 111.011 179.199 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 38.3 mt -129.72 70.54 1.43 Allowed 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.018 0.823 . . . . 0.0 109.217 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.486 ' O ' ' OXT' ' A' ' 70' ' ' GLY . 4.2 p30 -90.53 20.84 4.3 Favored 'General case' 0 N--CA 1.446 -0.663 0 CA-C-N 114.721 -1.127 . . . . 0.0 110.906 -179.426 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -81.74 14.15 2.81 Favored 'General case' 0 N--CA 1.448 -0.527 0 O-C-N 124.004 0.815 . . . . 0.0 112.691 -178.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.0 93.86 2.98 Favored 'General case' 0 C--N 1.322 -0.588 0 O-C-N 123.794 0.684 . . . . 0.0 109.593 -179.398 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 52.8 m-85 -74.88 -22.64 58.53 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 115.105 -0.952 . . . . 0.0 111.124 -179.737 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 29.1 p-10 -87.53 -5.52 58.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.355 1.034 . . . . 0.0 111.475 177.808 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 7.0 ttm180 -117.41 117.81 30.49 Favored 'General case' 0 C--N 1.322 -0.593 0 O-C-N 123.84 0.712 . . . . 0.0 109.264 -179.084 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 1.4 t -103.09 118.23 49.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.393 1.058 . . . . 0.0 109.98 -179.548 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 14.0 mtp85 -87.5 135.55 33.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.269 0.981 . . . . 0.0 111.149 179.459 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 16.8 t -125.72 156.71 35.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.202 0.939 . . . . 0.0 109.639 -179.672 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -129.97 143.78 50.98 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.444 1.09 . . . . 0.0 111.487 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 11.5 p90 -144.38 168.09 20.91 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 114.85 -1.068 . . . . 0.0 110.364 179.585 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -84.97 136.78 38.18 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.405 1.066 . . . . 0.0 109.553 -179.658 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_endo -83.29 13.23 2.72 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.254 1.66 . . . . 0.0 112.479 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -120.65 -65.02 0.26 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.468 1.105 . . . . 0.0 111.949 -179.641 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 9.9 t -88.97 -9.61 50.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.415 0.715 . . . . 0.0 112.549 -179.37 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 10.9 m-80 58.74 63.34 1.69 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.26 0.975 . . . . 0.0 108.951 -179.608 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 88.4 t -140.22 152.01 21.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 O-C-N 124.642 1.214 . . . . 0.0 110.058 -179.583 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 31.7 t -84.14 113.43 22.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.314 1.009 . . . . 0.0 109.207 179.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 2.0 p30 -105.31 -42.61 5.21 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.598 1.186 . . . . 0.0 110.113 -179.814 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 16.4 m-70 -85.77 134.78 33.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.372 1.045 . . . . 0.0 110.055 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 45.5 t -65.87 115.81 26.37 Favored Pre-proline 0 C--N 1.327 -0.396 0 O-C-N 124.396 1.06 . . . . 0.0 109.46 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_endo -74.97 142.39 27.89 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.556 1.819 . . . . 0.0 110.836 179.509 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 1.2 p80 -149.4 163.26 38.24 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.416 1.072 . . . . 0.0 109.779 -179.719 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -87.41 145.76 7.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.47 1.106 . . . . 0.0 109.359 179.859 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . 0.486 ' OXT' ' O ' ' A' ' 46' ' ' ASP . . . . . . . . 0 CA--C 1.53 1.023 0 O-C-N 124.48 1.113 . . . . 0.0 110.967 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 35.5 p . . . . . 0 C--O 1.234 0.265 0 N-CA-C 109.769 -0.456 . . . . 0.0 109.769 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -136.23 -170.73 2.72 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.242 0.964 . . . . 0.0 110.145 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -112.16 -30.84 7.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.386 1.054 . . . . 0.0 112.479 -179.365 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -75.92 -11.13 84.91 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.397 1.061 . . . . 0.0 112.849 -179.465 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.4 t 48.38 23.7 0.61 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.401 0.706 . . . . 0.0 111.656 179.143 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -98.16 -176.53 3.45 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.283 0.989 . . . . 0.0 110.336 -179.762 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 9.4 mp -58.46 137.97 56.98 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.651 1.219 . . . . 0.0 109.205 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 12.4 mmmt -72.29 104.17 3.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.561 1.163 . . . . 0.0 109.444 -179.721 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 87.5 p -136.96 121.06 17.79 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.495 1.122 . . . . 0.0 109.691 179.801 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -126.72 97.11 33.8 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 111.028 -179.711 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_endo -75.34 -4.07 14.8 Favored 'Trans proline' 0 C--N 1.365 1.435 0 O-C-N 124.102 1.58 . . . . 0.0 112.985 -179.789 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -76.3 -14.94 60.09 Favored 'General case' 0 N--CA 1.448 -0.55 0 O-C-N 124.232 0.957 . . . . 0.0 112.258 -179.646 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 4.1 t -93.75 32.97 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 123.971 0.794 . . . . 0.0 109.996 -179.802 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 3.0 t -103.55 102.62 13.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.327 1.017 . . . . 0.0 109.027 179.735 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 127.65 -21.53 5.63 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.437 1.086 . . . . 0.0 111.561 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 16.3 mttm -75.37 162.16 28.63 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 -179.74 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 46.1 p -95.99 164.85 12.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.05 0.844 . . . . 0.0 110.555 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 12.1 t -49.23 -57.56 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.369 1.043 . . . . 0.0 111.4 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -51.2 -38.52 52.84 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.141 -0.936 . . . . 0.0 111.339 -179.019 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 21.2 mm-40 -63.5 -53.05 58.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 110.128 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.52 0.31 12.87 Favored 'General case' 0 C--N 1.327 -0.373 0 O-C-N 124.693 1.246 . . . . 0.0 112.988 -179.694 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 17.2 tpp85 -84.54 -46.46 11.57 Favored 'General case' 0 C--N 1.323 -0.576 0 O-C-N 124.418 1.074 . . . . 0.0 109.98 -179.621 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -75.15 -29.6 60.51 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 114.774 -1.103 . . . . 0.0 110.493 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 41.2 t80 -66.13 -48.24 71.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 111.006 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -71.47 -24.38 61.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.145 . . . . 0.0 111.846 -179.775 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 13.8 m -76.81 -33.51 57.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.267 0.979 . . . . 0.0 112.022 -179.444 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 10.3 mt -86.68 -47.31 9.26 Favored 'General case' 0 N--CA 1.45 -0.461 0 N-CA-C 113.792 1.034 . . . . 0.0 113.792 -178.278 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 81.1 m-70 -86.47 -31.97 21.06 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.097 0.873 . . . . 0.0 113.292 -177.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.476 ' CD1' ' N ' ' A' ' 29' ' ' TYR . 16.2 m-85 -124.61 63.38 36.6 Favored Pre-proline 0 C--O 1.24 0.578 0 N-CA-C 114.716 1.376 . . . . 0.0 114.716 -178.215 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_endo -72.22 -0.03 8.02 Favored 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 123.534 1.281 . . . . 0.0 113.129 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 7.8 pm0 -116.51 22.64 12.62 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.194 0.934 . . . . 0.0 110.461 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . 0.271 3.2 m-85 -128.31 123.08 33.11 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 114.885 -1.052 . . . . 0.0 110.125 -179.34 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -90.73 105.3 17.73 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.391 1.057 . . . . 0.0 108.797 179.004 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.4 t -86.93 150.05 3.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 O-C-N 124.418 1.073 . . . . 0.0 109.484 -179.498 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -126.0 103.25 7.64 Favored 'General case' 0 C--N 1.328 -0.354 0 O-C-N 124.299 1.0 . . . . 0.0 110.833 179.51 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 18.7 m-85 -92.11 120.69 32.95 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.387 1.054 . . . . 0.0 110.733 179.662 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 54.7 mt -147.2 161.31 36.95 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.25 0.969 . . . . 0.0 109.491 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 21.7 Cg_endo -76.68 137.36 18.03 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.465 1.771 . . . . 0.0 110.956 179.575 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.2 154.39 2.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 111.19 -179.882 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 86.97 3.91 82.52 Favored Glycine 0 CA--C 1.527 0.843 0 O-C-N 124.327 1.017 . . . . 0.0 113.149 179.706 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 51.8 m -105.66 69.41 0.2 Allowed Pre-proline 0 C--O 1.26 1.61 0 N-CA-C 116.346 1.98 . . . . 0.0 116.346 178.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 33.9 Cg_endo -70.98 141.42 40.23 Favored 'Trans proline' 0 C--N 1.36 1.154 0 C-N-CA 120.836 1.024 . . . . 0.0 110.672 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -148.5 -159.25 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.27 0.981 . . . . 0.0 108.736 179.85 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 17.2 p -78.17 118.92 20.87 Favored 'General case' 0 C--O 1.235 0.3 0 O-C-N 125.497 1.748 . . . . 0.0 109.721 178.027 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 20.0 mt -133.22 89.23 2.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.153 0.908 . . . . 0.0 109.618 -179.155 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -71.48 -169.98 0.47 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.439 1.087 . . . . 0.0 109.62 179.833 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 2.0 tt -85.62 78.79 9.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.268 0.98 . . . . 0.0 109.549 -179.687 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -90.58 117.89 29.61 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 114.864 -1.062 . . . . 0.0 110.183 -179.83 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 76.0 m-85 -83.29 -37.6 23.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.424 1.078 . . . . 0.0 111.682 -179.566 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 32.6 p-10 -95.65 -6.73 39.39 Favored 'General case' 0 C--N 1.323 -0.573 0 O-C-N 124.635 1.21 . . . . 0.0 112.485 -178.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 1.6 ttp180 -100.37 121.08 40.93 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.049 0.843 . . . . 0.0 110.129 -178.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.781 ' CG2' ' CG2' ' A' ' 69' ' ' VAL . 62.0 t -109.11 120.81 61.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 O-C-N 124.308 1.005 . . . . 0.0 110.558 -179.732 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.878 ' NH2' ' OXT' ' A' ' 70' ' ' GLY . 4.0 mtm180 -89.32 114.83 26.27 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 114.946 -1.025 . . . . 0.0 110.48 179.681 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 50.0 t -110.67 153.24 12.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.274 0.984 . . . . 0.0 110.048 -179.684 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -132.65 133.59 43.78 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 114.901 -1.045 . . . . 0.0 110.761 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.419 ' CD1' ' C ' ' A' ' 56' ' ' TYR . 3.6 p90 -137.08 167.28 21.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 110.805 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 -109.29 131.05 22.07 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.397 1.06 . . . . 0.0 109.565 -179.695 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 26.9 Cg_endo -79.06 -18.5 11.31 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.406 1.74 . . . . 0.0 111.748 179.606 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -50.19 -55.45 15.71 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.39 1.056 . . . . 0.0 111.57 -179.796 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 14.7 t -128.24 11.86 6.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.435 0.727 . . . . 0.0 112.063 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.6 m120 58.1 60.02 2.86 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 123.956 0.785 . . . . 0.0 109.916 179.567 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 53.7 t -142.54 147.73 20.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 O-C-N 124.428 1.08 . . . . 0.0 109.707 179.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 30.6 t -81.38 137.31 21.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.387 1.054 . . . . 0.0 110.037 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 30.1 p30 -143.91 26.91 1.51 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.453 1.095 . . . . 0.0 109.293 179.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 3.5 m-70 -141.54 128.9 21.17 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 114.886 -1.052 . . . . 0.0 109.114 179.688 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 83.9 t -58.92 111.44 3.69 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.759 1.287 . . . . 0.0 109.187 179.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_endo -82.02 95.42 0.9 Allowed 'Trans proline' 0 C--N 1.359 1.081 0 O-C-N 124.518 1.799 . . . . 0.0 111.388 -179.432 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -116.27 162.83 16.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.326 1.016 . . . . 0.0 109.492 179.849 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.781 ' CG2' ' CG2' ' A' ' 52' ' ' VAL . 65.3 t -100.06 158.76 3.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.554 1.159 . . . . 0.0 109.239 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . 0.878 ' OXT' ' NH2' ' A' ' 53' ' ' ARG . . . . . . . . 0 CA--C 1.531 1.062 0 O-C-N 124.418 1.074 . . . . 0.0 110.947 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 9.3 t . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 110.401 -0.222 . . . . 0.0 110.401 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -94.2 24.76 4.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 110.349 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . 0.44 ' N ' ' CD1' ' A' ' 3' ' ' PHE . 2.9 m-30 -104.83 175.54 5.46 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.491 1.119 . . . . 0.0 110.878 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 76.85 -3.31 56.97 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.434 1.084 . . . . 0.0 113.096 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.9 t 63.92 167.36 0.15 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.194 0.585 . . . . 0.0 110.659 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -92.45 73.15 5.2 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 114.932 -1.031 . . . . 0.0 110.446 -179.703 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -137.89 68.85 1.4 Allowed 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.407 1.067 . . . . 0.0 109.187 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.2 mtmp? -72.2 89.87 1.2 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.108 . . . . 0.0 109.77 -179.791 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 20.5 p -148.49 133.9 18.57 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.044 -0.98 . . . . 0.0 109.768 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -124.83 94.46 44.18 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.579 1.175 . . . . 0.0 111.013 -179.849 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 30.9 Cg_endo -77.48 -1.92 12.1 Favored 'Trans proline' 0 C--N 1.366 1.465 0 O-C-N 123.917 1.483 . . . . 0.0 113.114 -179.642 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -74.63 -21.42 59.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.267 0.98 . . . . 0.0 110.199 -179.486 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 3.4 t -90.73 44.92 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.457 1.098 . . . . 0.0 109.703 -179.738 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.1 t -111.37 111.04 34.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.138 179.773 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 118.99 -19.44 10.18 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.452 1.095 . . . . 0.0 111.483 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 10.5 mttt -73.11 -164.32 0.17 Allowed 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 72.9 p -127.59 168.21 15.3 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.503 1.127 . . . . 0.0 110.079 179.764 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 17.0 t -50.26 -59.77 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.454 1.097 . . . . 0.0 111.237 -179.756 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -51.59 -34.78 38.63 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.15 -0.932 . . . . 0.0 110.828 -179.107 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.95 -52.8 58.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.452 1.095 . . . . 0.0 109.72 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.62 -0.76 13.82 Favored 'General case' 0 C--N 1.328 -0.368 0 O-C-N 124.64 1.213 . . . . 0.0 113.061 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -83.4 -45.89 13.16 Favored 'General case' 0 C--N 1.322 -0.607 0 O-C-N 124.507 1.129 . . . . 0.0 109.785 -179.838 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -75.4 -25.18 57.4 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 114.76 -1.109 . . . . 0.0 110.596 -179.804 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 14.2 t80 -67.98 -53.86 22.89 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.402 1.064 . . . . 0.0 111.475 -179.801 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -67.81 -22.51 65.16 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.548 1.155 . . . . 0.0 112.046 -179.554 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 16.6 m -75.98 -32.86 59.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.34 1.025 . . . . 0.0 111.748 -179.649 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 16.2 mt -87.09 -45.64 10.53 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 113.734 1.013 . . . . 0.0 113.734 -178.304 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 11.8 m170 -84.45 -41.2 16.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.137 0.898 . . . . 0.0 113.005 -178.396 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 40.2 m-85 -124.41 66.04 43.27 Favored Pre-proline 0 C--O 1.241 0.646 0 N-CA-C 114.785 1.402 . . . . 0.0 114.785 -178.211 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -74.45 2.75 5.97 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 123.485 1.255 . . . . 0.0 113.338 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -112.79 21.27 15.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.302 1.001 . . . . 0.0 110.602 179.622 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . 0.26 3.4 m-85 -125.53 131.22 52.82 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 114.99 -1.005 . . . . 0.0 110.159 -179.779 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -89.09 97.63 11.31 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.353 1.033 . . . . 0.0 108.318 178.366 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 4.0 t -84.84 149.74 4.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.609 1.193 . . . . 0.0 110.93 -179.157 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 31.4 m-85 -142.09 123.47 14.84 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 114.758 -1.11 . . . . 0.0 110.451 179.586 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 49.9 m-85 -99.88 130.92 46.11 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.331 1.019 . . . . 0.0 111.439 -179.521 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.496 ' CB ' ' CD ' ' A' ' 38' ' ' PRO . 0.7 OUTLIER -129.55 178.32 1.75 Allowed Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.196 0.935 . . . . 0.0 108.562 179.093 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.496 ' CD ' ' CB ' ' A' ' 37' ' ' LEU . 4.3 Cg_endo -69.91 159.27 53.89 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.455 1.766 . . . . 0.0 110.883 179.64 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.2 pp20? -79.91 132.13 36.0 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 114.827 -1.079 . . . . 0.0 112.586 -179.263 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 71.5 15.34 75.22 Favored Glycine 0 CA--C 1.529 0.965 0 CA-C-N 115.115 -0.948 . . . . 0.0 113.259 178.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 80.5 p -98.75 123.17 50.64 Favored Pre-proline 0 C--O 1.255 1.363 0 CA-C-O 117.475 -1.25 . . . . 0.0 108.884 178.04 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -71.82 155.98 57.45 Favored 'Trans proline' 0 C--N 1.358 1.063 0 O-C-N 123.652 1.343 . . . . 0.0 110.381 179.503 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -149.6 -160.02 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.278 0.987 . . . . 0.0 109.161 -179.71 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.7 p -79.68 102.35 8.91 Favored 'General case' 0 N--CA 1.453 -0.322 0 O-C-N 125.265 1.603 . . . . 0.0 109.623 177.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -91.41 52.58 2.11 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.328 1.018 . . . . 0.0 110.663 -178.811 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -72.27 -152.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.393 1.058 . . . . 0.0 109.156 179.603 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 8.3 tp -127.82 81.7 2.04 Favored 'General case' 0 N--CA 1.45 -0.437 0 O-C-N 124.143 0.902 . . . . 0.0 112.653 -179.047 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.729 ' CB ' ' OXT' ' A' ' 70' ' ' GLY . 5.2 mtt180 -93.91 124.17 37.74 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.052 -0.976 . . . . 0.0 109.13 179.046 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -83.5 -43.39 15.81 Favored 'General case' 0 CA--C 1.536 0.414 0 O-C-N 124.317 1.011 . . . . 0.0 112.443 -178.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 -95.01 -7.2 40.4 Favored 'General case' 0 C--N 1.323 -0.582 0 O-C-N 124.828 1.33 . . . . 0.0 112.449 -178.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 1.2 ttm180 -102.32 131.58 48.84 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.093 0.871 . . . . 0.0 112.021 -178.468 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.673 ' CG2' ' CG2' ' A' ' 69' ' ' VAL . 55.6 t -117.28 146.45 21.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.37 1.044 . . . . 0.0 108.828 179.029 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.05 138.41 54.19 Favored 'General case' 0 C--N 1.323 -0.568 0 O-C-N 124.624 1.202 . . . . 0.0 110.113 -179.606 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 8.0 t -130.97 157.49 43.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.591 1.182 . . . . 0.0 109.802 -179.688 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 29.1 m-85 -127.11 140.23 52.41 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.421 1.076 . . . . 0.0 110.821 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.441 ' CD1' ' C ' ' A' ' 56' ' ' TYR . 6.4 p90 -145.52 165.52 28.37 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.646 1.216 . . . . 0.0 110.64 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -92.95 124.46 58.31 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.498 1.124 . . . . 0.0 109.481 -179.522 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 21.8 Cg_endo -77.65 6.01 4.8 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.326 1.698 . . . . 0.0 112.775 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -87.87 -73.67 1.28 Allowed Glycine 0 CA--C 1.529 0.966 0 N-CA-C 110.761 -0.936 . . . . 0.0 110.761 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 14.7 t -96.1 2.49 53.26 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.495 0.762 . . . . 0.0 112.38 179.593 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.9 m120 61.86 63.28 1.14 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 123.923 0.765 . . . . 0.0 109.776 179.682 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 53.8 t -142.41 141.61 27.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 O-C-N 124.46 1.1 . . . . 0.0 109.999 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 67.9 t -80.99 139.77 17.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 115.014 -0.994 . . . . 0.0 109.252 179.774 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 27.0 p30 -142.11 24.28 1.99 Allowed 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.508 1.13 . . . . 0.0 110.151 -179.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 78.9 m-70 -148.15 135.19 20.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.406 1.066 . . . . 0.0 109.676 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 13.4 t -66.48 114.88 19.24 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.605 1.191 . . . . 0.0 109.053 179.722 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 28.7 Cg_endo -76.34 113.35 3.66 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.502 1.791 . . . . 0.0 111.059 -179.536 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 2.1 p80 -109.99 163.17 13.82 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.435 1.084 . . . . 0.0 109.732 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.673 ' CG2' ' CG2' ' A' ' 52' ' ' VAL . 43.3 t -85.78 143.07 12.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.594 1.184 . . . . 0.0 109.005 179.497 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . 0.729 ' OXT' ' CB ' ' A' ' 48' ' ' ARG . . . . . . . . 0 CA--C 1.529 0.949 0 O-C-N 124.379 1.049 . . . . 0.0 110.981 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 1.7 m . . . . . 0 C--O 1.234 0.248 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -145.37 72.28 1.31 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.297 0.998 . . . . 0.0 110.258 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 4.9 m-30 -60.0 -33.97 72.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 111.039 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 80.14 5.74 89.51 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.448 1.092 . . . . 0.0 112.83 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.1 t -72.25 136.49 46.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.086 0.521 . . . . 0.0 110.415 -179.758 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -140.52 126.01 18.96 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.401 1.063 . . . . 0.0 109.888 179.785 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -112.83 33.74 4.83 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.531 1.144 . . . . 0.0 110.152 -179.676 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 18.9 mmtp -77.53 86.79 3.87 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.515 1.134 . . . . 0.0 109.147 -179.627 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 63.8 m -149.62 151.06 33.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.362 1.039 . . . . 0.0 110.387 -179.493 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -139.77 99.24 7.64 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.431 1.082 . . . . 0.0 110.754 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 29.3 Cg_endo -75.88 1.95 7.58 Favored 'Trans proline' 0 C--N 1.364 1.37 0 O-C-N 124.159 1.61 . . . . 0.0 112.839 -179.496 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -75.5 -24.13 56.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.206 0.941 . . . . 0.0 110.933 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -100.12 37.24 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.323 1.014 . . . . 0.0 109.284 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 4.0 t -102.71 101.83 12.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.456 1.097 . . . . 0.0 109.376 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 126.0 -20.35 6.36 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.532 1.145 . . . . 0.0 111.507 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.0 mttm -76.52 161.07 28.92 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 -179.486 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -93.36 166.62 12.2 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.061 0.851 . . . . 0.0 109.852 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 22.8 t -45.2 -62.84 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.497 0 O-C-N 124.094 0.871 . . . . 0.0 112.444 -179.657 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -50.54 -37.27 38.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 123.967 0.792 . . . . 0.0 111.62 -179.016 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 9.0 mm100 -64.96 -49.68 69.37 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.329 1.018 . . . . 0.0 110.467 -179.698 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.26 -3.46 17.22 Favored 'General case' 0 C--N 1.328 -0.33 0 O-C-N 124.584 1.178 . . . . 0.0 112.98 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.495 ' NH2' ' CE2' ' A' ' 36' ' ' PHE . 0.6 OUTLIER -83.53 -46.69 12.14 Favored 'General case' 0 C--N 1.322 -0.627 0 O-C-N 124.652 1.22 . . . . 0.0 109.603 179.801 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -69.03 -25.85 64.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 114.728 -1.124 . . . . 0.0 110.247 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 75.2 t80 -74.23 -48.75 26.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.405 1.066 . . . . 0.0 111.387 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -73.56 -22.16 60.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 111.877 -179.458 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 3.0 m -75.47 -33.51 60.84 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.324 1.015 . . . . 0.0 111.536 -179.706 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 17.5 mt -85.45 -45.39 11.88 Favored 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 114.234 1.198 . . . . 0.0 114.234 -178.159 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 12.0 m-70 -84.91 -39.77 17.8 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.113 0.883 . . . . 0.0 113.364 -178.121 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 33.1 m-85 -119.38 75.51 16.89 Favored Pre-proline 0 C--N 1.323 -0.583 0 N-CA-C 114.524 1.305 . . . . 0.0 114.524 -178.732 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 10.7 Cg_endo -76.23 5.41 4.61 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 123.689 1.362 . . . . 0.0 113.388 179.773 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -121.68 17.3 11.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.408 1.068 . . . . 0.0 111.384 179.792 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . 0.255 1.1 m-30 -123.39 118.39 27.37 Favored 'General case' 0 C--N 1.321 -0.649 0 O-C-N 124.174 0.921 . . . . 0.0 109.742 179.544 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -89.91 108.39 19.68 Favored 'General case' 0 C--N 1.323 -0.571 0 O-C-N 124.436 1.085 . . . . 0.0 108.273 178.658 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.7 t -85.86 148.14 4.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 0.0 110.728 -179.232 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 32.0 m-85 -129.65 123.63 31.68 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 114.682 -1.144 . . . . 0.0 109.95 179.228 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.495 ' CE2' ' NH2' ' A' ' 22' ' ' ARG . 55.1 m-85 -92.01 127.31 37.43 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.54 1.15 . . . . 0.0 111.533 -179.474 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.3 mp -134.19 152.2 77.83 Favored Pre-proline 0 C--N 1.324 -0.535 0 O-C-N 124.212 0.945 . . . . 0.0 108.513 179.548 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -89.29 58.1 2.08 Favored 'Trans proline' 0 C--N 1.357 0.976 0 O-C-N 124.648 1.867 . . . . 0.0 112.116 -179.128 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -175.48 143.08 0.62 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.366 1.041 . . . . 0.0 111.721 179.574 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -118.44 21.31 9.98 Favored Glycine 0 CA--C 1.528 0.885 0 CA-C-N 114.729 -1.123 . . . . 0.0 112.46 -179.547 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.2 p -87.51 160.44 47.84 Favored Pre-proline 0 N--CA 1.453 -0.289 0 C-N-CA 120.194 -0.602 . . . . 0.0 110.108 178.374 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 8.9 Cg_endo -52.81 161.3 3.24 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.29 1.679 . . . . 0.0 111.424 -179.738 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -149.3 -159.14 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 114.73 -1.123 . . . . 0.0 108.747 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -92.11 92.45 8.25 Favored 'General case' 0 N--CA 1.449 -0.504 0 O-C-N 124.921 1.388 . . . . 0.0 109.592 178.039 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.0 mt -90.41 82.04 5.95 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.443 1.089 . . . . 0.0 110.029 -179.239 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -89.14 19.29 4.35 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 114.97 -1.014 . . . . 0.0 111.212 -179.281 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.9 tp 63.92 96.57 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.395 0 O-C-N 123.974 0.796 . . . . 0.0 110.271 179.548 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 7.4 mtt85 -131.17 99.72 4.96 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 114.734 -1.121 . . . . 0.0 109.416 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 68.5 m-85 -71.58 -20.69 61.97 Favored 'General case' 0 N--CA 1.451 -0.398 0 O-C-N 124.311 1.007 . . . . 0.0 113.151 -178.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 -91.26 -6.63 52.96 Favored 'General case' 0 C--N 1.323 -0.568 0 O-C-N 124.382 1.051 . . . . 0.0 112.282 -179.739 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 5.6 ttm180 -130.41 121.28 25.63 Favored 'General case' 0 C--N 1.322 -0.615 0 O-C-N 124.202 0.939 . . . . 0.0 111.171 -177.489 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 54.3 t -113.92 129.64 69.46 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.344 0 O-C-N 124.104 0.878 . . . . 0.0 109.1 179.281 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 45.2 mtt-85 -90.2 147.09 23.78 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 114.9 -1.046 . . . . 0.0 111.877 -179.612 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.413 ' C ' ' CD1' ' A' ' 55' ' ' PHE . 38.9 t -142.12 144.85 24.65 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.367 0 CA-C-N 115.159 -0.928 . . . . 0.0 109.49 179.691 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.433 ' CD1' ' N ' ' A' ' 55' ' ' PHE . 0.8 OUTLIER -124.82 133.65 53.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.33 1.019 . . . . 0.0 111.117 -179.51 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 11.3 p90 -145.12 167.66 22.2 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.36 1.037 . . . . 0.0 110.286 179.731 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -85.72 147.94 47.47 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.23 0.956 . . . . 0.0 110.112 -179.353 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_endo -86.21 -32.09 0.26 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.155 1.608 . . . . 0.0 113.114 -179.071 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -99.44 33.23 6.36 Favored Glycine 0 CA--C 1.528 0.86 0 O-C-N 124.133 0.896 . . . . 0.0 113.609 -178.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -172.41 -41.43 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 O-C-N 124.483 0.755 . . . . 0.0 111.411 179.232 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 78.05 66.49 0.04 OUTLIER 'General case' 0 N--CA 1.45 -0.47 0 O-C-N 124.226 0.954 . . . . 0.0 110.606 -179.794 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 72.7 t -143.23 141.16 26.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 O-C-N 124.384 1.052 . . . . 0.0 108.925 179.047 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 85.0 t -82.95 99.16 5.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 O-C-N 124.568 1.167 . . . . 0.0 109.079 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 3.5 p30 -109.92 30.27 6.86 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.531 1.144 . . . . 0.0 109.812 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 32.1 m80 -146.19 136.04 23.4 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.305 1.003 . . . . 0.0 109.218 179.444 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 79.6 t -63.49 113.98 11.53 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.755 1.284 . . . . 0.0 109.093 179.65 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 30.7 Cg_endo -76.96 144.17 23.8 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.445 1.76 . . . . 0.0 111.043 -179.54 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 1.6 p80 -149.39 163.74 36.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.423 1.077 . . . . 0.0 109.716 -179.637 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 1.9 t -85.7 160.7 3.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.398 1.061 . . . . 0.0 109.478 179.74 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.973 0 O-C-N 124.485 1.116 . . . . 0.0 111.101 -179.966 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 22.4 p . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.392 -0.225 . . . . 0.0 110.392 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 4.6 mp0 -52.95 162.1 0.68 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.47 1.106 . . . . 0.0 110.343 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 73.4 m-85 -120.98 -65.5 1.14 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.099 . . . . 0.0 111.097 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 129.81 3.36 5.01 Favored Glycine 0 CA--C 1.529 0.914 0 O-C-N 124.579 1.174 . . . . 0.0 113.002 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.3 t -56.2 -19.52 14.12 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.104 0.532 . . . . 0.0 110.957 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -76.15 -174.41 2.74 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.251 0.97 . . . . 0.0 110.212 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 10.9 mp -69.31 91.58 0.55 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 114.382 -1.281 . . . . 0.0 109.522 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.6 mttt -57.1 125.99 25.19 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.559 1.162 . . . . 0.0 109.432 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -140.85 145.67 36.53 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.517 1.136 . . . . 0.0 109.923 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.467 ' CD1' ' N ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -127.76 102.42 22.51 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.441 1.088 . . . . 0.0 110.681 179.954 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -71.97 -10.12 25.67 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.345 1.708 . . . . 0.0 112.685 -179.062 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -74.89 1.9 11.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.052 0.845 . . . . 0.0 112.534 -179.814 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 16.5 t -103.56 -9.15 9.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 123.951 0.782 . . . . 0.0 111.62 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 5.4 t -72.24 101.76 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 123.895 0.747 . . . . 0.0 109.704 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 134.16 -25.46 3.49 Favored Glycine 0 CA--C 1.527 0.838 0 O-C-N 124.407 1.067 . . . . 0.0 112.795 179.54 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.8 mtmt -78.24 165.75 23.53 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 -179.217 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -99.52 163.67 12.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.44 1.087 . . . . 0.0 109.638 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.3 t -45.47 -60.75 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 N-CA-C 113.612 0.967 . . . . 0.0 113.612 -179.156 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -55.47 -33.14 63.39 Favored 'General case' 0 C--O 1.239 0.523 0 N-CA-C 112.689 0.625 . . . . 0.0 112.689 -178.199 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 8.3 mm100 -64.43 -52.12 59.7 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.337 1.023 . . . . 0.0 109.475 179.794 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.23 -1.34 14.81 Favored 'General case' 0 C--N 1.327 -0.37 0 O-C-N 124.634 1.209 . . . . 0.0 112.984 179.776 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.8 tpp85 -83.09 -45.56 13.83 Favored 'General case' 0 C--N 1.32 -0.684 0 O-C-N 124.561 1.163 . . . . 0.0 109.721 -179.788 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -73.82 -28.34 61.57 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 114.727 -1.124 . . . . 0.0 110.826 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 68.5 t80 -70.83 -48.37 54.38 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.433 1.083 . . . . 0.0 112.019 -179.744 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 11.6 m-30 -72.58 -20.27 61.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.319 1.012 . . . . 0.0 112.633 -179.278 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 3.9 m -77.4 -34.72 54.73 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.304 1.002 . . . . 0.0 112.069 -179.339 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 16.1 mt -87.65 -45.74 10.13 Favored 'General case' 0 N--CA 1.449 -0.484 0 O-C-N 124.275 0.984 . . . . 0.0 113.219 -178.41 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 14.4 m-70 -85.48 -36.06 20.81 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.259 0.974 . . . . 0.0 112.996 -178.39 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 10.3 m-85 -120.93 53.7 3.48 Favored Pre-proline 0 C--N 1.324 -0.52 0 N-CA-C 114.194 1.183 . . . . 0.0 114.194 -178.396 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -66.43 -18.72 55.16 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 123.992 1.522 . . . . 0.0 114.256 -179.002 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 8.4 pm0 -90.81 15.1 11.87 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 123.988 0.805 . . . . 0.0 112.403 -179.238 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . 0.263 1.0 OUTLIER -124.97 126.6 45.72 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.272 -0.876 . . . . 0.0 109.293 179.633 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 13.1 t0 -86.3 100.87 12.59 Favored 'General case' 0 C--N 1.322 -0.6 0 O-C-N 124.528 1.143 . . . . 0.0 108.224 178.103 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 3.5 t -83.97 150.07 4.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.605 1.191 . . . . 0.0 110.452 -179.53 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -142.25 126.8 17.87 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 114.818 -1.083 . . . . 0.0 110.479 179.337 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -102.81 133.3 48.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.371 1.044 . . . . 0.0 111.121 -179.757 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -148.52 164.72 20.43 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.393 1.058 . . . . 0.0 109.329 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 4.6 Cg_endo -72.87 151.51 51.07 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.302 1.685 . . . . 0.0 110.816 -179.715 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.536 ' CB ' ' CE1' ' A' ' 65' ' ' HIS . 6.8 tp10 -80.17 157.42 26.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 110.115 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 86.41 -13.34 58.21 Favored Glycine 0 CA--C 1.528 0.893 0 O-C-N 124.389 1.056 . . . . 0.0 112.468 -179.799 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 12.7 t -105.76 69.55 0.21 Allowed Pre-proline 0 C--O 1.259 1.595 0 N-CA-C 115.668 1.729 . . . . 0.0 115.668 179.034 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -67.2 168.55 17.31 Favored 'Trans proline' 0 C--N 1.358 1.045 0 C-N-CA 120.664 0.909 . . . . 0.0 110.357 -179.448 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -148.69 -159.32 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.412 1.07 . . . . 0.0 109.01 -179.885 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.0 p -79.64 113.03 17.47 Favored 'General case' 0 N--CA 1.453 -0.31 0 O-C-N 125.343 1.652 . . . . 0.0 109.791 178.099 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 74.0 mt -116.38 93.51 4.26 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.11 0.881 . . . . 0.0 108.966 -179.42 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -90.94 32.61 0.99 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 114.599 -1.182 . . . . 0.0 111.466 -178.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 2.0 tp 64.66 103.25 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.385 0 O-C-N 123.94 0.775 . . . . 0.0 111.717 179.211 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 2.6 mtt180 -125.81 94.38 4.1 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 114.91 -1.041 . . . . 0.0 109.073 179.174 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 39.0 m-85 -69.38 -26.58 64.72 Favored 'General case' 0 C--N 1.328 -0.344 0 O-C-N 124.418 1.074 . . . . 0.0 112.043 -178.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 34.4 p-10 -87.92 -10.92 49.14 Favored 'General case' 0 C--N 1.323 -0.574 0 O-C-N 124.545 1.153 . . . . 0.0 111.627 179.348 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 3.2 ttp180 -110.27 126.19 53.91 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 123.962 0.789 . . . . 0.0 110.32 -179.721 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 93.1 t -114.1 105.3 18.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.318 1.011 . . . . 0.0 110.062 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 42.8 mtm-85 -88.61 130.19 35.33 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 114.828 -1.078 . . . . 0.0 110.928 179.719 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 2.6 t -115.04 160.72 14.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.155 0.909 . . . . 0.0 109.537 -179.766 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -128.3 134.31 48.89 Favored 'General case' 0 C--N 1.327 -0.39 0 O-C-N 124.449 1.093 . . . . 0.0 111.073 179.814 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 14.7 p90 -135.84 166.66 22.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.339 1.024 . . . . 0.0 110.05 179.492 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -86.62 133.72 39.3 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.332 1.02 . . . . 0.0 110.128 -179.406 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 27.6 Cg_endo -77.82 6.4 4.58 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.311 1.69 . . . . 0.0 112.629 179.472 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -94.85 -65.31 0.99 Allowed Glycine 0 CA--C 1.528 0.897 0 O-C-N 124.156 0.91 . . . . 0.0 112.006 -179.574 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 11.2 t -110.82 16.49 21.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.412 0.713 . . . . 0.0 111.725 -179.383 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 10.5 m120 53.68 25.68 5.21 Favored 'General case' 0 C--O 1.239 0.501 0 CA-C-N 115.856 -0.611 . . . . 0.0 112.51 178.44 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 82.9 t -100.94 145.67 10.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.141 0.901 . . . . 0.0 110.734 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 25.1 t -81.49 132.47 31.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 114.797 -1.092 . . . . 0.0 109.678 179.765 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 35.2 p30 -143.95 26.81 1.51 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.582 1.176 . . . . 0.0 109.273 179.763 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . 0.536 ' CE1' ' CB ' ' A' ' 39' ' ' GLU . 38.2 m80 -135.9 123.58 22.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.388 1.055 . . . . 0.0 109.322 179.551 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 76.2 t -57.94 111.01 2.95 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.776 1.298 . . . . 0.0 109.206 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_endo -81.55 142.51 13.04 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.556 1.819 . . . . 0.0 110.641 -179.625 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 8.9 p80 -143.88 162.2 36.73 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.369 1.043 . . . . 0.0 110.201 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 9.5 t -85.03 140.79 15.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.709 1.256 . . . . 0.0 108.67 179.226 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.068 0 O-C-N 124.315 1.01 . . . . 0.0 110.883 -179.767 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 65.4 p . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 110.34 -0.244 . . . . 0.0 110.34 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -146.58 27.45 1.11 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 110.219 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 10.7 m-85 -61.47 -31.45 71.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.14 . . . . 0.0 111.001 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 126.89 4.12 6.18 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.407 1.067 . . . . 0.0 112.943 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.9 t -151.65 137.41 17.97 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.205 0.591 . . . . 0.0 110.047 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 44.9 mm-40 -116.1 -177.34 3.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.409 1.068 . . . . 0.0 110.183 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 74.29 85.08 0.1 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.621 1.201 . . . . 0.0 109.265 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 25.4 mmtm -58.38 124.59 20.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.435 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 96.7 p -145.12 143.47 30.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.142 . . . . 0.0 109.978 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -123.09 97.47 43.35 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.581 1.176 . . . . 0.0 110.706 179.739 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 11.5 Cg_endo -71.53 -9.98 26.02 Favored 'Trans proline' 0 C--N 1.364 1.361 0 O-C-N 124.344 1.708 . . . . 0.0 112.618 -179.317 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -72.14 -22.5 61.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.214 0.946 . . . . 0.0 110.583 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 3.5 t -91.14 46.06 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.445 1.091 . . . . 0.0 109.638 -179.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.1 t -116.05 120.07 63.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.472 1.108 . . . . 0.0 109.045 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 105.71 -23.05 30.66 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.529 1.143 . . . . 0.0 110.634 -179.551 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 22.2 mttm -71.53 162.66 29.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.711 0.889 . . . . 0.0 108.64 179.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -100.07 164.09 12.14 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.039 0.837 . . . . 0.0 110.254 -179.394 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 94.4 t -46.89 -59.43 0.67 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.551 0 O-C-N 124.206 0.941 . . . . 0.0 112.013 179.639 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -49.32 -39.35 30.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.241 0.963 . . . . 0.0 111.42 -179.004 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 8.7 mm100 -64.71 -50.76 65.67 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.327 1.017 . . . . 0.0 110.071 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.66 -3.14 16.93 Favored 'General case' 0 N--CA 1.452 -0.326 0 O-C-N 124.74 1.275 . . . . 0.0 113.0 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.26 -46.18 14.02 Favored 'General case' 0 C--N 1.322 -0.624 0 O-C-N 124.704 1.252 . . . . 0.0 109.45 179.664 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -71.53 -26.17 62.54 Favored 'General case' 0 C--N 1.328 -0.354 0 O-C-N 124.55 1.156 . . . . 0.0 109.982 179.752 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 74.6 t80 -74.76 -50.41 17.45 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.349 1.031 . . . . 0.0 111.221 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -68.63 -24.42 64.56 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.408 1.068 . . . . 0.0 111.76 -179.643 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 3.9 m -76.19 -33.65 59.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.242 0.964 . . . . 0.0 111.849 -179.678 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 19.8 mt -85.87 -47.92 9.23 Favored 'General case' 0 N--CA 1.45 -0.443 0 N-CA-C 114.078 1.14 . . . . 0.0 114.078 -178.122 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 30.1 m-70 -86.05 -32.53 21.38 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 123.976 0.798 . . . . 0.0 113.005 -178.02 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.446 ' N ' ' CD1' ' A' ' 29' ' ' TYR . 18.9 m-85 -124.19 62.88 30.9 Favored Pre-proline 0 C--O 1.241 0.634 0 N-CA-C 114.494 1.294 . . . . 0.0 114.494 -178.366 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -72.49 0.38 7.59 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 123.57 1.3 . . . . 0.0 112.982 179.609 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 9.0 pm0 -117.36 22.92 12.14 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.167 0.917 . . . . 0.0 110.417 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . 0.272 3.3 m-85 -128.97 125.86 38.34 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 114.824 -1.08 . . . . 0.0 109.999 -179.309 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -90.95 102.16 14.92 Favored 'General case' 0 C--N 1.323 -0.58 0 O-C-N 124.268 0.98 . . . . 0.0 108.765 179.134 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.6 t -86.74 150.82 3.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.52 -179.435 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -137.25 117.82 13.88 Favored 'General case' 0 C--N 1.328 -0.35 0 O-C-N 124.412 1.07 . . . . 0.0 110.937 179.681 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 48.1 m-85 -97.97 123.7 42.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.241 0.963 . . . . 0.0 110.5 179.741 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -149.08 164.74 19.88 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.276 0.985 . . . . 0.0 109.525 -179.526 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -71.49 142.7 41.11 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.41 1.742 . . . . 0.0 110.629 179.456 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -63.39 170.59 2.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.599 1.187 . . . . 0.0 110.594 -179.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 108.01 -16.26 36.22 Favored Glycine 0 CA--C 1.528 0.884 0 O-C-N 124.329 1.018 . . . . 0.0 112.434 179.466 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 70.8 m -104.94 68.6 0.16 Allowed Pre-proline 0 C--O 1.26 1.623 0 N-CA-C 117.959 2.577 . . . . 0.0 117.959 179.424 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo -72.52 136.12 25.47 Favored 'Trans proline' 0 C--N 1.36 1.169 0 C-N-CA 121.078 1.185 . . . . 0.0 110.823 179.53 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -144.4 168.25 10.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.34 1.025 . . . . 0.0 109.047 -179.829 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.1 p -76.94 88.95 3.5 Favored 'General case' 0 CA--C 1.534 0.329 0 O-C-N 124.895 1.372 . . . . 0.0 109.191 178.206 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 18.0 mt -98.29 61.69 1.45 Allowed 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 114.821 -1.081 . . . . 0.0 110.715 -178.742 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -111.29 -42.14 3.98 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 114.989 -1.005 . . . . 0.0 109.833 -179.269 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 42.7 tp -59.48 -47.36 85.8 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 115.227 -0.897 . . . . 0.0 113.146 -178.627 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 3.0 mmp_? -88.04 85.33 6.95 Favored 'General case' 0 C--N 1.322 -0.59 0 O-C-N 123.907 0.754 . . . . 0.0 112.439 -179.194 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 18.4 m-85 -78.83 -21.8 47.1 Favored 'General case' 0 N--CA 1.451 -0.392 0 O-C-N 124.207 0.942 . . . . 0.0 110.832 179.502 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -87.53 -12.99 44.21 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.557 1.161 . . . . 0.0 111.87 179.801 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 2.9 ttp180 -107.54 118.54 36.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 123.955 0.784 . . . . 0.0 109.995 -179.71 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 2.0 t -93.64 147.05 5.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 O-C-N 124.314 1.009 . . . . 0.0 110.662 -179.576 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 1.4 mtt-85 -121.24 88.2 2.89 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 114.621 -1.172 . . . . 0.0 109.154 179.269 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 59.3 t -85.5 152.55 3.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 O-C-N 124.704 1.252 . . . . 0.0 109.706 -179.709 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 40.4 m-85 -125.55 145.34 50.16 Favored 'General case' 0 N--CA 1.452 -0.373 0 O-C-N 124.472 1.107 . . . . 0.0 111.829 -179.786 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 2.6 p90 -142.12 169.96 16.6 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.532 1.145 . . . . 0.0 110.188 179.573 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 19.2 t-20 -84.59 128.58 60.73 Favored Pre-proline 0 C--N 1.324 -0.531 0 CA-C-N 115.465 -0.788 . . . . 0.0 110.438 -179.236 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 25.2 Cg_endo -80.73 81.98 2.59 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.521 1.8 . . . . 0.0 110.729 179.349 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -168.78 -57.31 0.03 OUTLIER Glycine 0 CA--C 1.532 1.116 0 O-C-N 124.512 1.132 . . . . 0.0 110.721 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -119.63 -77.17 0.57 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.613 0.831 . . . . 0.0 110.203 179.611 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.2 p30 161.17 84.98 0.0 OUTLIER 'General case' 0 CA--C 1.541 0.607 0 O-C-N 124.223 0.952 . . . . 0.0 108.662 178.017 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 24.0 t -144.77 159.56 14.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 O-C-N 124.525 1.141 . . . . 0.0 108.917 179.426 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 90.2 t -109.65 115.88 50.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 O-C-N 124.622 1.201 . . . . 0.0 108.994 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -120.45 23.28 10.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.772 1.295 . . . . 0.0 110.197 -179.57 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 45.3 m-70 -144.68 125.3 14.09 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.407 1.067 . . . . 0.0 109.538 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 12.4 t -61.73 113.12 7.42 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.574 1.172 . . . . 0.0 109.118 179.758 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_endo -78.11 128.23 8.93 Favored 'Trans proline' 0 C--N 1.358 1.07 0 O-C-N 124.567 1.825 . . . . 0.0 110.52 -179.613 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 7.7 p-80 -120.41 163.77 17.39 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.342 1.026 . . . . 0.0 109.87 -179.499 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 1.5 t -83.32 146.65 6.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.129 . . . . 0.0 109.565 179.516 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.247 0 O-C-N 124.611 1.194 . . . . 0.0 110.52 -179.6 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 110.405 -0.22 . . . . 0.0 110.405 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -73.71 -172.26 1.22 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 110.242 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 60.51 177.78 0.1 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 0.0 110.938 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -120.08 -2.31 12.49 Favored Glycine 0 CA--C 1.529 0.925 0 O-C-N 124.504 1.127 . . . . 0.0 112.958 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.5 t -52.94 147.57 9.02 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.175 0.574 . . . . 0.0 109.835 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.772 ' O ' ' OXT' ' A' ' 70' ' ' GLY . 38.5 mt-10 -150.05 145.49 26.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 111.2 -179.742 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 63.8 -177.27 0.16 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.362 1.039 . . . . 0.0 109.9 179.348 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 37.0 mmtm -73.1 170.57 14.63 Favored 'General case' 0 N--CA 1.448 -0.569 0 CA-C-N 114.887 -1.051 . . . . 0.0 111.494 -179.073 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -148.38 134.31 19.09 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 114.268 -1.333 . . . . 0.0 108.807 179.578 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -114.76 76.7 4.29 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.597 1.186 . . . . 0.0 113.374 -179.154 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 22.2 Cg_endo -70.82 -16.15 33.09 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.223 1.644 . . . . 0.0 113.064 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 46.9 tt0 -74.12 -15.02 61.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.111 0.882 . . . . 0.0 111.957 -179.478 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 8.5 t -91.18 48.16 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.316 1.01 . . . . 0.0 109.959 -179.673 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 71.7 t -118.79 133.66 64.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.388 1.055 . . . . 0.0 109.326 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 97.31 -14.76 63.19 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.436 1.085 . . . . 0.0 111.956 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 36.5 mttt -74.02 -131.71 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.559 0 O-C-N 124.409 0.711 . . . . 0.0 109.269 -179.174 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -168.34 163.3 12.84 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.468 0.651 . . . . 0.0 111.287 -179.249 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 22.1 t -49.47 -53.0 10.35 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.429 0 CA-C-N 115.061 -0.972 . . . . 0.0 111.99 -179.505 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -57.68 -41.99 82.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 123.964 0.79 . . . . 0.0 111.42 -179.138 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 14.2 tp60 -63.17 -53.59 50.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.242 0.964 . . . . 0.0 110.084 -179.785 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.53 -0.67 13.38 Favored 'General case' 0 N--CA 1.452 -0.368 0 O-C-N 124.647 1.217 . . . . 0.0 113.086 -179.648 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -81.76 -46.86 13.65 Favored 'General case' 0 C--N 1.321 -0.632 0 O-C-N 124.464 1.102 . . . . 0.0 108.996 179.617 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -78.01 -24.72 47.84 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 114.631 -1.168 . . . . 0.0 110.851 -179.753 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 62.3 t80 -75.7 -50.09 16.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.261 0.975 . . . . 0.0 113.118 -179.116 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 19.4 m-85 -73.12 -21.36 60.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.34 1.025 . . . . 0.0 111.878 -179.355 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.8 m -77.15 -34.6 56.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.32 1.013 . . . . 0.0 112.008 -179.663 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 16.3 mt -86.65 -46.32 10.18 Favored 'General case' 0 N--CA 1.451 -0.412 0 O-C-N 124.183 0.927 . . . . 0.0 113.442 -178.351 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 31.6 m-70 -85.43 -36.18 20.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.119 0.887 . . . . 0.0 112.862 -178.426 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 13.0 m-85 -121.19 53.49 3.59 Favored Pre-proline 0 C--N 1.323 -0.549 0 N-CA-C 114.147 1.166 . . . . 0.0 114.147 -178.508 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -67.39 -10.03 27.29 Favored 'Trans proline' 0 C--N 1.359 1.089 0 O-C-N 123.852 1.449 . . . . 0.0 113.075 -179.039 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -97.36 18.09 15.99 Favored 'General case' 0 N--CA 1.451 -0.377 0 O-C-N 124.325 1.016 . . . . 0.0 112.091 -179.225 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . 0.268 3.6 m-85 -129.52 133.16 47.1 Favored 'General case' 0 C--N 1.322 -0.606 0 O-C-N 124.133 0.896 . . . . 0.0 110.555 -178.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 15.4 t0 -92.84 102.79 15.18 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.303 1.002 . . . . 0.0 108.688 179.221 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.5 t -86.22 148.53 4.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.449 1.093 . . . . 0.0 110.23 -179.598 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -136.37 114.41 11.41 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 114.87 -1.059 . . . . 0.0 110.636 179.751 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 64.6 m-85 -91.88 129.33 37.87 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.29 0.994 . . . . 0.0 110.984 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -144.42 164.14 30.29 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.348 1.03 . . . . 0.0 109.017 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 24.8 Cg_endo -78.58 148.04 22.78 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.42 1.747 . . . . 0.0 110.981 179.659 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -57.24 175.07 0.16 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 110.716 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.417 ' C ' ' CD ' ' A' ' 42' ' ' PRO . . . 92.41 -5.75 77.73 Favored Glycine 0 CA--C 1.527 0.831 0 O-C-N 124.396 1.06 . . . . 0.0 113.233 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.438 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 53.0 p -108.98 41.25 0.13 Allowed Pre-proline 0 C--O 1.251 1.173 0 N-CA-C 117.411 2.374 . . . . 0.0 117.411 179.488 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.438 ' CD ' ' N ' ' A' ' 41' ' ' SER . 11.8 Cg_endo -64.0 127.69 20.02 Favored 'Trans proline' 0 C--N 1.359 1.125 0 C-N-CA 121.383 1.388 . . . . 0.0 110.839 -179.487 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -150.03 -158.76 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.41 1.069 . . . . 0.0 109.09 -179.521 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -89.7 94.51 9.87 Favored 'General case' 0 N--CA 1.451 -0.401 0 O-C-N 124.966 1.417 . . . . 0.0 109.485 178.044 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -92.01 26.75 2.35 Favored 'General case' 0 N--CA 1.45 -0.431 0 O-C-N 124.351 1.032 . . . . 0.0 110.924 -179.141 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -102.07 -26.85 13.23 Favored 'General case' 0 N--CA 1.447 -0.596 0 O-C-N 124.247 0.967 . . . . 0.0 109.212 179.849 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 12.8 tp -51.0 -20.36 1.34 Allowed 'General case' 0 N--CA 1.449 -0.479 0 O-C-N 124.312 1.008 . . . . 0.0 111.91 -179.464 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 4.4 mmt-85 -127.77 113.91 16.59 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.131 0.894 . . . . 0.0 110.338 -179.59 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 21.1 m-30 -88.69 -29.41 19.9 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 114.209 1.188 . . . . 0.0 114.209 -179.116 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 15.8 p-10 -91.18 -12.77 34.39 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.464 1.102 . . . . 0.0 112.483 -178.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 8.4 ttm180 -112.94 124.09 51.81 Favored 'General case' 0 C--N 1.323 -0.571 0 O-C-N 124.057 0.848 . . . . 0.0 110.356 -179.443 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 47.1 t -98.36 146.83 7.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 O-C-N 124.393 1.058 . . . . 0.0 109.524 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 1.9 mtm180 -118.74 95.24 4.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.384 1.052 . . . . 0.0 109.574 179.761 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 9.7 t -88.24 156.38 3.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.694 1.247 . . . . 0.0 110.094 -179.598 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 45.0 m-85 -128.49 147.47 50.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.414 1.071 . . . . 0.0 110.798 179.646 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 10.5 p90 -147.88 166.44 27.63 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.593 1.183 . . . . 0.0 111.584 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -85.78 138.66 35.33 Favored Pre-proline 0 C--N 1.326 -0.425 0 CA-C-N 114.821 -1.081 . . . . 0.0 109.393 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 30.7 Cg_endo -80.95 9.98 3.58 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.38 1.727 . . . . 0.0 112.525 179.641 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -91.08 -87.34 1.41 Allowed Glycine 0 CA--C 1.529 0.93 0 O-C-N 124.166 0.916 . . . . 0.0 110.99 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 14.9 t -91.92 2.81 56.29 Favored 'General case' 0 N--CA 1.449 -0.484 0 O-C-N 124.395 0.703 . . . . 0.0 112.491 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 3.6 m120 66.71 67.15 0.43 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.175 0.922 . . . . 0.0 109.285 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 2.1 t -135.84 140.48 44.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.402 1.064 . . . . 0.0 109.333 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 41.0 t -75.67 141.37 15.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.414 1.071 . . . . 0.0 109.442 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.4 ' ND2' ' CE1' ' A' ' 65' ' ' HIS . 1.1 p30 -149.26 29.34 0.79 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.452 1.095 . . . . 0.0 110.008 -179.708 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . 0.4 ' CE1' ' ND2' ' A' ' 64' ' ' ASN . 33.2 m80 -147.94 123.54 10.45 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 115.199 -0.91 . . . . 0.0 109.346 179.562 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 89.0 t -54.28 109.26 1.44 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.734 1.271 . . . . 0.0 109.567 179.799 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 45.4 Cg_endo -84.17 91.55 0.82 Allowed 'Trans proline' 0 C--N 1.358 1.057 0 O-C-N 124.443 1.759 . . . . 0.0 110.744 179.557 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -90.77 162.3 14.93 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.138 0.899 . . . . 0.0 110.052 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.571 ' O ' ' OXT' ' A' ' 70' ' ' GLY . 15.9 t -87.68 160.17 2.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 O-C-N 124.427 1.08 . . . . 0.0 109.346 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . 0.772 ' OXT' ' O ' ' A' ' 6' ' ' GLU . . . . . . . . 0 CA--C 1.53 1.015 0 O-C-N 124.579 1.174 . . . . 0.0 110.93 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.454 -0.243 0 N-CA-C 110.404 -0.221 . . . . 0.0 110.404 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -68.5 -157.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 110.195 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -88.12 -86.05 0.17 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 111.119 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -138.56 5.4 3.17 Favored Glycine 0 CA--C 1.528 0.905 0 O-C-N 124.237 0.961 . . . . 0.0 113.179 -179.783 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -176.59 -154.65 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.274 0.632 . . . . 0.0 109.952 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -134.23 132.33 39.57 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.362 1.039 . . . . 0.0 110.357 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.7 mt 65.3 169.42 0.2 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 109.504 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.42 116.59 2.73 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 0.0 109.408 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -144.08 161.19 39.43 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.379 1.049 . . . . 0.0 109.949 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -135.14 104.75 10.38 Favored Pre-proline 0 N--CA 1.45 -0.464 0 O-C-N 124.373 1.045 . . . . 0.0 112.007 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 15.0 Cg_endo -71.62 -11.13 27.71 Favored 'Trans proline' 0 C--N 1.363 1.326 0 O-C-N 124.147 1.604 . . . . 0.0 112.507 -179.464 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -76.02 -18.61 59.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.062 0.851 . . . . 0.0 111.466 -179.651 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 19.6 t -91.67 50.82 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.294 0.996 . . . . 0.0 109.878 -179.598 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 24.6 t -139.43 120.98 15.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.385 1.053 . . . . 0.0 109.217 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 110.27 -31.13 7.65 Favored Glycine 0 CA--C 1.528 0.891 0 O-C-N 124.502 1.126 . . . . 0.0 112.163 179.767 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.35 162.45 25.56 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.368 0.687 . . . . 0.0 109.184 -179.028 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 65.3 p -91.08 169.73 10.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.036 0.835 . . . . 0.0 110.269 179.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 20.6 t -48.72 -58.39 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 111.718 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -50.62 -39.63 50.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.322 1.014 . . . . 0.0 111.013 -179.171 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 6.6 mm100 -63.65 -52.7 59.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.457 1.098 . . . . 0.0 110.206 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.85 -0.33 13.16 Favored 'General case' 0 N--CA 1.451 -0.388 0 O-C-N 124.604 1.19 . . . . 0.0 113.049 -179.798 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -83.54 -46.74 12.08 Favored 'General case' 0 C--N 1.321 -0.657 0 O-C-N 124.441 1.088 . . . . 0.0 109.543 -179.857 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -72.92 -26.17 61.31 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 114.659 -1.155 . . . . 0.0 110.137 179.692 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 68.1 t80 -70.06 -52.04 27.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.561 1.163 . . . . 0.0 111.331 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -69.82 -26.28 64.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.539 1.149 . . . . 0.0 110.844 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 7.4 m -78.23 -34.61 49.13 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 112.179 -179.534 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 25.6 mt -80.14 -48.78 12.66 Favored 'General case' 0 N--CA 1.448 -0.545 0 N-CA-C 113.587 0.958 . . . . 0.0 113.587 -178.378 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 15.2 m80 -87.77 -34.97 18.13 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.171 0.92 . . . . 0.0 113.319 -177.642 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 40.5 m-85 -123.76 56.64 10.9 Favored Pre-proline 0 C--N 1.324 -0.516 0 N-CA-C 114.313 1.227 . . . . 0.0 114.313 -178.359 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -69.01 -7.41 20.76 Favored 'Trans proline' 0 C--N 1.358 1.055 0 O-C-N 123.949 1.5 . . . . 0.0 113.28 -179.064 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -102.31 17.56 23.16 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.448 1.092 . . . . 0.0 111.811 -179.498 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . 0.259 1.8 m-85 -124.66 134.96 52.71 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.226 -0.897 . . . . 0.0 109.958 179.807 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 15.7 t0 -89.32 92.19 9.06 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.518 1.136 . . . . 0.0 108.569 178.664 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.5 t -85.35 150.14 4.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.537 1.148 . . . . 0.0 109.935 -179.636 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -123.39 156.79 34.76 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.323 1.015 . . . . 0.0 110.803 179.802 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -143.01 107.89 4.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 110.972 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -143.3 166.54 19.53 Favored Pre-proline 0 C--N 1.326 -0.425 0 O-C-N 124.315 1.009 . . . . 0.0 109.195 -179.86 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -74.49 159.43 43.06 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.539 1.81 . . . . 0.0 111.214 -179.592 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.543 ' CG ' ' CE1' ' A' ' 65' ' ' HIS . 15.3 mt-10 -53.53 169.14 0.14 Allowed 'General case' 0 N--CA 1.448 -0.568 0 O-C-N 124.399 1.062 . . . . 0.0 111.183 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.423 ' C ' ' CD ' ' A' ' 42' ' ' PRO . . . 103.5 -7.22 50.33 Favored Glycine 0 CA--C 1.527 0.794 0 O-C-N 124.459 1.1 . . . . 0.0 114.42 178.662 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.448 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 16.2 p -104.52 36.06 0.05 OUTLIER Pre-proline 0 C--O 1.249 1.033 0 N-CA-C 119.279 3.066 . . . . 0.0 119.279 179.267 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.448 ' CD ' ' N ' ' A' ' 41' ' ' SER . 27.8 Cg_endo -71.85 133.09 21.15 Favored 'Trans proline' 0 C--N 1.358 1.038 0 C-N-CA 121.315 1.343 . . . . 0.0 110.709 179.391 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -150.11 -160.03 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.357 1.036 . . . . 0.0 109.085 -179.618 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -85.65 84.18 7.66 Favored 'General case' 0 N--CA 1.449 -0.519 0 O-C-N 124.907 1.379 . . . . 0.0 109.242 177.839 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.576 ' O ' ' OXT' ' A' ' 70' ' ' GLY . 0.8 OUTLIER -55.84 -38.32 69.9 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 114.302 -1.317 . . . . 0.0 113.071 -178.516 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -54.44 100.07 0.03 OUTLIER 'General case' 0 N--CA 1.446 -0.627 0 O-C-N 123.983 0.802 . . . . 0.0 110.222 -179.851 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 17.9 tp -172.94 -79.94 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.337 1.023 . . . . 0.0 109.318 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 14.5 mmt180 -84.86 118.38 24.46 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 114.627 -1.17 . . . . 0.0 110.454 179.574 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 63.6 m-85 -86.1 -33.79 20.83 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 113.199 0.814 . . . . 0.0 113.199 -178.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 48.7 p-10 -87.87 -11.35 47.99 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.442 1.089 . . . . 0.0 111.797 179.441 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 3.1 ttm180 -106.8 113.23 26.6 Favored 'General case' 0 C--N 1.323 -0.577 0 O-C-N 123.988 0.805 . . . . 0.0 109.664 179.801 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 46.8 t -105.45 154.53 6.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 O-C-N 124.355 1.034 . . . . 0.0 110.756 -179.313 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 46.2 mtt180 -122.24 136.54 54.92 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 114.751 -1.113 . . . . 0.0 109.511 179.821 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 21.6 t -123.91 154.76 30.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.637 1.211 . . . . 0.0 109.862 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 63.8 m-85 -126.17 140.59 52.44 Favored 'General case' 0 C--N 1.327 -0.392 0 O-C-N 124.464 1.102 . . . . 0.0 111.257 179.755 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 13.0 p90 -139.76 170.37 16.01 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 114.919 -1.037 . . . . 0.0 110.435 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -87.68 129.75 49.58 Favored Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.313 1.008 . . . . 0.0 109.505 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_endo -85.03 37.85 0.63 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.236 1.65 . . . . 0.0 113.266 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -141.81 -63.86 0.03 OUTLIER Glycine 0 CA--C 1.531 1.052 0 N-CA-C 110.585 -1.006 . . . . 0.0 110.585 179.663 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 9.3 t -88.13 -18.5 28.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 0.784 . . . . 0.0 111.064 179.521 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 69.81 63.12 0.25 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.206 0.941 . . . . 0.0 109.033 -179.677 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 96.2 t -142.21 143.28 26.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.578 1.174 . . . . 0.0 109.827 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 66.1 t -80.99 129.67 37.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 114.99 -1.005 . . . . 0.0 109.091 179.721 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -142.1 35.55 1.54 Allowed 'General case' 0 C--N 1.327 -0.386 0 O-C-N 124.517 1.135 . . . . 0.0 110.505 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . 0.543 ' CE1' ' CG ' ' A' ' 39' ' ' GLU . 14.9 m80 -148.55 123.83 10.22 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.351 1.032 . . . . 0.0 109.331 179.582 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 60.4 t -57.4 110.3 2.37 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.778 1.299 . . . . 0.0 109.117 179.572 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -83.76 111.36 1.71 Allowed 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.445 1.761 . . . . 0.0 111.576 -179.28 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -106.17 164.62 11.85 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.1 -0.955 . . . . 0.0 109.246 179.761 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 1.4 t -81.76 143.52 12.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.647 1.217 . . . . 0.0 108.947 178.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . 0.576 ' OXT' ' O ' ' A' ' 45' ' ' LEU . . . . . . . . 0 CA--C 1.53 1.005 0 O-C-N 124.375 1.047 . . . . 0.0 110.704 -179.746 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 1.2 p . . . . . 0 N--CA 1.452 -0.354 0 N-CA-C 110.413 -0.217 . . . . 0.0 110.413 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -52.42 161.1 0.72 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.112 . . . . 0.0 110.231 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -163.98 -41.44 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.391 0 O-C-N 124.446 1.091 . . . . 0.0 111.294 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -124.23 3.21 9.0 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.507 1.129 . . . . 0.0 112.931 -179.783 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.7 t -84.19 87.57 7.18 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.217 0.598 . . . . 0.0 109.858 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 31.3 mm-40 -152.74 101.01 2.58 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.588 1.18 . . . . 0.0 110.73 -179.731 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.2 mp -110.33 75.07 0.91 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.474 1.109 . . . . 0.0 108.952 179.667 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 9.3 mtmm -71.77 125.36 26.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 110.451 -179.495 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.9 p -149.42 127.27 11.81 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.011 -0.995 . . . . 0.0 109.474 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -122.21 98.01 44.81 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 111.226 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 10.9 Cg_endo -71.08 -8.9 24.57 Favored 'Trans proline' 0 C--N 1.366 1.484 0 O-C-N 124.046 1.551 . . . . 0.0 112.561 -179.758 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -79.67 8.13 7.15 Favored 'General case' 0 C--N 1.323 -0.566 0 O-C-N 123.994 0.809 . . . . 0.0 112.67 -179.141 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 59.9 t -95.27 -25.05 4.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 124.074 0.858 . . . . 0.0 110.207 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 6.4 t -60.26 125.26 16.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.552 -179.784 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 117.04 -39.29 2.71 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.507 1.129 . . . . 0.0 112.782 179.477 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.3 mtpt -77.1 166.36 23.38 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.325 0.662 . . . . 0.0 109.771 -179.017 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -100.32 166.99 10.69 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.121 . . . . 0.0 110.012 -179.645 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 24.1 t -46.24 -63.08 0.31 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.533 0 O-C-N 123.873 0.733 . . . . 0.0 112.597 -179.527 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 14.9 p-10 -50.44 -40.23 49.94 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 123.904 0.753 . . . . 0.0 111.804 -178.704 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 9.4 tp60 -63.68 -51.77 63.6 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.239 -0.891 . . . . 0.0 110.086 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.78 -5.72 17.72 Favored 'General case' 0 N--CA 1.452 -0.339 0 O-C-N 124.398 1.061 . . . . 0.0 113.359 -179.655 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -80.64 -46.29 15.86 Favored 'General case' 0 C--N 1.32 -0.709 0 O-C-N 124.936 1.397 . . . . 0.0 109.031 179.167 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.24 -24.43 64.0 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 114.412 -1.267 . . . . 0.0 109.961 179.383 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.441 ' CD1' ' C ' ' A' ' 24' ' ' TYR . 3.7 t80 -65.54 -51.44 59.86 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 110.777 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -68.7 -23.22 64.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 110.593 179.745 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 23.7 m -67.64 -30.33 69.87 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.319 1.012 . . . . 0.0 110.21 179.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 16.5 mt -86.44 -46.19 10.45 Favored 'General case' 0 N--CA 1.449 -0.49 0 N-CA-C 114.269 1.211 . . . . 0.0 114.269 -178.196 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 90.1 m-70 -86.24 -53.65 4.91 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.054 0.846 . . . . 0.0 113.234 -177.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 51.5 m-85 -119.26 75.47 15.92 Favored Pre-proline 0 C--N 1.323 -0.559 0 N-CA-C 114.052 1.13 . . . . 0.0 114.052 -178.329 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -73.9 2.12 6.34 Favored 'Trans proline' 0 C--N 1.359 1.091 0 O-C-N 123.817 1.43 . . . . 0.0 113.229 -178.798 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 6.3 pm0 -115.38 21.11 14.35 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.287 0.992 . . . . 0.0 110.705 179.59 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 1.6 m-30 -120.37 117.5 27.92 Favored 'General case' 0 C--N 1.322 -0.601 0 O-C-N 124.258 0.973 . . . . 0.0 110.273 179.55 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -85.74 102.59 13.77 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 107.856 -1.164 . . . . 0.0 107.856 177.299 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.5 t -84.85 150.64 3.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 O-C-N 124.536 1.148 . . . . 0.0 110.946 -178.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 6.6 m-30 -114.82 147.37 39.93 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.027 -0.988 . . . . 0.0 110.271 179.186 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -128.38 115.65 18.57 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.684 1.24 . . . . 0.0 110.7 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.5 mt -144.75 160.68 46.4 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.315 1.009 . . . . 0.0 109.219 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 22.1 Cg_endo -79.25 161.56 25.93 Favored 'Trans proline' 0 C--N 1.359 1.094 0 O-C-N 124.515 1.797 . . . . 0.0 110.56 179.427 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -48.09 158.63 0.23 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.73 1.269 . . . . 0.0 111.668 -179.763 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 70.55 8.78 63.72 Favored Glycine 0 CA--C 1.532 1.109 0 O-C-N 124.33 1.019 . . . . 0.0 112.079 -178.529 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.473 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 44.5 t -90.95 -40.31 0.39 Allowed Pre-proline 0 C--O 1.244 0.766 0 N-CA-C 116.848 2.166 . . . . 0.0 116.848 177.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.473 ' CD ' ' N ' ' A' ' 41' ' ' SER . 17.9 Cg_exo -46.85 160.31 0.26 Allowed 'Trans proline' 0 N--CA 1.45 -1.044 0 O-C-N 123.505 1.266 . . . . 0.0 113.678 -178.277 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 2.4 p -144.53 -153.68 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.542 0.645 0 CA-C-N 114.284 -1.326 . . . . 0.0 107.711 -179.06 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 15.4 p -73.48 115.55 13.0 Favored 'General case' 0 C--O 1.235 0.336 0 O-C-N 126.135 2.147 . . . . 0.0 109.158 177.168 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -103.97 90.6 3.66 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.009 0.818 . . . . 0.0 109.698 -178.69 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -67.6 -157.89 0.02 OUTLIER 'General case' 0 N--CA 1.448 -0.544 0 O-C-N 124.494 1.121 . . . . 0.0 110.776 -179.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 14.7 tp -83.15 84.23 7.55 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.032 -0.985 . . . . 0.0 109.768 -179.698 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.456 ' N ' ' OXT' ' A' ' 70' ' ' GLY . 5.9 mmp_? -124.3 88.85 2.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 109.596 179.686 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 69.9 m-85 -76.24 -20.68 57.19 Favored 'General case' 0 N--CA 1.45 -0.434 0 O-C-N 124.461 1.101 . . . . 0.0 112.945 -179.23 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -88.97 -11.6 43.9 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.458 1.099 . . . . 0.0 112.08 -179.656 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 11.7 ttm180 -122.6 123.68 41.74 Favored 'General case' 0 C--N 1.323 -0.575 0 O-C-N 124.138 0.899 . . . . 0.0 111.107 -178.56 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.582 ' CG2' ' CG2' ' A' ' 69' ' ' VAL . 65.7 t -117.3 154.35 19.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.274 0.983 . . . . 0.0 108.486 179.255 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 2.5 mtm-85 -122.01 149.85 42.91 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.488 1.118 . . . . 0.0 110.275 -179.237 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 77.0 t -142.11 149.25 19.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 O-C-N 124.459 1.1 . . . . 0.0 109.684 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.499 ' N ' ' CD1' ' A' ' 55' ' ' PHE . 1.0 OUTLIER -118.63 134.38 55.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 110.902 -179.912 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 14.0 p90 -142.89 168.19 20.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.427 1.079 . . . . 0.0 110.468 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -85.0 132.39 45.85 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.434 1.084 . . . . 0.0 109.623 -179.649 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_endo -81.1 10.24 3.49 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.268 1.667 . . . . 0.0 112.403 179.58 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -95.76 -67.49 0.98 Allowed Glycine 0 CA--C 1.529 0.923 0 O-C-N 124.138 0.899 . . . . 0.0 111.649 -179.643 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 14.3 t -108.93 -0.21 19.79 Favored 'General case' 0 N--CA 1.45 -0.47 0 O-C-N 124.309 0.652 . . . . 0.0 112.726 -179.676 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 8.2 m-20 68.79 70.98 0.28 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.073 0.858 . . . . 0.0 109.21 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 12.1 t -143.47 134.18 22.2 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.363 0 O-C-N 124.57 1.169 . . . . 0.0 110.476 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 61.5 t -72.39 132.87 32.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 114.874 -1.057 . . . . 0.0 109.74 179.764 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 16.4 p30 -140.16 24.71 2.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.429 1.081 . . . . 0.0 109.826 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 78.5 m-70 -148.34 139.68 23.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.349 1.031 . . . . 0.0 109.527 179.779 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 10.8 t -66.55 114.74 18.74 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.494 1.121 . . . . 0.0 109.583 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -79.78 145.62 18.14 Favored 'Trans proline' 0 C--N 1.358 1.064 0 O-C-N 124.532 1.806 . . . . 0.0 110.865 179.54 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -140.17 163.3 33.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.314 1.008 . . . . 0.0 109.633 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.582 ' CG2' ' CG2' ' A' ' 52' ' ' VAL . 6.3 t -97.74 148.4 5.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 0.0 109.312 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . 0.456 ' OXT' ' N ' ' A' ' 48' ' ' ARG . . . . . . . . 0 CA--C 1.53 1.001 0 O-C-N 124.482 1.114 . . . . 0.0 110.988 179.991 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 87.7 m . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 110.432 -0.211 . . . . 0.0 110.432 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -138.51 23.81 2.69 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.545 1.153 . . . . 0.0 110.348 179.93 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -119.06 -168.34 1.54 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.444 1.09 . . . . 0.0 110.874 179.928 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -75.72 -6.28 81.16 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.508 1.13 . . . . 0.0 113.142 179.91 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.7 t 66.41 160.68 0.14 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.226 0.604 . . . . 0.0 110.574 179.982 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 69.75 154.39 0.12 Allowed 'General case' 0 N--CA 1.452 -0.359 0 O-C-N 124.423 1.077 . . . . 0.0 110.289 -179.549 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.6 mp 52.82 42.98 32.02 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.422 1.076 . . . . 0.0 109.608 179.855 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.4 mptp? -58.89 109.07 0.75 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.483 1.114 . . . . 0.0 109.491 -179.916 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 91.9 p -149.59 137.39 20.27 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 114.92 -1.036 . . . . 0.0 109.796 -179.648 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -124.57 97.67 38.92 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.555 1.16 . . . . 0.0 110.791 179.763 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -73.61 -6.17 18.28 Favored 'Trans proline' 0 C--N 1.365 1.421 0 O-C-N 124.159 1.61 . . . . 0.0 112.611 -179.767 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 23.0 tp10 -71.07 -20.12 62.39 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.105 0.878 . . . . 0.0 110.903 -179.98 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 3.3 t -91.59 45.28 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.314 1.009 . . . . 0.0 109.226 179.881 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 37.6 t -115.03 123.2 70.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.157 . . . . 0.0 109.177 179.854 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 113.87 -23.43 13.1 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.599 1.187 . . . . 0.0 110.988 -179.958 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.7 mttp -76.21 162.37 28.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 0.774 . . . . 0.0 108.982 -179.606 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -98.77 164.22 12.31 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.105 0.878 . . . . 0.0 109.895 179.962 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 40.2 t -45.12 -59.94 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.322 1.014 . . . . 0.0 112.719 -179.448 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -50.55 -40.19 51.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.011 0.82 . . . . 0.0 111.327 -179.122 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 13.8 mm-40 -63.69 -52.53 60.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.348 1.03 . . . . 0.0 110.084 -179.822 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.39 -0.86 13.56 Favored 'General case' 0 N--CA 1.452 -0.348 0 O-C-N 124.691 1.244 . . . . 0.0 113.108 -179.688 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 11.2 tpp85 -83.03 -46.68 12.56 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 124.456 1.098 . . . . 0.0 109.526 179.86 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -73.97 -23.94 59.55 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 114.444 -1.253 . . . . 0.0 110.566 179.951 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 39.4 t80 -69.84 -49.13 55.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.445 1.091 . . . . 0.0 112.202 -179.585 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -70.89 -22.88 62.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 111.871 -179.414 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 45.5 m -74.55 -30.9 61.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.237 0.96 . . . . 0.0 111.46 -179.797 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 17.4 mt -88.86 -45.31 9.82 Favored 'General case' 0 N--CA 1.449 -0.491 0 N-CA-C 114.336 1.236 . . . . 0.0 114.336 -178.025 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 93.9 m-70 -82.8 -42.1 18.3 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.062 0.851 . . . . 0.0 112.877 -178.604 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 46.0 m-85 -119.62 75.66 18.79 Favored Pre-proline 0 C--N 1.323 -0.576 0 N-CA-C 114.068 1.136 . . . . 0.0 114.068 -178.925 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 22.3 Cg_endo -80.82 10.22 3.44 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.01 1.531 . . . . 0.0 112.916 179.976 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -124.54 19.36 8.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.431 1.082 . . . . 0.0 111.283 -179.713 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . 0.273 3.1 m-85 -129.58 134.85 47.95 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.16 -0.927 . . . . 0.0 110.043 -179.358 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -89.53 97.61 11.29 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.422 1.076 . . . . 0.0 108.365 178.652 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 3.1 t -84.1 151.38 3.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.627 1.204 . . . . 0.0 109.324 -179.807 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 47.6 m-85 -144.61 131.53 20.3 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.585 1.178 . . . . 0.0 110.969 179.754 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 32.3 m-85 -113.38 106.33 14.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.374 1.046 . . . . 0.0 110.469 179.8 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 52.2 mt -130.94 164.22 43.54 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.284 0.99 . . . . 0.0 109.412 -179.518 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_endo -71.54 133.12 21.74 Favored 'Trans proline' 0 C--N 1.361 1.227 0 O-C-N 124.386 1.73 . . . . 0.0 110.745 179.584 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.99 -178.3 0.07 Allowed 'General case' 0 N--CA 1.449 -0.523 0 O-C-N 124.49 1.119 . . . . 0.0 110.901 -179.777 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 111.02 -19.11 25.57 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.431 1.082 . . . . 0.0 112.054 179.539 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 66.0 p -105.74 64.66 0.15 Allowed Pre-proline 0 C--O 1.26 1.607 0 N-CA-C 117.48 2.4 . . . . 0.0 117.48 179.004 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 30.1 Cg_endo -69.05 132.78 25.23 Favored 'Trans proline' 0 C--N 1.36 1.133 0 C-N-CA 121.025 1.15 . . . . 0.0 111.181 179.721 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -148.98 -161.49 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.459 1.099 . . . . 0.0 108.99 179.809 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -94.43 79.54 3.89 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 114.313 -1.312 . . . . 0.0 109.07 177.733 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 64.7 mt -60.48 -23.6 64.61 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-N 113.764 -1.562 . . . . 0.0 114.526 -178.154 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -50.09 -20.65 1.03 Allowed 'General case' 0 N--CA 1.446 -0.641 0 O-C-N 123.677 0.611 . . . . 0.0 112.55 -179.654 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 20.7 tp -49.49 -59.59 3.61 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.137 0.898 . . . . 0.0 111.852 -179.09 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.77 ' CB ' ' OXT' ' A' ' 70' ' ' GLY . 0.6 OUTLIER -90.0 94.77 9.93 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.482 -0.781 . . . . 0.0 111.902 -179.368 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 62.6 m-85 -72.8 -30.44 64.07 Favored 'General case' 0 CA--C 1.535 0.402 0 O-C-N 124.488 1.118 . . . . 0.0 110.412 179.464 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -93.7 -9.17 38.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.683 1.24 . . . . 0.0 112.199 -179.132 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 1.7 ttp180 -108.8 128.87 55.27 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.086 0.866 . . . . 0.0 109.937 -179.323 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 5.6 t -99.57 137.68 26.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 124.414 1.071 . . . . 0.0 109.328 179.839 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.14 93.46 4.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.828 179.965 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.7 t -92.04 159.6 2.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.597 1.186 . . . . 0.0 109.143 179.727 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -125.99 146.29 49.94 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.455 1.097 . . . . 0.0 111.449 -179.869 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 19.5 p90 -144.55 166.65 24.55 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.484 1.115 . . . . 0.0 110.543 179.747 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -91.66 126.35 54.34 Favored Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 124.578 1.174 . . . . 0.0 109.421 -179.779 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_endo -73.85 1.71 6.76 Favored 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.412 1.743 . . . . 0.0 112.774 -179.757 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -99.79 -78.65 1.38 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.168 0.917 . . . . 0.0 111.628 -179.611 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.8 t -70.92 -16.38 62.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.399 0.705 . . . . 0.0 111.699 -179.864 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 68.9 43.74 1.15 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.303 1.002 . . . . 0.0 108.995 -179.663 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 22.6 t -133.95 149.57 30.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.597 1.185 . . . . 0.0 109.379 -179.824 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 42.8 t -79.25 130.18 36.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.39 1.056 . . . . 0.0 109.476 -179.983 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.438 ' ND2' ' CD2' ' A' ' 65' ' ' HIS . 0.9 OUTLIER -135.08 27.81 3.5 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.671 1.232 . . . . 0.0 109.218 179.948 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . 0.438 ' CD2' ' ND2' ' A' ' 64' ' ' ASN . 98.3 m-70 -144.73 124.89 13.66 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.475 1.11 . . . . 0.0 109.654 179.905 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 38.6 t -55.87 112.01 3.81 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.566 1.166 . . . . 0.0 108.918 179.71 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_endo -73.44 140.35 30.03 Favored 'Trans proline' 0 C--N 1.361 1.223 0 O-C-N 124.572 1.827 . . . . 0.0 111.27 -179.375 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 3.3 p-80 -138.41 165.05 27.78 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 114.906 -1.043 . . . . 0.0 109.039 -179.929 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 3.8 t -84.09 145.17 8.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 109.546 179.763 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . 0.77 ' OXT' ' CB ' ' A' ' 48' ' ' ARG . . . . . . . . 0 CA--C 1.532 1.104 0 O-C-N 124.346 1.029 . . . . 0.0 110.845 -179.865 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 2.9 m . . . . . 0 N--CA 1.454 -0.243 0 N-CA-C 110.348 -0.242 . . . . 0.0 110.348 . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -133.89 27.84 3.9 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.098 . . . . 0.0 110.287 179.993 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 39.8 m-85 -106.49 -168.81 1.47 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.568 1.168 . . . . 0.0 110.895 179.937 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 126.02 4.64 6.53 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.55 1.156 . . . . 0.0 112.922 -179.878 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.4 t 56.47 60.99 2.86 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.193 0.584 . . . . 0.0 109.894 179.989 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 65.6 mm-40 -104.85 73.09 1.05 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 110.185 179.917 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.7 mp -63.62 132.19 50.36 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.442 -179.91 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 12.7 mtpt -67.66 116.63 8.58 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.432 1.082 . . . . 0.0 109.476 -179.999 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 30.8 p -142.2 143.99 33.18 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.477 1.111 . . . . 0.0 109.919 179.93 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -126.8 97.78 32.32 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.903 -179.866 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_endo -77.18 -1.51 11.69 Favored 'Trans proline' 0 C--N 1.363 1.312 0 O-C-N 124.114 1.586 . . . . 0.0 113.092 -179.761 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.23 -25.81 60.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.291 0.995 . . . . 0.0 109.948 -179.441 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 9.7 p -95.1 39.36 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.661 1.225 . . . . 0.0 109.987 -179.766 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.5 t -98.6 137.36 26.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.387 1.055 . . . . 0.0 109.138 179.819 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 90.58 -15.51 60.11 Favored Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.463 1.102 . . . . 0.0 112.059 -179.944 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.9 mttt -72.16 -165.66 0.19 Allowed 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 -179.967 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.1 p -129.17 166.68 18.87 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.256 0.972 . . . . 0.0 110.264 -179.735 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 58.6 t -48.05 -58.48 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 111.761 -179.82 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -55.11 -36.11 65.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.215 0.947 . . . . 0.0 111.041 -179.082 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.66 -52.67 56.11 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.551 1.157 . . . . 0.0 109.352 -179.833 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.19 -0.37 14.08 Favored 'General case' 0 C--N 1.329 -0.303 0 O-C-N 124.592 1.182 . . . . 0.0 112.741 179.971 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 8.2 ttm180 -82.2 -46.12 14.17 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 124.468 1.105 . . . . 0.0 109.352 179.697 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -73.01 -27.59 61.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 114.722 -1.127 . . . . 0.0 110.169 179.749 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 22.8 t80 -64.13 -49.7 71.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.561 1.163 . . . . 0.0 111.433 -179.963 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -67.52 -25.66 65.95 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.501 1.126 . . . . 0.0 111.233 -179.788 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 87.2 m -72.7 -30.51 64.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.153 0.908 . . . . 0.0 110.878 179.984 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 15.1 mt -87.97 -43.94 11.38 Favored 'General case' 0 N--CA 1.449 -0.493 0 N-CA-C 113.624 0.972 . . . . 0.0 113.624 -178.317 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 4.5 m80 -89.45 -48.23 7.47 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 113.748 1.018 . . . . 0.0 113.748 -176.849 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 42.3 m-85 -119.6 75.51 18.52 Favored Pre-proline 0 C--N 1.324 -0.511 0 N-CA-C 114.719 1.377 . . . . 0.0 114.719 -178.54 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 5.5 Cg_endo -72.61 0.83 7.0 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 123.82 1.432 . . . . 0.0 113.184 179.763 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 6.3 pm0 -117.5 21.57 12.95 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.267 0.979 . . . . 0.0 110.678 179.876 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . 0.255 1.1 m-30 -123.02 115.52 22.01 Favored 'General case' 0 N--CA 1.447 -0.575 0 CA-C-N 115.018 -0.992 . . . . 0.0 109.922 179.816 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 85.9 m-20 -86.92 104.41 16.22 Favored 'General case' 0 C--N 1.323 -0.578 0 O-C-N 124.407 1.067 . . . . 0.0 108.236 178.233 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 3.4 t -85.57 151.16 3.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.515 1.134 . . . . 0.0 110.589 -179.05 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 34.6 m-85 -136.62 119.76 16.61 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 114.85 -1.068 . . . . 0.0 110.434 179.537 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 55.5 m-85 -92.09 138.3 31.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.261 0.975 . . . . 0.0 111.543 -179.707 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -143.78 155.09 59.74 Favored Pre-proline 0 C--N 1.326 -0.427 0 O-C-N 124.354 1.034 . . . . 0.0 109.079 179.861 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -77.01 148.77 28.1 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.54 1.811 . . . . 0.0 110.963 -179.638 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.452 ' CG ' ' N ' ' A' ' 40' ' ' GLY . 66.7 tt0 -52.28 161.88 0.58 Allowed 'General case' 0 C--N 1.327 -0.393 0 O-C-N 124.453 1.096 . . . . 0.0 110.513 -179.905 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.452 ' N ' ' CG ' ' A' ' 39' ' ' GLU . . . 78.34 16.11 80.0 Favored Glycine 0 CA--C 1.528 0.865 0 O-C-N 124.47 1.106 . . . . 0.0 112.477 179.756 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.452 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 5.9 t -106.9 38.4 0.08 OUTLIER Pre-proline 0 C--O 1.249 1.078 0 N-CA-C 118.326 2.713 . . . . 0.0 118.326 179.281 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.452 ' CD ' ' N ' ' A' ' 41' ' ' SER . 19.7 Cg_endo -68.91 134.07 28.82 Favored 'Trans proline' 0 C--N 1.36 1.154 0 C-N-CA 121.459 1.439 . . . . 0.0 110.788 -179.645 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -149.16 -159.4 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 114.961 -1.018 . . . . 0.0 108.954 -179.833 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.0 p -80.04 99.16 7.54 Favored 'General case' 0 N--CA 1.452 -0.364 0 O-C-N 125.283 1.614 . . . . 0.0 109.885 178.331 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -87.09 81.77 7.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.173 0.92 . . . . 0.0 110.812 -178.931 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.898 ' O ' ' OXT' ' A' ' 70' ' ' GLY . 0.9 OUTLIER -55.69 168.82 0.38 Allowed 'General case' 0 N--CA 1.446 -0.64 0 O-C-N 124.256 0.972 . . . . 0.0 109.492 179.19 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 15.2 tp -82.83 77.76 9.52 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 115.225 -0.898 . . . . 0.0 113.396 -178.245 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.576 ' N ' ' OXT' ' A' ' 70' ' ' GLY . 7.1 mmm180 -99.83 96.03 7.31 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.163 -0.926 . . . . 0.0 109.618 179.489 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 10.4 m-30 -68.16 -27.2 66.22 Favored 'General case' 0 CA--C 1.534 0.334 0 O-C-N 124.262 0.977 . . . . 0.0 111.404 -179.34 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -92.09 -9.15 43.69 Favored 'General case' 0 N--CA 1.449 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 112.152 -179.453 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 1.7 ttp180 -114.7 125.5 53.8 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 123.989 0.805 . . . . 0.0 110.915 -178.938 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -120.3 117.42 53.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 O-C-N 124.368 1.043 . . . . 0.0 110.175 179.956 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 12.0 mtp85 -87.88 135.75 33.26 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 114.977 -1.01 . . . . 0.0 110.796 179.655 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 74.6 t -123.19 150.72 27.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.209 0.943 . . . . 0.0 109.605 -179.868 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 56.5 m-85 -125.15 139.18 53.99 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.458 1.099 . . . . 0.0 111.121 179.817 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 36.2 p90 -143.62 159.75 41.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 0.0 110.438 179.763 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -66.88 142.86 97.69 Favored Pre-proline 0 C--N 1.327 -0.378 0 O-C-N 124.563 1.164 . . . . 0.0 109.691 -179.274 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_endo -81.08 10.24 3.49 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.296 1.682 . . . . 0.0 112.535 -179.89 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -111.94 -85.54 1.52 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.246 0.966 . . . . 0.0 112.317 -179.55 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 10.2 t -77.21 -13.08 60.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.332 0.666 . . . . 0.0 112.211 -179.249 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 4.6 m120 70.47 73.62 0.21 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.418 1.074 . . . . 0.0 108.891 -179.554 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 9.5 t -141.33 134.45 30.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.655 1.222 . . . . 0.0 110.13 -179.616 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 38.1 t -69.95 121.87 20.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.37 1.044 . . . . 0.0 109.032 179.333 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.403 ' ND2' ' CE1' ' A' ' 65' ' ' HIS . 1.5 p30 -135.35 27.54 3.43 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.604 1.19 . . . . 0.0 109.071 179.813 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . 0.403 ' CE1' ' ND2' ' A' ' 64' ' ' ASN . 30.9 m80 -143.66 124.53 14.28 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 114.794 -1.094 . . . . 0.0 108.878 179.45 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 85.5 t -53.13 109.65 1.59 Allowed Pre-proline 0 C--N 1.323 -0.577 0 O-C-N 125.041 1.463 . . . . 0.0 109.327 -179.973 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 28.6 Cg_endo -77.44 145.49 23.76 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.473 1.775 . . . . 0.0 110.696 -179.628 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.482 ' N ' ' CD2' ' A' ' 68' ' ' HIS . 0.4 OUTLIER -148.94 163.19 38.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.373 1.046 . . . . 0.0 109.697 -179.636 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 1.7 t -85.4 141.37 14.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.606 1.191 . . . . 0.0 108.878 179.468 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . 0.898 ' OXT' ' O ' ' A' ' 46' ' ' ASP . . . . . . . . 0 CA--C 1.531 1.036 0 O-C-N 124.287 0.992 . . . . 0.0 110.748 -179.883 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 CA-C-O 120.493 0.187 . . . . 0.0 110.567 . . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -90.89 46.47 1.33 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.478 1.111 . . . . 0.0 110.317 179.957 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 52.53 20.58 1.52 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.102 . . . . 0.0 111.793 179.935 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -126.24 -7.95 5.19 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.35 1.031 . . . . 0.0 113.142 -179.963 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.2 t 53.98 -98.29 0.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.253 0.62 . . . . 0.0 111.004 179.684 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -148.31 143.78 27.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.067 0.854 . . . . 0.0 110.093 179.854 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 69.56 106.33 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 109.175 -179.634 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 39.0 mttt -67.05 151.65 47.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.427 1.079 . . . . 0.0 109.435 -179.878 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 57.3 m -148.81 147.86 29.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.863 -179.881 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -136.27 76.67 49.89 Favored Pre-proline 0 C--N 1.326 -0.425 0 O-C-N 124.516 1.135 . . . . 0.0 111.126 179.886 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 10.4 Cg_endo -67.65 -17.62 48.0 Favored 'Trans proline' 0 C--N 1.365 1.414 0 O-C-N 124.038 1.546 . . . . 0.0 112.429 -179.13 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -78.15 5.85 9.27 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.16 0.913 . . . . 0.0 112.543 -179.344 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 11.0 t -103.16 38.49 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.004 0.815 . . . . 0.0 109.697 -179.748 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 53.6 t -102.24 134.65 42.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.426 1.079 . . . . 0.0 109.127 179.832 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 99.83 -25.55 27.84 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.461 1.101 . . . . 0.0 110.702 -179.758 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.3 mptt -72.05 164.55 25.95 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 179.773 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -108.71 168.48 9.31 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.405 1.065 . . . . 0.0 110.018 -179.466 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.3 t -45.91 -59.8 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.519 0 O-C-N 124.014 0.821 . . . . 0.0 112.532 -179.502 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -56.44 -35.86 68.34 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.008 0.817 . . . . 0.0 110.534 -179.208 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.5 -52.4 61.43 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.284 0.99 . . . . 0.0 110.198 -179.832 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.91 -2.41 15.01 Favored 'General case' 0 N--CA 1.452 -0.351 0 O-C-N 124.589 1.181 . . . . 0.0 113.253 -179.634 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.3 tpm_? -82.91 -46.42 12.98 Favored 'General case' 0 C--N 1.321 -0.657 0 O-C-N 124.631 1.207 . . . . 0.0 109.627 179.752 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -69.86 -27.5 64.89 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 114.668 -1.151 . . . . 0.0 110.105 179.691 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.408 ' CD1' ' C ' ' A' ' 24' ' ' TYR . 7.7 t80 -65.07 -51.74 59.69 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.547 1.154 . . . . 0.0 111.004 179.993 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 -67.8 -36.59 80.7 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.647 1.217 . . . . 0.0 110.888 -179.938 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 18.4 m -57.01 -30.73 64.43 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.186 0.929 . . . . 0.0 110.977 179.856 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 26.4 mt -86.31 -49.14 7.89 Favored 'General case' 0 C--O 1.238 0.494 0 N-CA-C 114.713 1.375 . . . . 0.0 114.713 -177.798 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 4.9 m170 -92.4 -52.37 4.7 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 114.08 1.141 . . . . 0.0 114.08 -177.48 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 49.7 m-85 -118.31 53.15 1.68 Allowed Pre-proline 0 N--CA 1.45 -0.44 0 N-CA-C 114.82 1.415 . . . . 0.0 114.82 -178.187 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 20.0 Cg_endo -67.29 -8.02 20.76 Favored 'Trans proline' 0 C--N 1.358 1.078 0 O-C-N 123.913 1.48 . . . . 0.0 112.536 179.744 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -96.28 26.32 4.37 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.167 0.917 . . . . 0.0 113.124 -179.03 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -124.32 142.63 51.11 Favored 'General case' 0 CA--C 1.545 0.769 0 O-C-N 124.036 0.835 . . . . 0.0 108.948 179.597 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -86.4 97.43 10.45 Favored 'General case' 0 C--N 1.323 -0.578 0 O-C-N 124.922 1.389 . . . . 0.0 108.015 177.941 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.2 t -85.31 141.92 13.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.695 1.247 . . . . 0.0 111.204 -178.938 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 2.3 m-30 -117.16 154.02 31.81 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 114.936 -1.029 . . . . 0.0 110.431 179.156 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -135.06 106.11 6.65 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.709 1.256 . . . . 0.0 110.759 179.717 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.486 ' CB ' ' CD ' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -146.0 179.77 1.1 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.36 1.038 . . . . 0.0 109.081 -179.898 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.486 ' CD ' ' CB ' ' A' ' 37' ' ' LEU . 9.4 Cg_endo -72.81 162.88 39.98 Favored 'Trans proline' 0 C--N 1.359 1.082 0 O-C-N 124.555 1.818 . . . . 0.0 110.75 179.529 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -79.85 136.13 36.62 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 114.909 -1.041 . . . . 0.0 112.482 -179.192 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 78.3 13.85 82.84 Favored Glycine 0 CA--C 1.529 0.93 0 CA-C-N 115.068 -0.969 . . . . 0.0 112.968 179.086 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.426 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 1.4 t -87.36 -54.63 0.37 Allowed Pre-proline 0 N--CA 1.452 -0.36 0 O-C-N 124.574 0.808 . . . . 0.0 110.865 177.948 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.426 ' CD ' ' N ' ' A' ' 41' ' ' SER . 52.3 Cg_endo -87.65 164.18 7.81 Favored 'Trans proline' 0 C--N 1.358 1.026 0 O-C-N 123.909 1.478 . . . . 0.0 111.547 -179.366 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -143.13 -161.73 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 178.88 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -93.94 82.91 4.27 Favored 'General case' 0 CA--C 1.54 0.583 0 O-C-N 125.018 1.449 . . . . 0.0 109.461 177.685 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 15.2 mt -69.72 -70.87 0.26 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 113.664 -1.607 . . . . 0.0 108.696 179.95 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -116.91 -1.68 11.94 Favored 'General case' 0 N--CA 1.446 -0.641 0 CA-C-N 114.831 -1.077 . . . . 0.0 111.811 -179.484 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 65.12 97.81 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.947 0.88 . . . . 0.0 109.313 -179.799 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.406 ' NH1' ' CG ' ' A' ' 48' ' ' ARG . 3.5 mmt-85 -91.68 136.16 33.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 114.427 -1.26 . . . . 0.0 110.447 -179.593 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 57.2 m-85 -93.23 -44.94 8.08 Favored 'General case' 0 CA--C 1.538 0.512 0 N-CA-C 114.123 1.157 . . . . 0.0 114.123 -179.018 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 46.6 p-10 -93.45 -9.43 38.55 Favored 'General case' 0 C--N 1.323 -0.565 0 O-C-N 124.701 1.251 . . . . 0.0 112.422 -178.423 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 12.3 ttm180 -94.36 122.35 36.83 Favored 'General case' 0 C--N 1.323 -0.584 0 O-C-N 124.024 0.827 . . . . 0.0 110.318 -179.278 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 48.5 t -104.19 119.8 53.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 O-C-N 124.335 1.022 . . . . 0.0 110.088 -179.94 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.749 ' NH2' ' OXT' ' A' ' 70' ' ' GLY . 25.8 mtm-85 -88.72 120.62 30.28 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.121 -0.945 . . . . 0.0 111.197 179.807 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 10.8 t -113.1 144.99 19.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.267 0.98 . . . . 0.0 109.182 179.959 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -123.68 140.86 52.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.552 1.157 . . . . 0.0 111.242 -179.819 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 11.3 p90 -146.48 169.56 18.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 110.405 -179.962 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -94.14 137.77 22.79 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.212 0.945 . . . . 0.0 110.239 -179.34 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 26.5 Cg_endo -79.1 -17.21 11.99 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.307 1.688 . . . . 0.0 111.71 179.511 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -51.53 -28.09 20.24 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.356 1.035 . . . . 0.0 110.877 179.97 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -160.58 -72.12 0.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.424 0.72 . . . . 0.0 110.362 179.601 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 159.16 82.76 0.0 OUTLIER 'General case' 0 CA--C 1.543 0.698 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 178.219 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 40.3 t -142.41 158.67 19.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 O-C-N 124.582 1.176 . . . . 0.0 109.391 -179.686 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 55.9 t -101.5 117.86 47.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.365 1.041 . . . . 0.0 108.976 179.686 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -128.26 27.58 5.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.816 1.322 . . . . 0.0 109.427 -179.819 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 93.0 m-70 -148.51 125.2 11.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.412 179.793 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 78.3 t -53.29 109.67 1.61 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.621 1.2 . . . . 0.0 109.444 -179.993 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_endo -80.76 115.95 3.13 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.508 1.794 . . . . 0.0 110.748 179.669 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 7.2 p-80 -130.15 162.62 28.44 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.277 0.986 . . . . 0.0 110.168 -179.901 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 37.1 t -92.17 159.4 2.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 O-C-N 124.441 1.088 . . . . 0.0 109.138 179.892 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . 0.749 ' OXT' ' NH2' ' A' ' 53' ' ' ARG . . . . . . . . 0 CA--C 1.53 1.007 0 O-C-N 124.504 1.128 . . . . 0.0 110.936 -179.889 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 14.2 p . . . . . 0 N--CA 1.451 -0.39 0 N-CA-C 112.292 0.478 . . . . 0.0 112.292 . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -102.23 56.88 0.8 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.186 0.929 . . . . 0.0 110.247 179.975 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 44.2 m-85 -94.6 61.23 2.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 110.996 -179.902 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -140.52 10.49 2.94 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.406 1.067 . . . . 0.0 112.699 -179.768 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.7 t -48.93 -75.94 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.23 0.606 . . . . 0.0 112.122 -179.116 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -134.78 143.27 47.01 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.431 1.082 . . . . 0.0 111.298 -179.443 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 80.8 mt -149.75 173.67 13.46 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 114.884 -1.053 . . . . 0.0 109.572 179.913 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.3 mttt -71.55 122.33 20.3 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 114.994 -1.003 . . . . 0.0 109.503 -179.826 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.423 ' C ' ' CD1' ' A' ' 10' ' ' PHE . 0.3 OUTLIER -149.27 146.53 27.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.386 1.054 . . . . 0.0 109.805 -179.913 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.423 ' CD1' ' C ' ' A' ' 9' ' ' SER . 0.5 OUTLIER -129.73 76.25 78.66 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.6 1.188 . . . . 0.0 111.456 179.986 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 11.8 Cg_endo -67.29 -44.04 5.34 Favored 'Trans proline' 0 C--N 1.367 1.511 0 O-C-N 123.701 1.369 . . . . 0.0 113.566 -178.822 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.33 -15.37 47.77 Favored 'General case' 0 N--CA 1.448 -0.544 0 O-C-N 124.33 1.019 . . . . 0.0 110.778 -179.759 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 17.3 t -90.88 45.96 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.377 1.048 . . . . 0.0 110.018 -179.552 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 99.0 t -127.9 145.85 34.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.352 1.033 . . . . 0.0 108.87 179.576 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 99.34 -21.54 45.03 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.402 1.064 . . . . 0.0 110.901 -179.485 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.9 mttt -73.01 -157.79 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.251 -1.018 . . . . 0.0 108.251 179.71 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -131.42 161.05 33.36 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.434 1.084 . . . . 0.0 110.172 179.712 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 44.1 t -47.61 -48.87 10.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.547 1.154 . . . . 0.0 112.369 -179.388 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -54.95 -42.09 71.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.064 0.852 . . . . 0.0 112.669 -178.593 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 20.6 mm-40 -62.16 -55.04 32.63 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.321 1.013 . . . . 0.0 109.799 -179.769 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.43 -0.34 12.28 Favored 'General case' 0 C--N 1.327 -0.374 0 O-C-N 124.783 1.302 . . . . 0.0 113.282 -179.344 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 19.9 tpp85 -82.4 -46.66 13.23 Favored 'General case' 0 C--N 1.322 -0.592 0 O-C-N 124.522 1.139 . . . . 0.0 109.608 -179.981 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -75.38 -25.39 57.62 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 114.688 -1.142 . . . . 0.0 110.733 -179.89 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 59.0 t80 -75.45 -49.29 19.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.404 1.065 . . . . 0.0 112.721 -179.259 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 11.2 m-30 -71.85 -21.33 61.69 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.345 1.028 . . . . 0.0 111.633 -179.432 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 4.3 m -78.74 -34.89 45.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.366 1.041 . . . . 0.0 112.428 -179.288 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 17.2 mt -89.81 -46.99 8.19 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 113.637 0.977 . . . . 0.0 113.637 -178.26 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 16.9 m80 -86.67 -33.7 19.99 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.134 0.896 . . . . 0.0 113.009 -177.887 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.477 ' N ' ' CD1' ' A' ' 29' ' ' TYR . 11.9 m-85 -119.27 52.48 1.91 Allowed Pre-proline 0 C--N 1.323 -0.548 0 N-CA-C 113.709 1.003 . . . . 0.0 113.709 -178.865 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.412 ' CD ' ' N ' ' A' ' 29' ' ' TYR . 19.7 Cg_endo -65.92 -21.17 57.53 Favored 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 123.997 1.525 . . . . 0.0 114.003 -178.997 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 8.4 pm0 -89.98 15.2 10.45 Favored 'General case' 0 N--CA 1.451 -0.416 0 O-C-N 124.021 0.825 . . . . 0.0 112.67 -178.838 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . 0.256 1.1 m-30 -123.12 132.67 54.17 Favored 'General case' 0 C--N 1.322 -0.599 0 O-C-N 124.223 0.952 . . . . 0.0 109.747 179.682 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 -88.38 96.06 10.44 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.456 1.098 . . . . 0.0 108.369 178.466 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.7 t -85.84 149.35 4.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.604 1.19 . . . . 0.0 110.504 -179.303 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 4.4 m-30 -134.34 156.96 47.56 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 115.009 -0.996 . . . . 0.0 109.991 179.181 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 34.3 m-85 -136.71 99.77 4.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.913 1.383 . . . . 0.0 110.706 179.794 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -123.51 168.61 12.0 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 109.089 -179.911 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 22.9 Cg_endo -77.74 147.37 24.6 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.458 1.767 . . . . 0.0 111.566 -179.493 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.63 -174.51 0.05 OUTLIER 'General case' 0 N--CA 1.447 -0.582 0 O-C-N 124.429 1.081 . . . . 0.0 110.658 179.73 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 87.6 18.18 57.18 Favored Glycine 0 CA--C 1.528 0.86 0 O-C-N 124.568 1.168 . . . . 0.0 114.9 178.696 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -87.5 162.72 41.6 Favored Pre-proline 0 C--N 1.33 -0.278 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 177.889 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -55.19 -89.41 0.0 OUTLIER 'Trans proline' 0 C--N 1.358 1.06 0 O-C-N 124.362 1.717 . . . . 0.0 112.387 -179.373 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -139.67 -157.99 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.521 0 O-C-N 124.155 0.909 . . . . 0.0 110.328 -179.482 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 22.7 p -95.76 41.53 1.1 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 113.981 -1.463 . . . . 0.0 109.406 179.736 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 31.4 mt -47.01 -32.2 3.77 Favored 'General case' 0 N--CA 1.45 -0.471 0 O-C-N 125.181 1.551 . . . . 0.0 111.466 -179.728 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.79 141.66 49.69 Favored 'General case' 0 N--CA 1.447 -0.609 0 O-C-N 124.461 1.1 . . . . 0.0 109.957 -179.965 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 9.0 tp -121.56 51.01 1.34 Allowed 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.346 1.029 . . . . 0.0 110.179 -179.639 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? -99.96 105.1 16.76 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 114.97 -1.014 . . . . 0.0 109.654 179.549 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 81.2 m-85 -74.87 -31.6 61.66 Favored 'General case' 0 N--CA 1.452 -0.336 0 O-C-N 124.126 0.891 . . . . 0.0 113.359 -178.55 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.4 p-10 -89.18 -9.71 49.85 Favored 'General case' 0 C--N 1.323 -0.56 0 O-C-N 124.572 1.17 . . . . 0.0 111.909 179.676 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 6.5 ttm180 -110.32 125.41 53.14 Favored 'General case' 0 C--N 1.321 -0.634 0 O-C-N 124.058 0.849 . . . . 0.0 109.84 -179.276 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.433 ' CG2' ' CG2' ' A' ' 69' ' ' VAL . 40.1 t -101.32 143.93 13.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.473 1.108 . . . . 0.0 109.544 179.95 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 3.2 mtt180 -118.18 97.04 5.59 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.386 1.054 . . . . 0.0 109.677 179.696 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 15.8 t -91.72 140.59 15.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.753 1.283 . . . . 0.0 109.358 -179.864 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 21.6 m-30 -117.86 139.04 51.66 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.604 1.19 . . . . 0.0 110.763 179.745 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 18.6 p90 -148.33 166.07 29.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 110.642 -179.769 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -101.92 126.5 33.63 Favored Pre-proline 0 C--N 1.324 -0.503 0 CA-C-N 114.91 -1.041 . . . . 0.0 108.758 179.891 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 4.1 Cg_exo -65.11 -15.6 51.1 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.563 1.823 . . . . 0.0 111.865 -179.596 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -51.36 -56.91 12.95 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.285 0.991 . . . . 0.0 111.624 -179.786 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 9.3 t -134.27 25.45 3.84 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.533 0.784 . . . . 0.0 110.245 -179.694 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 46.58 43.35 12.35 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 115.375 -0.83 . . . . 0.0 111.27 179.633 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 7.1 t -110.53 143.67 20.06 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.356 0 CA-C-N 114.802 -1.09 . . . . 0.0 110.523 179.965 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 94.2 t -85.38 142.63 12.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 114.748 -1.114 . . . . 0.0 109.638 179.935 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -143.57 25.36 1.67 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.134 . . . . 0.0 110.042 -179.984 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 97.8 m-70 -148.31 124.58 10.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.371 1.044 . . . . 0.0 109.506 179.755 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 60.3 t -56.46 110.72 2.55 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.514 1.134 . . . . 0.0 109.912 -179.928 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 41.1 Cg_endo -82.47 86.28 1.53 Allowed 'Trans proline' 0 C--N 1.358 1.069 0 O-C-N 124.455 1.766 . . . . 0.0 110.681 179.439 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -90.23 162.26 15.31 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.305 1.003 . . . . 0.0 109.973 -179.838 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.433 ' CG2' ' CG2' ' A' ' 52' ' ' VAL . 1.5 t -97.79 148.68 5.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.518 1.136 . . . . 0.0 109.384 179.957 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.062 0 O-C-N 124.445 1.091 . . . . 0.0 110.981 179.905 . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 8.1 m . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 110.356 -0.239 . . . . 0.0 110.356 . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -145.97 30.66 1.06 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 110.252 -179.968 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 32.5 m-85 -102.59 -39.1 7.23 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.447 1.092 . . . . 0.0 110.942 179.976 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 117.4 -4.3 17.81 Favored Glycine 0 CA--C 1.528 0.875 0 O-C-N 124.468 1.105 . . . . 0.0 112.844 179.982 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.7 t 54.77 81.08 0.11 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.115 0.538 . . . . 0.0 110.117 -179.985 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -144.64 90.62 2.09 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 110.19 -179.966 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 48.4 mt -107.05 144.41 33.75 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.494 1.121 . . . . 0.0 109.656 -179.963 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 13.8 mttt -70.33 135.46 48.87 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.373 1.046 . . . . 0.0 109.251 179.845 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 94.9 p -148.76 141.79 24.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 110.363 -179.796 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -123.0 99.74 40.76 Favored Pre-proline 0 C--N 1.327 -0.411 0 O-C-N 124.382 1.052 . . . . 0.0 110.934 179.636 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_endo -76.97 1.22 8.88 Favored 'Trans proline' 0 C--N 1.364 1.358 0 O-C-N 124.143 1.602 . . . . 0.0 112.863 -179.599 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -71.2 -22.08 62.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.094 0.871 . . . . 0.0 110.926 -179.749 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 10.8 p -106.64 42.79 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.441 1.088 . . . . 0.0 110.052 -179.666 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 5.0 t -106.03 113.16 42.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 109.101 179.603 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 116.4 -19.2 13.14 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.467 1.104 . . . . 0.0 111.151 -179.393 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -73.68 -158.83 0.06 Allowed 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 179.903 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -131.62 165.95 22.52 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.458 1.099 . . . . 0.0 109.775 179.945 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 35.8 t -47.48 -48.29 10.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 123.974 0.796 . . . . 0.0 112.522 -179.443 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -54.44 -41.72 69.73 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 113.015 0.746 . . . . 0.0 113.015 -178.444 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 26.3 mm-40 -63.74 -51.32 65.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.152 0.908 . . . . 0.0 110.346 -179.44 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.67 -4.36 15.35 Favored 'General case' 0 N--CA 1.453 -0.306 0 O-C-N 124.685 1.24 . . . . 0.0 113.302 -179.34 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 5.6 tpp85 -83.1 -46.49 12.72 Favored 'General case' 0 C--N 1.321 -0.631 0 O-C-N 124.782 1.301 . . . . 0.0 109.426 179.82 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -75.08 -30.81 61.04 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 114.811 -1.086 . . . . 0.0 111.228 -179.73 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 18.0 t80 -67.94 -48.72 65.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.313 1.008 . . . . 0.0 111.977 -179.545 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 18.4 m-85 -73.04 -18.3 61.34 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.564 1.165 . . . . 0.0 111.641 -179.596 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.4 m -74.23 -34.48 63.68 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.211 0.945 . . . . 0.0 110.995 179.809 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 16.5 mt -86.9 -44.93 11.29 Favored 'General case' 0 N--CA 1.448 -0.535 0 N-CA-C 114.516 1.302 . . . . 0.0 114.516 -178.051 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 6.1 m170 -80.93 -42.39 21.41 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.083 0.864 . . . . 0.0 112.329 -178.722 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 47.4 m-85 -120.45 75.29 24.6 Favored Pre-proline 0 C--N 1.323 -0.561 0 N-CA-C 114.278 1.214 . . . . 0.0 114.278 -178.883 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_endo -81.4 11.29 3.11 Favored 'Trans proline' 0 C--N 1.358 1.064 0 O-C-N 123.792 1.417 . . . . 0.0 112.734 179.561 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -127.85 22.49 6.28 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.311 1.007 . . . . 0.0 110.692 -179.552 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . 0.253 4.0 m-85 -125.25 128.73 48.75 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.036 -0.984 . . . . 0.0 110.56 -179.392 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -90.4 98.94 12.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.296 0.997 . . . . 0.0 108.358 178.533 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 4.2 t -85.02 151.1 3.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 O-C-N 124.539 1.15 . . . . 0.0 111.196 -179.084 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -131.0 147.74 52.67 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 114.896 -1.047 . . . . 0.0 110.726 179.352 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 16.2 m-85 -129.2 121.58 27.96 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.588 1.18 . . . . 0.0 110.927 -179.957 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -146.05 170.51 7.81 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.264 0.977 . . . . 0.0 109.076 179.916 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 20.3 Cg_endo -75.89 131.48 13.33 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.534 1.808 . . . . 0.0 110.804 179.834 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.481 ' CB ' ' CD2' ' A' ' 65' ' ' HIS . 2.7 pp20? -61.71 155.73 21.99 Favored 'General case' 0 N--CA 1.449 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 111.33 -179.806 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 104.4 -17.44 47.06 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.395 1.059 . . . . 0.0 112.459 179.593 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 17.2 p -103.53 102.14 27.96 Favored Pre-proline 0 C--O 1.253 1.286 0 CA-C-O 118.065 -0.969 . . . . 0.0 111.604 178.688 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -79.64 172.59 14.11 Favored 'Trans proline' 0 C--N 1.357 1.003 0 O-C-N 123.458 1.241 . . . . 0.0 110.654 179.223 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -149.18 -159.73 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.23 0.956 . . . . 0.0 109.088 -179.995 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -92.44 92.41 8.08 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 114.216 -1.356 . . . . 0.0 109.28 177.874 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.5 mt -93.12 64.66 3.86 Favored 'General case' 0 N--CA 1.45 -0.451 0 O-C-N 124.585 1.178 . . . . 0.0 110.878 -178.952 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -67.93 -99.85 0.0 OUTLIER 'General case' 0 N--CA 1.446 -0.646 0 O-C-N 124.457 1.098 . . . . 0.0 109.883 179.666 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -138.43 105.13 5.34 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 123.763 0.664 . . . . 0.0 110.379 -179.672 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 1.032 ' NH2' ' OXT' ' A' ' 70' ' ' GLY . 0.1 OUTLIER -130.89 89.99 2.83 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.333 1.02 . . . . 0.0 110.378 179.98 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 15.1 m-30 -76.37 -26.72 55.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.135 . . . . 0.0 110.619 179.847 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -92.0 -26.73 18.23 Favored 'General case' 0 C--O 1.238 0.454 0 O-C-N 124.605 1.191 . . . . 0.0 113.864 -178.54 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 7.1 ttm180 -101.51 130.53 47.79 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 123.801 0.688 . . . . 0.0 110.809 -179.246 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.498 ' CG2' ' CG2' ' A' ' 69' ' ' VAL . 37.7 t -116.55 146.77 20.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.562 1.164 . . . . 0.0 108.906 179.443 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 3.0 mtt85 -117.23 138.96 51.37 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.63 1.206 . . . . 0.0 110.018 -179.975 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 40.9 t -128.37 151.32 35.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.617 1.198 . . . . 0.0 109.12 -179.896 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -123.89 138.36 54.5 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.638 1.211 . . . . 0.0 110.869 179.763 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 3.2 p90 -143.4 164.23 30.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.619 1.199 . . . . 0.0 110.876 179.64 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -86.82 112.78 49.51 Favored Pre-proline 0 C--N 1.323 -0.55 0 N-CA-C 107.808 -1.182 . . . . 0.0 107.808 179.287 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 8.5 Cg_endo -54.16 -15.1 7.32 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.342 1.706 . . . . 0.0 113.652 -178.763 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -75.68 -71.12 1.19 Allowed Glycine 0 CA--C 1.527 0.806 0 N-CA-C 115.948 1.139 . . . . 0.0 115.948 -178.549 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 13.9 t -101.04 16.53 25.07 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 112.224 0.453 . . . . 0.0 112.224 -178.66 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 50.88 46.37 26.26 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 115.421 -0.809 . . . . 0.0 111.399 178.815 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 40.2 t -118.34 134.84 60.67 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.459 0 O-C-N 124.281 0.988 . . . . 0.0 112.043 -179.982 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 9.4 t -75.9 113.13 14.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 114.726 -1.125 . . . . 0.0 109.053 179.087 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 20.8 p30 -106.22 -18.18 14.08 Favored 'General case' 0 N--CA 1.449 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 111.682 -179.324 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . 0.481 ' CD2' ' CB ' ' A' ' 39' ' ' GLU . 3.9 m-70 -110.44 147.48 33.96 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.131 0.894 . . . . 0.0 110.753 -179.67 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 3.4 t -73.2 117.31 59.09 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.361 1.038 . . . . 0.0 109.069 179.72 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 21.8 Cg_endo -69.8 151.73 68.92 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.536 1.808 . . . . 0.0 110.788 -179.724 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 1.7 p-80 -144.03 163.31 33.87 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.614 1.196 . . . . 0.0 109.753 -179.819 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.498 ' CG2' ' CG2' ' A' ' 52' ' ' VAL . 17.5 t -85.51 126.97 40.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.569 1.168 . . . . 0.0 108.967 179.423 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . 1.032 ' OXT' ' NH2' ' A' ' 48' ' ' ARG . . . . . . . . 0 CA--C 1.53 1.025 0 N-CA-C 110.716 -0.954 . . . . 0.0 110.716 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.9 p . . . . . 0 N--CA 1.454 -0.255 0 CA-C-O 120.644 0.259 . . . . 0.0 110.382 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.427 ' HB3' ' HB ' ' A' ' 13' ' ' VAL . 9.6 m-85 -128.54 86.37 57.89 Favored Pre-proline 0 N--CA 1.451 -0.411 0 O-C-N 124.398 1.061 . . . . 0.0 111.53 179.777 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 4.4 Cg_exo -61.81 -56.79 0.67 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.391 1.732 . . . . 0.0 111.579 -179.34 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.9 tm-20 -51.47 -22.15 2.89 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.106 -0.952 . . . . 0.0 111.108 -179.646 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.427 ' HB ' ' HB3' ' A' ' 10' ' ' PHE . 6.1 t -98.32 49.32 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.094 . . . . 0.0 110.067 -179.808 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.584 HG21 HG22 ' A' ' 66' ' ' VAL . 46.9 t -134.47 110.76 13.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.422 1.076 . . . . 0.0 109.73 179.786 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 125.52 -19.69 6.64 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.444 1.09 . . . . 0.0 111.801 179.753 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 8.2 mttt -78.37 161.39 27.2 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.492 0.76 . . . . 0.0 109.226 -179.169 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.666 HG22 HG22 ' A' ' 62' ' ' VAL . 29.4 p -89.56 163.36 15.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 123.988 0.805 . . . . 0.0 110.782 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 12.9 t -48.1 -57.97 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 O-C-N 124.293 0.995 . . . . 0.0 111.918 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -54.81 -37.75 66.51 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.233 -0.894 . . . . 0.0 111.174 -178.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 7.3 mm100 -62.7 -54.56 37.48 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.543 1.152 . . . . 0.0 109.842 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.09 -0.41 13.94 Favored 'General case' 0 C--N 1.328 -0.358 0 O-C-N 124.753 1.283 . . . . 0.0 113.018 -179.687 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.1 ttm180 -81.63 -47.67 12.72 Favored 'General case' 0 C--N 1.322 -0.624 0 O-C-N 124.558 1.161 . . . . 0.0 109.737 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -76.65 -24.62 53.27 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 114.786 -1.097 . . . . 0.0 110.145 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 27.1 t80 -65.52 -49.9 67.25 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.429 1.08 . . . . 0.0 111.506 -179.628 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.612 ' CD2' HG21 ' A' ' 34' ' ' VAL . 3.4 m-85 -72.45 -23.79 61.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 111.05 -179.821 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 22.0 m -75.19 -31.75 61.04 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.228 0.955 . . . . 0.0 111.685 -179.706 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 17.0 mt -87.86 -45.08 10.59 Favored 'General case' 0 N--CA 1.45 -0.438 0 N-CA-C 113.841 1.052 . . . . 0.0 113.841 -178.224 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 29.8 m170 -84.58 -42.81 15.08 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.103 0.877 . . . . 0.0 113.267 -178.208 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 37.9 m-85 -121.48 73.51 30.58 Favored Pre-proline 0 C--N 1.323 -0.566 0 N-CA-C 114.878 1.436 . . . . 0.0 114.878 -178.374 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 6.6 Cg_endo -72.63 0.86 6.97 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 123.714 1.376 . . . . 0.0 113.343 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -116.09 21.21 13.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.296 0.997 . . . . 0.0 110.741 179.626 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . 0.26 1.8 m-85 -124.44 118.27 26.28 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.035 -0.984 . . . . 0.0 109.959 179.848 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -85.3 90.63 7.96 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.378 1.049 . . . . 0.0 108.328 178.164 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.615 HG22 ' HB ' ' A' ' 52' ' ' VAL . 2.6 t -85.68 150.79 3.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 114.62 -1.173 . . . . 0.0 110.161 -179.302 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 54.3 m-85 -127.05 154.11 45.09 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.265 0.978 . . . . 0.0 110.733 179.308 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.482 ' O ' HD23 ' A' ' 37' ' ' LEU . 41.9 m-85 -140.25 97.34 3.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.105 . . . . 0.0 111.143 -179.699 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.674 HD12 ' NH2' ' A' ' 53' ' ' ARG . 54.8 mt -133.29 161.0 66.42 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.418 1.074 . . . . 0.0 109.184 179.802 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.412 ' HD2' ' HB3' ' A' ' 37' ' ' LEU . 3.1 Cg_exo . . . . . 0 C--N 1.36 1.173 0 O-C-N 124.613 1.849 . . . . 0.0 110.82 -179.485 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 12.9 m-30 . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 111.948 0.351 . . . . 0.0 111.948 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 10.6 p30 -101.54 -12.76 18.25 Favored 'General case' 0 N--CA 1.447 -0.592 0 N-CA-C 115.047 1.499 . . . . 0.0 115.047 -177.809 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 3.1 ttm180 -106.86 120.32 41.71 Favored 'General case' 0 C--N 1.323 -0.583 0 O-C-N 123.843 0.715 . . . . 0.0 111.985 -178.914 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.615 ' HB ' HG22 ' A' ' 34' ' ' VAL . 0.5 OUTLIER -113.36 137.81 45.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.266 0.979 . . . . 0.0 108.755 179.086 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.674 ' NH2' HD12 ' A' ' 37' ' ' LEU . 0.3 OUTLIER -115.94 106.19 13.51 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.682 1.239 . . . . 0.0 109.719 179.748 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 1.02 HG13 ' HB3' ' A' ' 67' ' ' PRO . 9.5 t -97.76 151.17 4.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.495 1.122 . . . . 0.0 109.578 -179.757 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.486 ' O ' HG13 ' A' ' 63' ' ' VAL . 5.5 m-85 -123.36 137.69 54.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.632 1.207 . . . . 0.0 110.522 179.513 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 16.0 p90 -132.65 166.2 22.71 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.664 1.228 . . . . 0.0 110.496 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 46.0 t30 -98.51 130.41 28.14 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 0.0 110.042 -179.403 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -76.01 4.09 5.56 Favored 'Trans proline' 0 C--N 1.362 1.241 0 O-C-N 124.492 1.785 . . . . 0.0 112.689 179.531 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -77.67 -59.85 2.93 Favored Glycine 0 CA--C 1.532 1.118 0 N-CA-C 110.727 -0.949 . . . . 0.0 110.727 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.41 HG23 HG23 ' A' ' 62' ' ' VAL . 11.1 t -126.42 22.34 7.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.58 0.812 . . . . 0.0 110.672 179.809 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 8.0 m-20 50.99 37.88 18.9 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 115.116 -0.947 . . . . 0.0 111.924 178.897 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.666 HG22 HG22 ' A' ' 17' ' ' THR . 25.1 t -109.78 146.2 15.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.287 0.992 . . . . 0.0 109.529 179.425 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.486 HG13 ' O ' ' A' ' 55' ' ' PHE . 48.8 t -88.27 107.15 17.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 114.783 -1.099 . . . . 0.0 109.195 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 20.7 p30 -102.6 -19.65 14.75 Favored 'General case' 0 N--CA 1.452 -0.361 0 O-C-N 124.456 1.098 . . . . 0.0 110.823 -179.753 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' HIS . . . . . 0.417 ' HB2' ' HB2' ' A' ' 55' ' ' PHE . 12.0 m80 -93.9 132.7 38.08 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.192 0.933 . . . . 0.0 109.597 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.584 HG22 HG21 ' A' ' 14' ' ' VAL . 40.5 t -66.63 115.11 21.12 Favored Pre-proline 0 C--N 1.323 -0.561 0 O-C-N 124.661 1.226 . . . . 0.0 109.071 179.751 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 1.02 ' HB3' HG13 ' A' ' 54' ' ' VAL . 18.7 Cg_endo -73.92 135.89 21.98 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.479 1.778 . . . . 0.0 111.051 -179.607 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 9.1 p80 -139.96 160.98 38.7 Favored 'General case' 0 C--N 1.327 -0.377 0 O-C-N 124.53 1.144 . . . . 0.0 110.05 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.534 HG13 HG22 ' A' ' 52' ' ' VAL . 1.2 t . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.797 1.31 . . . . 0.0 108.821 179.288 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 68.0 p . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 110.268 -0.271 . . . . 0.0 110.268 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.446 ' CD1' ' N ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -129.28 100.88 19.68 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 110.85 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 13.3 Cg_endo -71.23 -9.85 26.17 Favored 'Trans proline' 0 C--N 1.363 1.294 0 O-C-N 124.277 1.672 . . . . 0.0 112.588 -179.194 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -71.64 -5.33 32.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.133 0.896 . . . . 0.0 112.415 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -118.95 35.66 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.051 0.844 . . . . 0.0 109.61 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.517 HG21 HG22 ' A' ' 66' ' ' VAL . 37.7 t -102.43 126.49 56.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.46 1.1 . . . . 0.0 109.327 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 105.2 -20.77 37.12 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.454 1.096 . . . . 0.0 110.957 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 23.0 mttm -78.97 161.09 26.89 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 -179.409 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.66 HG22 HG22 ' A' ' 62' ' ' VAL . 49.9 p -90.04 168.62 11.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.054 0.846 . . . . 0.0 110.21 179.829 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.751 HG13 ' CE2' ' A' ' 36' ' ' PHE . 42.3 t -48.09 -60.79 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.562 1.164 . . . . 0.0 111.781 -179.823 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -50.27 -36.92 33.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.213 0.946 . . . . 0.0 111.223 -179.11 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 17.2 mm-40 -65.02 -50.49 66.05 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.518 1.136 . . . . 0.0 110.155 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.77 -3.03 16.69 Favored 'General case' 0 C--N 1.328 -0.335 0 O-C-N 124.668 1.23 . . . . 0.0 112.944 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 18.1 tpp85 -82.88 -45.87 13.69 Favored 'General case' 0 C--N 1.321 -0.634 0 O-C-N 124.624 1.202 . . . . 0.0 109.612 179.796 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.8 mp0 -73.22 -31.99 64.5 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 114.794 -1.094 . . . . 0.0 111.228 -179.798 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 13.9 t80 -64.25 -49.69 70.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.443 1.089 . . . . 0.0 110.873 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 -73.83 -16.82 61.13 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.464 1.102 . . . . 0.0 111.652 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.3 m -76.59 -37.26 56.79 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.151 0.907 . . . . 0.0 111.292 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 10.9 mt -83.49 -44.62 14.51 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 113.663 0.986 . . . . 0.0 113.663 -178.469 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 24.5 m170 -81.34 -44.37 17.71 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.243 0.964 . . . . 0.0 112.226 -178.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 39.3 m-85 -124.36 64.75 38.85 Favored Pre-proline 0 C--O 1.241 0.648 0 N-CA-C 114.674 1.361 . . . . 0.0 114.674 -178.44 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 10.9 Cg_endo -71.18 -1.15 9.14 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 123.524 1.276 . . . . 0.0 113.171 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -107.23 18.05 22.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.275 0.985 . . . . 0.0 111.299 179.856 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . 0.256 1.1 m-30 -123.99 133.63 53.64 Favored 'General case' 0 C--N 1.323 -0.57 0 O-C-N 124.231 0.957 . . . . 0.0 109.574 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -91.07 107.53 19.27 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.4 1.063 . . . . 0.0 108.765 179.281 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.573 HG22 ' HB ' ' A' ' 52' ' ' VAL . 3.7 t -85.95 150.3 3.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.394 1.059 . . . . 0.0 110.687 -179.322 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 33.4 m-85 -146.23 132.44 19.43 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 114.761 -1.109 . . . . 0.0 110.516 179.519 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.751 ' CE2' HG13 ' A' ' 18' ' ' VAL . 50.2 m-85 -106.66 141.01 38.62 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.461 1.101 . . . . 0.0 111.564 -179.694 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 96.9 mt -143.56 159.96 52.7 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.489 1.118 . . . . 0.0 109.038 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_endo . . . . . 0 C--N 1.359 1.12 0 O-C-N 124.402 1.738 . . . . 0.0 111.589 -179.482 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 74.0 m-85 . . . . . 0 CA--C 1.532 0.278 0 N-CA-C 112.024 0.379 . . . . 0.0 112.024 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.7 p-10 -90.95 -9.37 46.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 111.867 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 4.4 ttp180 -94.38 121.03 35.49 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 123.885 0.74 . . . . 0.0 109.991 -179.306 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.573 ' HB ' HG22 ' A' ' 34' ' ' VAL . 2.7 t -94.98 142.96 12.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.417 1.073 . . . . 0.0 109.393 179.73 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 27.4 mtt180 -120.1 129.82 54.36 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.491 1.12 . . . . 0.0 109.523 179.65 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.643 HG13 ' HB3' ' A' ' 67' ' ' PRO . 39.6 t -128.22 154.12 38.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.658 1.224 . . . . 0.0 110.111 -179.547 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.491 ' O ' HG13 ' A' ' 63' ' ' VAL . 15.4 m-85 -120.72 139.77 52.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 110.376 179.395 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 16.9 p90 -145.21 171.16 14.94 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.727 1.267 . . . . 0.0 110.645 -179.624 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -92.21 116.5 66.59 Favored Pre-proline 0 C--N 1.323 -0.554 0 CA-C-N 114.933 -1.03 . . . . 0.0 108.653 -179.772 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 11.5 Cg_endo -61.0 -6.36 6.11 Favored 'Trans proline' 0 C--N 1.362 1.254 0 O-C-N 124.074 1.565 . . . . 0.0 114.684 -178.884 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -93.65 -85.31 1.6 Allowed Glycine 0 CA--C 1.528 0.86 0 O-C-N 123.771 0.67 . . . . 0.0 114.288 -178.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 8.5 t -67.62 -21.09 65.41 Favored 'General case' 0 C--N 1.327 -0.376 0 O-C-N 124.049 0.499 . . . . 0.0 111.465 -179.423 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 8.9 m-20 74.62 69.2 0.09 Allowed 'General case' 0 N--CA 1.45 -0.456 0 O-C-N 124.416 1.072 . . . . 0.0 109.88 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.66 HG22 HG22 ' A' ' 17' ' ' THR . 73.5 t -145.06 146.61 19.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 O-C-N 124.335 1.022 . . . . 0.0 109.076 179.694 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.491 HG13 ' O ' ' A' ' 55' ' ' PHE . 58.6 t -87.58 128.5 40.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.505 1.128 . . . . 0.0 108.838 179.349 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 3.3 p30 -130.92 23.81 4.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.897 1.373 . . . . 0.0 110.156 -179.764 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' HIS . . . . . 0.415 ' HB2' ' HB2' ' A' ' 55' ' ' PHE . 53.6 m-70 -145.78 124.63 12.67 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.45 1.094 . . . . 0.0 109.396 179.734 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.517 HG22 HG21 ' A' ' 14' ' ' VAL . 15.0 t -56.72 112.32 4.37 Favored Pre-proline 0 C--N 1.324 -0.534 0 O-C-N 124.712 1.257 . . . . 0.0 108.736 179.401 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.643 ' HB3' HG13 ' A' ' 54' ' ' VAL . 18.7 Cg_endo -70.46 154.47 64.96 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.562 1.822 . . . . 0.0 111.47 -179.186 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 3.3 p-80 -149.58 163.06 38.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.416 1.072 . . . . 0.0 109.749 -179.591 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.524 HG13 HG22 ' A' ' 52' ' ' VAL . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.365 179.786 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.235 0 N-CA-C 109.8 -0.445 . . . . 0.0 109.8 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -128.0 102.5 21.79 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.425 1.078 . . . . 0.0 111.084 -179.683 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_endo -78.35 7.38 4.15 Favored 'Trans proline' 0 C--N 1.361 1.235 0 O-C-N 124.199 1.631 . . . . 0.0 112.816 -179.617 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 43.0 tp10 -75.44 -23.23 56.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.036 0.835 . . . . 0.0 112.056 -179.109 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.697 HG23 ' HD2' ' A' ' 16' ' ' LYS . 7.6 p -84.58 -12.61 11.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.201 0.938 . . . . 0.0 111.439 -179.563 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.552 HG21 HG22 ' A' ' 66' ' ' VAL . 37.7 t -68.15 93.54 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 123.821 0.701 . . . . 0.0 109.403 179.728 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 140.61 -35.71 1.84 Allowed Glycine 0 CA--C 1.528 0.88 0 O-C-N 124.31 1.007 . . . . 0.0 112.34 179.744 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.697 ' HD2' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -74.4 -163.98 0.23 Allowed 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 -179.329 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.411 ' N ' ' HG3' ' A' ' 16' ' ' LYS . 0.1 OUTLIER -128.32 167.85 16.36 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.225 0.953 . . . . 0.0 109.635 -179.494 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.672 HG22 ' CD1' ' A' ' 36' ' ' PHE . 12.5 t -47.79 -52.21 6.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 123.73 0.644 . . . . 0.0 112.473 -179.542 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -48.75 -42.98 37.23 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.031 0.832 . . . . 0.0 111.545 -178.634 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.432 ' HB3' ' HD3' ' A' ' 16' ' ' LYS . 8.7 mm100 -66.45 -45.53 79.48 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.308 1.005 . . . . 0.0 109.75 179.78 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.14 -6.15 32.1 Favored 'General case' 0 N--CA 1.452 -0.34 0 O-C-N 124.835 1.334 . . . . 0.0 113.172 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.58 -47.29 12.28 Favored 'General case' 0 C--N 1.319 -0.753 0 O-C-N 124.93 1.394 . . . . 0.0 109.162 179.58 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -75.03 -24.7 58.36 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 114.675 -1.148 . . . . 0.0 110.248 179.751 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -73.7 -48.42 32.27 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.358 1.036 . . . . 0.0 111.552 -179.711 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -76.87 -23.89 52.61 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.341 1.025 . . . . 0.0 112.303 -179.19 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 3.3 m -77.72 -34.91 52.47 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.221 0.95 . . . . 0.0 112.091 -179.392 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 19.3 mt -82.77 -47.45 11.93 Favored 'General case' 0 N--CA 1.45 -0.427 0 N-CA-C 113.737 1.014 . . . . 0.0 113.737 -178.404 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.516 ' HB2' ' CD1' ' A' ' 29' ' ' TYR . 26.8 m80 -87.08 -33.76 19.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.054 0.846 . . . . 0.0 112.887 -178.026 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.516 ' CD1' ' HB2' ' A' ' 28' ' ' HIS . 36.0 m-85 -123.84 62.61 26.92 Favored Pre-proline 0 C--N 1.323 -0.566 0 N-CA-C 115.719 1.748 . . . . 0.0 115.719 -177.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -73.94 2.05 6.43 Favored 'Trans proline' 0 C--N 1.358 1.078 0 O-C-N 123.68 1.358 . . . . 0.0 113.075 179.192 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -111.39 13.23 21.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.23 0.956 . . . . 0.0 111.681 179.692 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . 0.261 0.3 OUTLIER -126.81 122.58 35.15 Favored 'General case' 0 C--N 1.322 -0.612 0 O-C-N 124.129 0.893 . . . . 0.0 109.208 179.956 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -86.87 103.88 15.69 Favored 'General case' 0 C--N 1.323 -0.566 0 O-C-N 124.451 1.094 . . . . 0.0 108.765 178.768 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.629 HG22 ' HB ' ' A' ' 52' ' ' VAL . 2.7 t -85.39 151.53 3.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.361 1.038 . . . . 0.0 109.896 -179.572 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -132.4 113.1 12.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.367 1.042 . . . . 0.0 110.713 179.502 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.672 ' CD1' HG22 ' A' ' 18' ' ' VAL . 50.0 m-85 -91.72 120.12 32.18 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.234 0.959 . . . . 0.0 111.013 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.437 ' HB3' ' HD2' ' A' ' 38' ' ' PRO . 4.4 mt -144.48 161.78 42.47 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.19 0.931 . . . . 0.0 109.172 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.437 ' HD2' ' HB3' ' A' ' 37' ' ' LEU . 19.1 Cg_endo . . . . . 0 C--N 1.36 1.18 0 O-C-N 124.554 1.818 . . . . 0.0 110.548 179.345 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 59.9 m-85 . . . . . 0 N--CA 1.452 -0.351 0 CA-C-O 120.432 0.158 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -88.63 -10.59 48.11 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.592 1.182 . . . . 0.0 111.777 179.544 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 2.8 ttp180 -108.9 115.4 30.0 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 123.994 0.809 . . . . 0.0 110.312 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.629 ' HB ' HG22 ' A' ' 34' ' ' VAL . 0.3 OUTLIER -95.86 144.84 9.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 O-C-N 124.482 1.114 . . . . 0.0 109.133 179.672 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 41.1 mtt180 -116.91 97.05 5.75 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.679 1.237 . . . . 0.0 109.878 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 82.7 t -91.46 145.07 7.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.647 1.217 . . . . 0.0 109.36 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.407 ' HB2' ' HB2' ' A' ' 65' ' ' HIS . 4.8 m-85 -118.62 140.25 50.2 Favored 'General case' 0 CA--C 1.535 0.382 0 O-C-N 124.583 1.177 . . . . 0.0 110.569 179.584 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 3.4 p90 -145.83 175.9 10.07 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.436 1.085 . . . . 0.0 110.542 -179.682 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.654 ' HB3' HG22 ' A' ' 60' ' ' THR . 2.5 t-20 -82.08 137.55 46.27 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.323 1.014 . . . . 0.0 109.634 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_endo -52.13 -56.41 2.94 Favored 'Trans proline' 0 C--N 1.361 1.235 0 O-C-N 124.359 1.715 . . . . 0.0 114.284 -178.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -98.02 -44.43 2.62 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 117.302 1.681 . . . . 0.0 117.302 -177.421 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.654 HG22 ' HB3' ' A' ' 57' ' ' ASN . 0.7 OUTLIER -69.28 -31.8 70.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.046 0.498 . . . . 0.0 111.15 -178.428 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 65.9 66.04 0.51 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.24 0.963 . . . . 0.0 110.573 179.276 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.587 HG23 HG23 ' A' ' 60' ' ' THR . 97.8 t -142.27 131.93 23.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 O-C-N 124.403 1.065 . . . . 0.0 109.433 179.526 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.571 HG11 HG22 ' A' ' 13' ' ' VAL . 17.2 t -69.87 119.65 16.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 114.836 -1.074 . . . . 0.0 109.066 179.585 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.449 ' OD1' ' CE1' ' A' ' 65' ' ' HIS . 1.5 p30 -134.64 28.92 3.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.724 1.265 . . . . 0.0 109.426 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' HIS . . . . . 0.449 ' CE1' ' OD1' ' A' ' 64' ' ' ASN . 86.4 m-70 -148.35 123.97 10.45 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 114.899 -1.046 . . . . 0.0 109.163 179.576 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.552 HG22 HG21 ' A' ' 14' ' ' VAL . 5.3 t -65.57 113.35 11.39 Favored Pre-proline 0 C--N 1.323 -0.583 0 O-C-N 124.836 1.335 . . . . 0.0 109.259 179.829 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -83.97 156.75 13.39 Favored 'Trans proline' 0 C--N 1.358 1.057 0 O-C-N 124.384 1.728 . . . . 0.0 110.906 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 6.4 p-80 -148.25 162.48 39.4 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.301 1.0 . . . . 0.0 109.732 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.4 t . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.422 -179.975 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 110.013 -0.366 . . . . 0.0 110.013 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -129.73 92.22 38.1 Favored Pre-proline 0 C--N 1.326 -0.431 0 O-C-N 124.438 1.086 . . . . 0.0 111.44 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -80.1 2.23 8.61 Favored 'Trans proline' 0 C--N 1.367 1.53 0 O-C-N 123.75 1.395 . . . . 0.0 112.618 179.699 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -74.7 -26.82 60.09 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.059 0.849 . . . . 0.0 111.032 -179.588 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.6 p -92.03 41.86 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.919 -179.637 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.7 t -102.47 131.36 50.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.397 1.061 . . . . 0.0 109.096 179.774 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 105.89 -23.89 28.19 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.51 1.131 . . . . 0.0 111.469 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 66.1 mttt -76.19 161.06 29.11 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 108.691 -0.855 . . . . 0.0 108.691 -179.668 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.695 HG22 HG22 ' A' ' 62' ' ' VAL . 71.5 p -88.23 167.34 13.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.073 0.858 . . . . 0.0 110.554 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.484 HG13 ' CD1' ' A' ' 36' ' ' PHE . 17.0 t -48.42 -58.81 0.98 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.477 0 O-C-N 124.429 1.08 . . . . 0.0 111.772 -179.857 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -53.02 -36.49 60.57 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.229 -0.896 . . . . 0.0 111.229 -179.054 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 24.9 mm-40 -64.71 -50.66 66.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.376 1.047 . . . . 0.0 110.349 -179.716 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.29 -3.45 17.25 Favored 'General case' 0 N--CA 1.452 -0.333 0 O-C-N 124.634 1.209 . . . . 0.0 112.958 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.414 ' NH1' ' HB ' ' A' ' 34' ' ' VAL . 0.4 OUTLIER -82.9 -45.56 14.05 Favored 'General case' 0 C--N 1.321 -0.645 0 O-C-N 124.608 1.193 . . . . 0.0 109.682 179.832 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -71.92 -28.38 63.44 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 114.744 -1.116 . . . . 0.0 110.973 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 10.3 t80 -69.69 -49.01 57.53 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.522 1.139 . . . . 0.0 111.033 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 15.5 m-85 -73.93 -19.39 60.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.435 1.084 . . . . 0.0 111.401 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.3 m -75.67 -36.03 60.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.291 0.994 . . . . 0.0 111.342 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 10.8 mt -84.29 -45.76 12.49 Favored 'General case' 0 N--CA 1.448 -0.53 0 N-CA-C 113.504 0.927 . . . . 0.0 113.504 -178.423 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 -87.27 -41.56 13.59 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 113.614 0.968 . . . . 0.0 113.614 -177.778 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.4 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 8.8 m-30 -118.18 51.79 1.38 Allowed Pre-proline 0 C--N 1.324 -0.525 0 N-CA-C 115.12 1.526 . . . . 0.0 115.12 -178.279 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.4 ' CD ' ' N ' ' A' ' 29' ' ' TYR . 19.5 Cg_endo -66.35 -12.7 36.74 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 123.939 1.494 . . . . 0.0 112.803 -179.332 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -90.96 14.97 12.38 Favored 'General case' 0 N--CA 1.452 -0.36 0 O-C-N 124.197 0.936 . . . . 0.0 112.445 -178.895 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.427 ' CZ ' HG11 ' A' ' 69' ' ' VAL 0.266 0.3 OUTLIER -128.75 138.77 52.29 Favored 'General case' 0 C--N 1.322 -0.61 0 O-C-N 124.199 0.937 . . . . 0.0 109.55 -179.49 . . . . . . . . 4 4 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -89.56 111.22 22.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.599 1.187 . . . . 0.0 108.256 178.624 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.42 HG22 ' HB ' ' A' ' 52' ' ' VAL . 3.7 t -85.58 152.05 3.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.633 1.208 . . . . 0.0 110.095 -179.027 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.538 ' CE2' ' CD ' ' A' ' 51' ' ' ARG . 30.0 m-85 -147.97 108.93 4.23 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.025 -0.989 . . . . 0.0 110.804 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.484 ' CD1' HG13 ' A' ' 18' ' ' VAL . 31.6 m-85 -93.01 132.53 37.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.404 1.065 . . . . 0.0 111.383 -179.744 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -145.02 168.57 11.76 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.272 0.983 . . . . 0.0 108.884 179.677 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo . . . . . 0 C--N 1.36 1.151 0 O-C-N 124.583 1.833 . . . . 0.0 110.946 179.614 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 16.4 m-30 . . . . . 0 CA--C 1.534 0.365 0 N-CA-C 110.506 -0.183 . . . . 0.0 110.506 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 10.0 p30 -101.2 -3.52 28.92 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.65 1.219 . . . . 0.0 113.423 -178.174 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.538 ' CD ' ' CE2' ' A' ' 35' ' ' TYR . 1.8 ttp180 -115.79 132.14 56.73 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.238 0.961 . . . . 0.0 111.132 -178.733 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 1.098 HG22 ' CG2' ' A' ' 69' ' ' VAL . 48.3 t -105.0 117.32 50.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.624 1.203 . . . . 0.0 108.493 179.231 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.405 ' HG2' ' NH1' ' A' ' 53' ' ' ARG . 0.0 OUTLIER -100.41 129.14 46.34 Favored 'General case' 0 N--CA 1.449 -0.494 0 O-C-N 124.412 1.07 . . . . 0.0 109.953 179.715 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.701 HG13 ' HB3' ' A' ' 67' ' ' PRO . 2.9 t -123.52 149.89 27.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.438 1.086 . . . . 0.0 109.12 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 11.3 m-85 -119.64 135.35 54.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.539 1.15 . . . . 0.0 110.566 179.478 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 16.2 p90 -136.26 164.42 28.12 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.501 1.126 . . . . 0.0 111.389 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 -90.56 119.33 69.09 Favored Pre-proline 0 C--N 1.324 -0.517 0 CA-C-N 114.446 -1.252 . . . . 0.0 108.244 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -80.06 19.15 1.07 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.066 1.561 . . . . 0.0 114.637 -178.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -101.59 -55.29 0.9 Allowed Glycine 0 CA--C 1.53 1.012 0 N-CA-C 110.746 -0.942 . . . . 0.0 110.746 179.685 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.428 HG23 HG23 ' A' ' 62' ' ' VAL . 15.2 t -114.59 5.88 15.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 0.751 . . . . 0.0 112.362 179.838 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 73.7 m-80 60.27 62.62 1.55 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 123.881 0.738 . . . . 0.0 110.088 179.7 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.695 HG22 HG22 ' A' ' 17' ' ' THR . 66.9 t -142.52 138.39 28.88 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.4 0 O-C-N 124.447 1.092 . . . . 0.0 110.094 179.629 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 60.1 t -78.89 137.74 21.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.363 1.04 . . . . 0.0 109.945 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -145.98 29.57 1.09 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.522 1.139 . . . . 0.0 109.45 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 63.6 m-70 -147.68 130.5 16.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.738 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 41.5 t -66.27 114.93 19.08 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.382 1.051 . . . . 0.0 109.571 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.701 ' HB3' HG13 ' A' ' 54' ' ' VAL . 36.2 Cg_endo -79.06 153.92 25.26 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.466 1.772 . . . . 0.0 111.214 179.572 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 11.2 p80 -143.97 160.74 40.3 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.421 1.076 . . . . 0.0 109.726 179.558 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 1.098 ' CG2' HG22 ' A' ' 52' ' ' VAL . 92.8 t . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.575 1.172 . . . . 0.0 108.862 179.822 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.1 m . . . . . 0 N--CA 1.454 -0.253 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -125.03 91.84 48.62 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.606 1.191 . . . . 0.0 110.695 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -75.38 -4.72 15.71 Favored 'Trans proline' 0 C--N 1.367 1.525 0 O-C-N 123.815 1.429 . . . . 0.0 112.893 -179.409 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -76.93 -19.16 57.71 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.159 0.912 . . . . 0.0 111.562 -179.625 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 2.9 t -93.73 39.27 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 O-C-N 124.253 0.97 . . . . 0.0 109.527 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 55.6 t -104.99 137.26 35.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.11 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 110.08 -26.57 13.47 Favored Glycine 0 CA--C 1.532 1.097 0 O-C-N 124.546 1.154 . . . . 0.0 110.586 -179.718 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.424 ' HB3' ' HB3' ' A' ' 20' ' ' GLN . 19.1 mttt -76.78 162.55 27.57 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.596 0.821 . . . . 0.0 108.815 -179.728 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.678 HG22 HG22 ' A' ' 62' ' ' VAL . 70.5 p -98.33 168.83 9.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.158 0.911 . . . . 0.0 110.201 179.754 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.631 HG13 ' CG ' ' A' ' 36' ' ' PHE . 73.0 t -49.57 -53.47 9.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.115 . . . . 0.0 111.316 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.11 -36.85 75.89 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.313 1.008 . . . . 0.0 110.563 -179.417 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.482 ' HA ' ' NE2' ' A' ' 20' ' ' GLN . 0.0 OUTLIER -63.67 -54.14 40.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.555 1.16 . . . . 0.0 109.575 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -74.02 0.49 13.48 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.44 1.087 . . . . 0.0 112.81 179.683 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.507 HH21 ' HD2' ' A' ' 36' ' ' PHE . 18.4 tpp85 -81.46 -46.25 14.83 Favored 'General case' 0 C--N 1.322 -0.593 0 O-C-N 124.348 1.03 . . . . 0.0 109.289 179.594 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -72.44 -30.62 64.75 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 114.582 -1.19 . . . . 0.0 109.858 179.508 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 36.0 t80 -65.29 -56.02 15.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.588 1.18 . . . . 0.0 110.85 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.414 ' CG ' HG21 ' A' ' 34' ' ' VAL . 5.7 m-85 -66.87 -21.87 65.99 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.639 1.212 . . . . 0.0 110.972 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.4 m -76.53 -36.21 57.83 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.311 1.007 . . . . 0.0 111.65 -179.794 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.4 mt -82.37 -45.33 15.01 Favored 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 113.964 1.098 . . . . 0.0 113.964 -178.363 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 21.6 m170 -83.02 -42.15 17.84 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.059 0.849 . . . . 0.0 112.96 -178.544 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 45.8 m-85 -121.71 72.67 31.45 Favored Pre-proline 0 C--O 1.24 0.56 0 N-CA-C 115.031 1.493 . . . . 0.0 115.031 -178.531 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_endo -76.62 5.68 4.62 Favored 'Trans proline' 0 C--N 1.358 1.07 0 O-C-N 123.601 1.316 . . . . 0.0 113.445 179.708 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -121.4 21.21 11.1 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.361 1.038 . . . . 0.0 110.512 179.24 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . 0.254 1.1 m-30 -122.98 126.14 46.6 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 114.979 -1.01 . . . . 0.0 109.665 179.542 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -89.81 98.16 11.61 Favored 'General case' 0 C--N 1.322 -0.591 0 O-C-N 124.469 1.106 . . . . 0.0 108.683 178.917 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.521 HG22 ' HB ' ' A' ' 52' ' ' VAL . 2.5 t -85.87 151.29 3.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.551 1.157 . . . . 0.0 109.201 -179.713 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -137.34 122.74 19.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 110.973 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.631 ' CG ' HG13 ' A' ' 18' ' ' VAL . 42.3 m-85 -101.54 116.91 33.82 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.229 0.956 . . . . 0.0 110.689 179.81 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.502 HD23 ' O ' ' A' ' 36' ' ' PHE . 0.2 OUTLIER -142.22 -178.93 0.87 Allowed Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.255 0.972 . . . . 0.0 108.841 -179.901 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.497 ' CD ' ' CB ' ' A' ' 37' ' ' LEU . 9.9 Cg_endo . . . . . 0 C--N 1.359 1.11 0 O-C-N 124.311 1.69 . . . . 0.0 110.476 179.401 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 13.7 m-30 . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 112.595 0.591 . . . . 0.0 112.595 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 10.8 p-10 -89.35 -10.1 47.94 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.471 1.107 . . . . 0.0 111.866 179.611 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -98.94 119.94 38.55 Favored 'General case' 0 C--N 1.323 -0.575 0 O-C-N 123.934 0.771 . . . . 0.0 109.873 -179.372 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.66 HG13 HG22 ' A' ' 69' ' ' VAL . 1.9 t -109.44 148.77 12.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.258 0.974 . . . . 0.0 110.051 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 1.3 mtt85 -120.19 135.26 55.04 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 114.77 -1.105 . . . . 0.0 109.711 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.48 HG13 ' HB3' ' A' ' 67' ' ' PRO . 17.3 t -129.32 136.99 58.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.611 1.194 . . . . 0.0 109.255 -179.817 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.426 ' O ' HG13 ' A' ' 63' ' ' VAL . 44.4 m-85 -105.71 144.23 32.74 Favored 'General case' 0 C--N 1.328 -0.337 0 O-C-N 124.445 1.091 . . . . 0.0 111.22 179.733 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 15.7 p90 -148.73 169.26 20.83 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 114.939 -1.028 . . . . 0.0 110.469 -179.593 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.445 ' HA ' ' HD3' ' A' ' 58' ' ' PRO . 3.4 t-20 -78.75 133.75 61.91 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.316 1.01 . . . . 0.0 109.701 -179.665 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.445 ' HD3' ' HA ' ' A' ' 57' ' ' ASN . 54.2 Cg_endo -85.24 38.02 0.63 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.239 1.652 . . . . 0.0 113.198 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -146.66 -67.28 0.01 OUTLIER Glycine 0 CA--C 1.531 1.045 0 N-CA-C 110.752 -0.939 . . . . 0.0 110.752 179.767 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.528 HG23 HG23 ' A' ' 62' ' ' VAL . 7.4 t -83.43 -19.93 35.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 0.757 . . . . 0.0 110.96 179.752 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 8.7 m-20 69.38 68.41 0.26 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.342 1.026 . . . . 0.0 109.33 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.678 HG22 HG22 ' A' ' 17' ' ' THR . 49.9 t -143.69 139.88 25.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.201 179.724 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.426 HG13 ' O ' ' A' ' 55' ' ' PHE . 45.4 t -80.87 125.89 39.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 108.893 179.517 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 4.1 p30 -134.44 24.73 3.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.678 1.236 . . . . 0.0 109.715 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 64.2 m-70 -143.28 144.97 32.33 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.315 1.009 . . . . 0.0 109.376 179.776 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 59.5 t -70.92 115.88 40.64 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.606 1.191 . . . . 0.0 109.089 179.765 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.48 ' HB3' HG13 ' A' ' 54' ' ' VAL . 27.7 Cg_endo -74.63 148.32 36.9 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.544 1.813 . . . . 0.0 110.665 -179.643 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -148.5 163.22 37.85 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.481 1.113 . . . . 0.0 109.753 -179.796 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.66 HG22 HG13 ' A' ' 52' ' ' VAL . 97.6 t . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 109.384 179.787 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.431 ' HB2' ' HB3' ' A' ' 68' ' ' HIS . 1.5 t . . . . . 0 N--CA 1.455 -0.188 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -127.71 99.43 26.42 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.143 . . . . 0.0 111.067 -179.653 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_endo -77.2 -0.96 11.12 Favored 'Trans proline' 0 C--N 1.363 1.311 0 O-C-N 124.067 1.562 . . . . 0.0 112.498 179.624 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -77.15 -30.59 55.08 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 123.857 0.723 . . . . 0.0 111.866 -179.17 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.674 HG23 ' HD2' ' A' ' 16' ' ' LYS . 12.1 p -91.85 55.77 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.199 0.937 . . . . 0.0 110.273 -179.371 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 26.9 t -122.7 115.68 46.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.321 1.013 . . . . 0.0 109.142 179.71 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 118.92 -20.14 10.01 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.464 1.103 . . . . 0.0 111.603 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.674 ' HD2' HG23 ' A' ' 13' ' ' VAL . 5.3 ptpt -79.66 162.03 25.49 Favored 'General case' 0 C--N 1.327 -0.376 0 O-C-N 124.626 0.839 . . . . 0.0 108.762 -179.136 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.705 HG22 HG22 ' A' ' 62' ' ' VAL . 25.4 p -88.27 166.46 14.3 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.127 0.892 . . . . 0.0 111.477 -179.397 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.695 HG13 ' CD1' ' A' ' 36' ' ' PHE . 15.5 t -49.26 -58.26 1.4 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 111.325 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -52.04 -37.51 53.83 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.174 -0.921 . . . . 0.0 110.592 -179.25 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 7.1 mm-40 -63.75 -52.32 60.9 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.127 . . . . 0.0 110.034 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.04 -0.27 13.41 Favored 'General case' 0 N--CA 1.451 -0.395 0 O-C-N 124.565 1.165 . . . . 0.0 113.156 -179.707 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 7.1 tpp85 -84.43 -46.43 11.69 Favored 'General case' 0 C--N 1.322 -0.625 0 O-C-N 124.559 1.162 . . . . 0.0 109.865 -179.68 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -75.29 -24.72 57.56 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 114.747 -1.115 . . . . 0.0 110.808 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 57.4 t80 -71.55 -48.68 46.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 112.151 -179.622 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -71.15 -22.88 62.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.449 1.093 . . . . 0.0 112.287 -179.437 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 24.4 m -76.37 -32.25 58.51 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.297 0.998 . . . . 0.0 111.915 -179.367 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 15.5 mt -88.15 -46.0 9.64 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 113.712 1.004 . . . . 0.0 113.712 -178.318 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -84.98 -38.94 18.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.088 0.867 . . . . 0.0 113.085 -178.417 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 47.1 m-85 -123.58 57.69 12.38 Favored Pre-proline 0 C--N 1.323 -0.562 0 N-CA-C 114.288 1.218 . . . . 0.0 114.288 -178.295 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_endo -68.57 -8.82 24.27 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 123.876 1.461 . . . . 0.0 113.5 -179.006 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -98.05 17.17 19.01 Favored 'General case' 0 C--N 1.327 -0.381 0 O-C-N 124.205 0.941 . . . . 0.0 111.748 -179.794 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . 0.267 3.2 m-85 -128.07 129.95 47.45 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.202 -0.908 . . . . 0.0 109.992 -179.451 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 83.6 m-20 -89.85 98.27 11.67 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.387 1.055 . . . . 0.0 108.491 178.763 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 6.0 t -85.3 148.84 4.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.132 . . . . 0.0 110.821 -179.481 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.524 ' CE2' ' HD3' ' A' ' 51' ' ' ARG . 3.8 m-30 -132.51 141.89 48.97 Favored 'General case' 0 CA--C 1.543 0.686 0 O-C-N 124.426 1.079 . . . . 0.0 109.825 179.119 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.695 ' CD1' HG13 ' A' ' 18' ' ' VAL . 32.4 m-85 -120.49 126.81 51.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.816 1.322 . . . . 0.0 110.892 -179.875 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.444 ' HB3' ' HD2' ' A' ' 38' ' ' PRO . 12.2 mt -145.22 160.95 44.05 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.218 0.949 . . . . 0.0 109.024 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.444 ' HD2' ' HB3' ' A' ' 37' ' ' LEU . 5.9 Cg_endo . . . . . 0 C--N 1.36 1.168 0 O-C-N 124.442 1.759 . . . . 0.0 110.574 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 18.0 m-30 . . . . . 0 CA--C 1.536 0.429 0 N-CA-C 112.749 0.648 . . . . 0.0 112.749 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -92.44 -7.75 46.68 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.704 1.252 . . . . 0.0 112.206 -179.468 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.524 ' HD3' ' CE2' ' A' ' 35' ' ' TYR . 8.0 ttm180 -98.61 125.45 43.87 Favored 'General case' 0 C--N 1.323 -0.56 0 O-C-N 124.089 0.868 . . . . 0.0 110.526 -179.064 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 1.253 ' CG2' HG22 ' A' ' 69' ' ' VAL . 53.9 t -111.9 123.48 67.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.421 1.076 . . . . 0.0 109.088 179.194 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 66.8 mtt85 -88.95 136.7 32.87 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.025 -0.989 . . . . 0.0 111.103 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.493 HG22 ' CB ' ' A' ' 67' ' ' PRO . 62.3 t -131.54 151.95 36.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.276 0.985 . . . . 0.0 109.248 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.452 ' O ' HG13 ' A' ' 63' ' ' VAL . 24.3 m-85 -131.56 142.08 49.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 111.131 -179.807 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.44 ' C ' ' CD1' ' A' ' 56' ' ' TYR . 5.4 p90 -140.05 165.43 27.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.604 1.19 . . . . 0.0 110.467 179.661 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.401 ' HA ' ' HD3' ' A' ' 58' ' ' PRO . 8.8 t-20 -102.16 133.65 20.51 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 0.0 109.801 -179.544 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 57' ' ' ASN . 23.9 Cg_endo -78.87 -17.97 11.9 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.42 1.748 . . . . 0.0 111.719 179.667 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -50.12 -54.08 20.57 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.349 1.031 . . . . 0.0 111.831 -179.679 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 14.9 t -132.62 13.77 4.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 0.76 . . . . 0.0 111.903 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 5.9 m120 58.09 61.18 2.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.039 0.837 . . . . 0.0 109.654 179.738 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.705 HG22 HG22 ' A' ' 17' ' ' THR . 38.8 t -140.72 142.47 30.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 O-C-N 124.529 1.143 . . . . 0.0 110.333 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.452 HG13 ' O ' ' A' ' 55' ' ' PHE . 47.8 t -81.46 137.24 21.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 114.957 -1.02 . . . . 0.0 109.557 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 37.4 p30 -147.97 34.33 0.83 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.538 1.149 . . . . 0.0 109.878 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 39.1 m80 -147.89 124.61 11.16 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.481 1.113 . . . . 0.0 109.59 179.735 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 14.9 t -58.05 111.28 3.32 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.45 1.094 . . . . 0.0 109.968 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.493 ' CB ' HG22 ' A' ' 54' ' ' VAL . 42.1 Cg_endo -82.95 104.84 1.3 Allowed 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.475 1.776 . . . . 0.0 110.797 179.531 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.431 ' HB3' ' HB2' ' A' ' 9' ' ' SER . 0.1 OUTLIER -107.41 163.25 13.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.328 1.017 . . . . 0.0 109.756 -179.901 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 1.253 HG22 ' CG2' ' A' ' 52' ' ' VAL . 69.2 t . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 108.89 179.568 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.1 m . . . . . 0 N--CA 1.454 -0.24 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.4 ' CD1' ' N ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -127.27 98.7 29.11 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 111.047 -179.754 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 24.8 Cg_endo -75.33 -4.37 15.22 Favored 'Trans proline' 0 C--N 1.363 1.336 0 O-C-N 124.055 1.555 . . . . 0.0 112.676 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -72.97 -17.91 61.42 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.061 0.85 . . . . 0.0 111.302 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.562 HG13 ' HD3' ' A' ' 16' ' ' LYS . 5.5 t -93.83 32.4 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.218 0.949 . . . . 0.0 110.01 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 9.0 t -94.78 108.85 21.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.385 1.053 . . . . 0.0 109.103 179.78 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 118.52 -19.54 10.57 Favored Glycine 0 CA--C 1.531 1.085 0 O-C-N 124.573 1.171 . . . . 0.0 111.287 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.562 ' HD3' HG13 ' A' ' 13' ' ' VAL . 13.4 mtpt -73.78 162.61 28.95 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.571 0.807 . . . . 0.0 108.824 -179.815 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -104.55 165.5 11.02 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.183 0.927 . . . . 0.0 109.856 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.768 HG13 ' CE2' ' A' ' 36' ' ' PHE . 21.1 t -48.62 -49.94 13.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.028 0.83 . . . . 0.0 111.944 -179.684 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -54.06 -42.04 68.81 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.234 0.959 . . . . 0.0 111.309 -178.761 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 5.9 mm100 -62.4 -54.17 44.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.385 1.053 . . . . 0.0 110.402 -179.666 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.76 -0.34 13.02 Favored 'General case' 0 C--N 1.328 -0.368 0 O-C-N 124.605 1.191 . . . . 0.0 113.186 -179.412 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.428 ' HA ' ' HD3' ' A' ' 22' ' ' ARG . 14.2 tpp85 -83.32 -45.99 13.12 Favored 'General case' 0 C--N 1.322 -0.62 0 O-C-N 124.465 1.103 . . . . 0.0 109.669 -179.822 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -77.34 -22.98 51.0 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 114.726 -1.125 . . . . 0.0 110.829 -179.617 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 40.8 t80 -71.53 -50.04 35.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.389 1.056 . . . . 0.0 111.957 -179.478 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.582 ' CD2' HG21 ' A' ' 34' ' ' VAL . 22.0 m-30 -72.38 -25.61 61.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.372 1.045 . . . . 0.0 111.793 -179.633 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 17.1 m -74.17 -32.37 63.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.321 1.013 . . . . 0.0 111.153 -179.752 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 19.1 mt -92.06 -46.1 7.96 Favored 'General case' 0 N--CA 1.45 -0.446 0 N-CA-C 113.971 1.1 . . . . 0.0 113.971 -178.227 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 18.5 m170 -85.53 -36.52 20.43 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 113.49 0.922 . . . . 0.0 113.49 -178.129 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -123.83 62.66 26.96 Favored Pre-proline 0 C--O 1.241 0.631 0 N-CA-C 115.074 1.509 . . . . 0.0 115.074 -178.153 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 13.0 Cg_endo -70.8 -2.07 10.33 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 123.618 1.325 . . . . 0.0 113.297 -179.543 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -107.09 18.24 21.98 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.338 1.024 . . . . 0.0 111.358 179.84 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . 0.275 3.1 m-85 -129.53 122.26 28.85 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.108 -0.951 . . . . 0.0 110.079 -179.157 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -87.57 97.96 11.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.318 1.011 . . . . 0.0 108.572 178.366 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.582 HG21 ' CD2' ' A' ' 25' ' ' PHE . 3.4 t -84.86 151.55 3.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.905 -179.573 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.479 ' CG ' ' NH1' ' A' ' 53' ' ' ARG . 45.6 m-85 -139.78 131.78 27.83 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.362 1.039 . . . . 0.0 110.801 179.663 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.768 ' CE2' HG13 ' A' ' 18' ' ' VAL . 50.2 m-85 -103.39 134.08 47.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.316 1.01 . . . . 0.0 111.009 -179.807 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.457 HD23 ' O ' ' A' ' 36' ' ' PHE . 0.2 OUTLIER -146.25 162.03 36.56 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.333 1.021 . . . . 0.0 109.12 -179.934 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.359 1.104 0 O-C-N 124.517 1.798 . . . . 0.0 110.638 179.355 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 15.7 m-30 . . . . . 0 CA--C 1.537 0.471 0 N-CA-C 111.707 0.262 . . . . 0.0 111.707 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -93.5 -11.75 31.26 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.842 1.339 . . . . 0.0 112.621 -178.673 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.454 ' HG2' HH11 ' A' ' 53' ' ' ARG . 2.4 ttp180 -91.44 109.67 20.96 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.008 0.818 . . . . 0.0 111.328 -179.387 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 1.115 ' CG2' HG22 ' A' ' 69' ' ' VAL . 84.1 t -107.53 121.56 60.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 O-C-N 124.301 1.001 . . . . 0.0 109.511 179.642 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.479 ' NH1' ' CG ' ' A' ' 35' ' ' TYR . 9.6 mmm180 -88.47 142.87 27.36 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.035 -0.984 . . . . 0.0 111.409 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 61.7 t -130.96 154.54 40.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.326 1.016 . . . . 0.0 108.945 179.802 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.437 ' HB2' ' HB2' ' A' ' 65' ' ' HIS . 14.5 m-85 -127.46 137.26 52.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.591 1.182 . . . . 0.0 111.594 -179.775 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 12.1 p90 -146.5 168.45 21.17 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.367 1.042 . . . . 0.0 110.694 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 41.9 t30 -98.72 131.25 26.1 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.496 1.122 . . . . 0.0 109.881 -179.686 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 27.7 Cg_endo -79.0 7.42 4.36 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.42 1.747 . . . . 0.0 112.553 179.688 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -88.88 -74.63 1.29 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.184 0.927 . . . . 0.0 110.786 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.439 HG23 HG23 ' A' ' 62' ' ' VAL . 15.4 t -97.03 2.8 51.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 0.743 . . . . 0.0 112.402 179.761 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 7.8 m120 60.69 61.32 1.72 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 123.934 0.771 . . . . 0.0 110.029 179.636 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.439 HG23 HG23 ' A' ' 60' ' ' THR . 69.3 t -142.04 151.26 18.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 O-C-N 124.417 1.073 . . . . 0.0 109.309 179.693 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 99.0 t -83.51 138.18 19.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.364 1.04 . . . . 0.0 109.83 -179.777 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 37.4 p30 -141.74 25.11 2.0 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.538 1.149 . . . . 0.0 109.541 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' HIS . . . . . 0.437 ' HB2' ' HB2' ' A' ' 55' ' ' PHE . 71.7 m-70 -148.53 128.74 13.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.436 1.085 . . . . 0.0 109.541 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 38.5 t -60.66 114.52 10.47 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.142 . . . . 0.0 109.388 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -74.85 147.75 35.06 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.51 1.795 . . . . 0.0 110.956 179.512 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -147.96 162.5 39.2 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.433 1.083 . . . . 0.0 110.065 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 1.115 HG22 ' CG2' ' A' ' 52' ' ' VAL . 55.3 t . . . . . 0 C--N 1.325 -0.457 0 CA-C-N 114.907 -1.042 . . . . 0.0 109.302 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 54.4 p . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -124.22 99.55 37.06 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.534 1.146 . . . . 0.0 110.763 179.754 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -73.46 -7.05 19.79 Favored 'Trans proline' 0 C--N 1.364 1.351 0 O-C-N 124.199 1.631 . . . . 0.0 112.776 -179.578 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 65.9 tt0 -72.76 -19.95 61.27 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.177 0.923 . . . . 0.0 111.113 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 3.4 t -94.15 36.9 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.298 0.999 . . . . 0.0 109.675 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 7.0 t -102.6 111.69 33.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.189 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 116.25 -15.3 15.56 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.456 1.097 . . . . 0.0 112.007 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 11.6 mptt -71.76 161.04 31.58 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 179.776 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.731 HG22 HG22 ' A' ' 62' ' ' VAL . 82.6 p -97.45 165.19 12.12 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.536 1.147 . . . . 0.0 109.553 178.265 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.441 HG23 ' H ' ' A' ' 18' ' ' VAL . 13.4 t -50.48 -47.35 27.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.258 0.974 . . . . 0.0 110.414 179.786 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -64.87 -37.24 86.97 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 114.947 -1.024 . . . . 0.0 111.339 -179.542 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.2 -53.85 49.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.66 -179.809 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -74.38 -1.43 20.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.531 1.144 . . . . 0.0 113.242 -179.467 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -80.47 -45.72 17.08 Favored 'General case' 0 C--N 1.322 -0.614 0 O-C-N 124.464 1.102 . . . . 0.0 109.746 179.706 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -75.37 -30.14 60.1 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 114.627 -1.169 . . . . 0.0 111.127 -179.463 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 62.0 t80 -68.67 -48.61 63.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.364 1.04 . . . . 0.0 111.783 -179.649 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -71.86 -27.46 62.89 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.59 1.181 . . . . 0.0 112.674 -179.286 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 23.6 m -78.58 -32.79 47.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.237 0.96 . . . . 0.0 112.599 -179.276 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 12.6 mt -84.58 -47.69 10.29 Favored 'General case' 0 N--CA 1.45 -0.444 0 N-CA-C 113.817 1.043 . . . . 0.0 113.817 -178.237 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 24.0 m170 -87.85 -33.75 18.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.069 0.856 . . . . 0.0 113.139 -177.9 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 50.6 m-85 -124.69 56.61 12.99 Favored Pre-proline 0 C--N 1.324 -0.528 0 N-CA-C 114.052 1.13 . . . . 0.0 114.052 -178.386 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -69.11 -6.41 18.21 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.025 1.54 . . . . 0.0 112.914 -179.375 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -98.43 15.38 24.98 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.154 0.909 . . . . 0.0 111.912 -179.834 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . 0.257 1.1 m-30 -123.48 131.97 53.79 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.277 -0.874 . . . . 0.0 109.51 179.399 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -89.66 97.57 11.27 Favored 'General case' 0 C--N 1.323 -0.571 0 O-C-N 124.568 1.168 . . . . 0.0 108.61 178.907 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.606 HG22 ' HB ' ' A' ' 52' ' ' VAL . 2.6 t -87.81 151.0 3.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 -179.324 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 17.2 m-85 -137.33 107.86 6.54 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.272 0.982 . . . . 0.0 110.877 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.484 ' O ' HD23 ' A' ' 37' ' ' LEU . 38.4 m-85 -91.37 110.01 21.31 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.293 0.995 . . . . 0.0 110.84 179.7 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.494 ' CB ' ' CD ' ' A' ' 38' ' ' PRO . 0.2 OUTLIER -144.81 179.42 1.17 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.248 0.968 . . . . 0.0 108.974 -179.935 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.494 ' CD ' ' CB ' ' A' ' 37' ' ' LEU . 1.8 Cg_endo . . . . . 0 C--N 1.358 1.077 0 O-C-N 124.522 1.801 . . . . 0.0 110.49 179.524 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 33.9 m-85 . . . . . 0 CA--C 1.536 0.408 0 CA-C-O 120.453 0.168 . . . . 0.0 111.07 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -88.73 -12.46 42.18 Favored 'General case' 0 C--N 1.323 -0.56 0 O-C-N 124.603 1.189 . . . . 0.0 111.833 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 7.1 ttp180 -104.24 117.15 33.54 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 123.981 0.801 . . . . 0.0 109.417 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.606 ' HB ' HG22 ' A' ' 34' ' ' VAL . 0.3 OUTLIER -97.81 140.89 16.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 O-C-N 124.458 1.099 . . . . 0.0 110.04 -179.579 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.429 ' CZ ' ' HB2' ' A' ' 53' ' ' ARG . 0.0 OUTLIER -118.21 92.29 3.79 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 124.524 1.14 . . . . 0.0 109.338 179.441 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.448 HG11 ' CE1' ' A' ' 36' ' ' PHE . 86.5 t -86.9 148.73 4.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.731 1.27 . . . . 0.0 109.974 -179.61 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.503 ' O ' HG13 ' A' ' 63' ' ' VAL . 22.0 m-30 -118.72 144.54 46.17 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.521 1.138 . . . . 0.0 110.89 179.801 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.411 ' CD1' ' C ' ' A' ' 56' ' ' TYR . 8.8 p90 -145.31 163.21 35.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.66 1.225 . . . . 0.0 110.304 179.554 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -101.6 108.3 55.08 Favored Pre-proline 0 C--N 1.324 -0.542 0 O-C-N 124.624 1.202 . . . . 0.0 108.558 -179.527 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -60.05 -11.97 17.46 Favored 'Trans proline' 0 C--N 1.362 1.264 0 O-C-N 124.387 1.73 . . . . 0.0 113.058 -178.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -58.34 -67.36 2.24 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.314 1.009 . . . . 0.0 110.898 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.482 ' O ' HG23 ' A' ' 62' ' ' VAL . 13.3 t -112.22 19.56 17.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.553 0.796 . . . . 0.0 111.035 179.684 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 62.9 m-20 50.82 44.26 28.07 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.522 -0.763 . . . . 0.0 111.458 179.048 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.731 HG22 HG22 ' A' ' 17' ' ' THR . 64.2 t -125.37 146.64 30.74 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.37 0 O-C-N 124.302 1.001 . . . . 0.0 109.835 179.434 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.503 HG13 ' O ' ' A' ' 55' ' ' PHE . 95.3 t -86.11 128.51 39.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.596 1.185 . . . . 0.0 109.841 179.836 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 11.4 p-10 -134.33 28.43 3.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.854 1.346 . . . . 0.0 109.256 179.548 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' HIS . . . . . 0.413 ' HB2' ' HB2' ' A' ' 55' ' ' PHE . 67.9 m-70 -139.0 124.2 19.09 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 114.777 -1.101 . . . . 0.0 109.25 179.494 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 24.9 t -63.14 113.83 10.67 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.804 1.315 . . . . 0.0 108.845 179.606 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 27.3 Cg_endo -75.8 146.47 29.92 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.561 1.822 . . . . 0.0 110.781 -179.445 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -142.71 163.25 33.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 110.109 -179.673 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 1.7 t . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.405 1.066 . . . . 0.0 109.335 179.992 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 9.3 m . . . . . 0 N--CA 1.452 -0.346 0 N-CA-C 109.991 -0.374 . . . . 0.0 109.991 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -125.97 101.19 29.49 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 110.815 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 26.4 Cg_endo -74.44 -5.3 16.72 Favored 'Trans proline' 0 C--N 1.362 1.283 0 O-C-N 124.237 1.651 . . . . 0.0 112.877 -179.662 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -78.33 6.07 9.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.017 0.823 . . . . 0.0 112.368 -179.387 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.467 ' HB ' ' CG ' ' A' ' 67' ' ' PRO . 26.6 t -93.14 -21.67 6.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 123.902 0.751 . . . . 0.0 110.279 -179.843 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 14.0 t -68.67 113.42 4.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.374 1.046 . . . . 0.0 109.467 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 124.71 -35.21 3.23 Favored Glycine 0 CA--C 1.529 0.915 0 O-C-N 124.402 1.064 . . . . 0.0 111.055 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 15.6 mtmt -74.9 -173.5 1.92 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.398 0.705 . . . . 0.0 109.13 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.556 HG22 HG22 ' A' ' 62' ' ' VAL . 68.7 p -115.65 165.11 13.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.433 1.083 . . . . 0.0 109.932 179.694 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.438 HG23 ' H ' ' A' ' 18' ' ' VAL . 7.6 t -50.3 -50.15 21.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 O-C-N 124.263 0.977 . . . . 0.0 111.161 179.63 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -55.07 -37.75 67.16 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.197 -0.91 . . . . 0.0 113.17 -178.262 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 4.5 mm-40 -62.01 -54.64 38.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.324 1.015 . . . . 0.0 109.736 -179.778 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.69 -3.58 15.87 Favored 'General case' 0 C--N 1.327 -0.399 0 O-C-N 124.802 1.314 . . . . 0.0 113.485 -179.125 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.448 HH21 ' HD2' ' A' ' 36' ' ' PHE . 5.5 tpp85 -80.9 -45.69 16.39 Favored 'General case' 0 C--N 1.32 -0.7 0 O-C-N 124.793 1.308 . . . . 0.0 109.272 179.474 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -75.97 -34.23 59.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 114.516 -1.22 . . . . 0.0 110.135 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 59.4 t80 -55.65 -53.77 52.46 Favored 'General case' 0 C--N 1.327 -0.397 0 O-C-N 124.415 1.072 . . . . 0.0 111.153 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.527 ' CD2' HG21 ' A' ' 34' ' ' VAL . 5.3 m-85 -66.75 -28.22 68.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.621 1.201 . . . . 0.0 111.446 -179.817 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 20.9 m -71.05 -30.83 67.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.21 0.944 . . . . 0.0 110.553 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 15.9 mt -87.57 -45.91 10.02 Favored 'General case' 0 N--CA 1.449 -0.493 0 N-CA-C 114.058 1.133 . . . . 0.0 114.058 -178.292 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -86.02 -49.46 7.8 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 113.402 0.89 . . . . 0.0 113.402 -178.012 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 10.0 m-85 -119.61 75.22 18.36 Favored Pre-proline 0 C--N 1.324 -0.517 0 N-CA-C 115.031 1.493 . . . . 0.0 115.031 -178.429 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -79.36 8.55 3.83 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 123.91 1.479 . . . . 0.0 112.994 179.536 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 6.0 pm0 -118.92 23.16 11.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.198 0.936 . . . . 0.0 110.176 179.691 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 1.2 m-30 -121.56 131.23 54.01 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 114.858 -1.065 . . . . 0.0 109.879 179.723 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 36.4 t0 -88.05 98.08 11.33 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.461 1.101 . . . . 0.0 108.389 178.444 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.527 HG21 ' CD2' ' A' ' 25' ' ' PHE . 2.9 t -85.31 149.27 4.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.564 1.165 . . . . 0.0 110.329 -179.319 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -139.66 104.96 5.04 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 114.889 -1.051 . . . . 0.0 110.508 179.498 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.501 ' CD1' ' HB ' ' A' ' 54' ' ' VAL . 22.7 m-85 -91.23 126.15 36.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 110.873 179.791 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.1 mt -139.2 161.42 57.65 Favored Pre-proline 0 C--N 1.324 -0.54 0 O-C-N 124.364 1.04 . . . . 0.0 108.663 179.717 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.444 ' HB2' ' HG3' ' A' ' 58' ' ' PRO . 41.8 Cg_endo . . . . . 0 C--N 1.356 0.956 0 O-C-N 124.636 1.861 . . . . 0.0 112.039 -178.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 37.9 m-85 . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 112.359 0.503 . . . . 0.0 112.359 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.7 p-10 -91.49 -7.59 50.04 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.328 1.017 . . . . 0.0 111.879 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 6.9 ttp180 -101.71 127.94 48.25 Favored 'General case' 0 C--N 1.322 -0.623 0 O-C-N 123.993 0.808 . . . . 0.0 109.845 -179.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.812 HG22 HG22 ' A' ' 69' ' ' VAL . 92.6 t -115.87 142.3 29.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.343 1.027 . . . . 0.0 110.255 -179.784 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 11.4 mtp180 -122.9 124.12 42.52 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 114.853 -1.067 . . . . 0.0 109.283 179.714 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 1.022 HG13 ' HB3' ' A' ' 67' ' ' PRO . 2.4 t -116.21 153.23 17.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.421 1.076 . . . . 0.0 110.784 -179.261 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.417 ' HB2' ' HB2' ' A' ' 65' ' ' HIS . 1.0 OUTLIER -121.48 136.24 54.97 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 114.815 -1.084 . . . . 0.0 110.312 179.436 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.436 ' C ' ' CD1' ' A' ' 56' ' ' TYR . 3.6 p90 -136.02 168.61 19.04 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.465 1.103 . . . . 0.0 110.445 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -91.8 118.35 68.23 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.208 0.942 . . . . 0.0 111.026 -178.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.444 ' HG3' ' HB2' ' A' ' 38' ' ' PRO . 34.4 Cg_endo -77.71 85.21 1.84 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.297 1.682 . . . . 0.0 110.937 179.225 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -166.84 -57.91 0.03 OUTLIER Glycine 0 CA--C 1.532 1.105 0 O-C-N 124.419 1.074 . . . . 0.0 110.75 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 15.4 t -130.59 6.97 4.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 0.787 . . . . 0.0 112.2 179.683 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 5.7 m120 70.26 72.88 0.22 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 123.844 0.715 . . . . 0.0 109.528 179.816 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.556 HG22 HG22 ' A' ' 17' ' ' THR . 9.9 t -144.19 126.74 11.18 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.321 0 O-C-N 124.629 1.206 . . . . 0.0 110.546 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.436 HG11 HG12 ' A' ' 13' ' ' VAL . 65.7 t -72.96 140.24 18.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.089 -0.96 . . . . 0.0 109.323 179.46 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -148.05 28.35 0.93 Allowed 'General case' 0 C--N 1.327 -0.385 0 O-C-N 124.436 1.085 . . . . 0.0 109.875 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' HIS . . . . . 0.417 ' HB2' ' HB2' ' A' ' 55' ' ' PHE . 84.5 m-70 -149.51 125.79 10.79 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.42 1.075 . . . . 0.0 109.696 -179.815 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 45.6 t -54.68 110.41 2.14 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 109.305 179.77 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 1.022 ' HB3' HG13 ' A' ' 54' ' ' VAL . 22.5 Cg_endo -78.95 118.52 4.1 Favored 'Trans proline' 0 C--N 1.359 1.092 0 O-C-N 124.404 1.739 . . . . 0.0 110.917 179.584 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 5.2 p-80 -128.03 162.73 26.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.103 . . . . 0.0 109.547 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.812 HG22 HG22 ' A' ' 52' ' ' VAL . 20.4 t . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 0.0 109.601 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.8 m . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.913 -0.403 . . . . 0.0 109.913 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -122.49 96.23 46.06 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.139 . . . . 0.0 110.914 -179.825 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_endo -73.15 -7.09 20.05 Favored 'Trans proline' 0 C--N 1.365 1.441 0 O-C-N 124.017 1.536 . . . . 0.0 112.75 -179.182 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -73.5 -22.24 60.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.196 0.935 . . . . 0.0 110.56 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -99.48 29.62 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.333 1.021 . . . . 0.0 109.945 -179.739 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.546 HG21 HG22 ' A' ' 66' ' ' VAL . 15.5 t -101.46 108.72 24.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.436 1.085 . . . . 0.0 109.146 179.72 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 122.72 -21.14 7.61 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.561 1.163 . . . . 0.0 110.907 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 37.2 mttm -76.06 160.95 29.29 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.691 0.877 . . . . 0.0 108.64 -179.702 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.488 HG22 HG22 ' A' ' 62' ' ' VAL . 81.4 p -89.93 166.36 13.53 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.092 0.87 . . . . 0.0 111.037 -179.875 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.642 HG13 ' CE2' ' A' ' 36' ' ' PHE . 2.5 t -47.49 -60.48 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.641 1.213 . . . . 0.0 111.659 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -51.78 -36.98 49.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.112 0.882 . . . . 0.0 111.286 -179.131 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 11.8 mm-40 -64.85 -50.01 68.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.266 0.979 . . . . 0.0 110.537 -179.564 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.2 -3.5 17.22 Favored 'General case' 0 N--CA 1.452 -0.346 0 O-C-N 124.591 1.182 . . . . 0.0 113.0 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.6 tpm_? -83.19 -46.6 12.52 Favored 'General case' 0 C--N 1.321 -0.641 0 O-C-N 124.618 1.198 . . . . 0.0 109.74 179.761 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -68.79 -27.8 66.2 Favored 'General case' 0 N--CA 1.452 -0.356 0 O-C-N 124.649 1.218 . . . . 0.0 110.108 179.791 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 85.3 t80 -73.45 -51.32 17.61 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.557 1.161 . . . . 0.0 111.75 -179.735 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -70.54 -23.23 62.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 111.888 -179.514 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 3.4 m -78.42 -34.85 47.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.441 1.088 . . . . 0.0 112.379 -179.404 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 14.3 mt -83.86 -46.37 12.23 Favored 'General case' 0 N--CA 1.45 -0.435 0 O-C-N 124.102 0.877 . . . . 0.0 113.308 -178.475 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.476 ' HB2' ' CD1' ' A' ' 29' ' ' TYR . 21.7 m80 -85.12 -36.48 21.08 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.196 0.935 . . . . 0.0 112.912 -178.485 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.476 ' CD1' ' HB2' ' A' ' 28' ' ' HIS . 45.1 m-85 -125.12 60.63 29.67 Favored Pre-proline 0 C--N 1.323 -0.572 0 N-CA-C 114.878 1.436 . . . . 0.0 114.878 -178.225 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_endo -70.09 -2.42 10.37 Favored 'Trans proline' 0 C--N 1.359 1.099 0 O-C-N 123.768 1.404 . . . . 0.0 112.892 179.562 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -105.16 17.79 23.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.228 0.955 . . . . 0.0 111.581 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.414 ' CD2' HG23 ' A' ' 52' ' ' VAL 0.257 3.5 m-85 -124.3 128.81 49.69 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.203 -0.908 . . . . 0.0 110.126 179.837 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -87.23 98.46 11.33 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 177.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 3.9 t -83.47 151.43 3.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.516 1.135 . . . . 0.0 110.39 -179.362 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -136.92 127.41 26.75 Favored 'General case' 0 C--N 1.329 -0.312 0 O-C-N 124.422 1.076 . . . . 0.0 110.875 179.495 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.642 ' CE2' HG13 ' A' ' 18' ' ' VAL . 8.1 m-85 -100.74 130.91 46.84 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.255 0.972 . . . . 0.0 110.62 179.704 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.412 HD11 ' HE1' ' A' ' 55' ' ' PHE . 0.6 OUTLIER -147.37 153.46 44.23 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.38 1.05 . . . . 0.0 109.3 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo . . . . . 0 C--N 1.359 1.098 0 O-C-N 124.409 1.741 . . . . 0.0 111.241 -179.544 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 68.3 m-85 . . . . . 0 N--CA 1.451 -0.412 0 N-CA-C 112.588 0.588 . . . . 0.0 112.588 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -86.55 -12.76 47.84 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.608 1.192 . . . . 0.0 111.659 179.554 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.805 HH21 HH22 ' A' ' 53' ' ' ARG . 9.2 ttp180 -102.22 128.69 48.63 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 123.912 0.757 . . . . 0.0 109.852 -179.427 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.414 HG23 ' CD2' ' A' ' 32' ' ' TYR . 8.5 t -117.03 144.03 25.8 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.41 0 O-C-N 124.395 1.06 . . . . 0.0 109.239 179.342 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.805 HH22 HH21 ' A' ' 51' ' ' ARG . 0.3 OUTLIER -120.65 134.8 55.25 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 114.607 -1.178 . . . . 0.0 109.765 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.479 ' HB ' ' CD1' ' A' ' 36' ' ' PHE . 14.4 t -125.01 142.1 42.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.694 1.246 . . . . 0.0 109.221 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.412 ' HE1' HD11 ' A' ' 37' ' ' LEU . 22.4 m-30 -116.72 140.89 48.9 Favored 'General case' 0 N--CA 1.451 -0.419 0 O-C-N 124.562 1.164 . . . . 0.0 112.027 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 17.3 p90 -134.1 168.09 19.45 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 114.912 -1.04 . . . . 0.0 110.165 179.426 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.45 ' HA ' ' HD3' ' A' ' 58' ' ' PRO . 15.4 t-20 -84.22 141.16 39.73 Favored Pre-proline 0 C--N 1.325 -0.461 0 CA-C-N 115.402 -0.817 . . . . 0.0 111.957 -178.388 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.45 ' HD3' ' HA ' ' A' ' 57' ' ' ASN . 28.9 Cg_endo -78.43 81.35 2.77 Favored 'Trans proline' 0 C--N 1.366 1.491 0 O-C-N 123.885 1.466 . . . . 0.0 113.841 -179.163 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.41 ' C ' HG22 ' A' ' 60' ' ' THR . . . 127.25 55.82 0.13 Allowed Glycine 0 CA--C 1.529 0.957 0 N-CA-C 116.159 1.224 . . . . 0.0 116.159 178.181 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.41 HG22 ' C ' ' A' ' 59' ' ' GLY . 0.0 OUTLIER 168.05 -35.89 0.0 OUTLIER 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 123.745 0.818 . . . . 0.0 109.542 178.447 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 75.67 75.96 0.1 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 125.519 1.762 . . . . 0.0 109.114 -179.776 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.488 HG22 HG22 ' A' ' 17' ' ' THR . 74.2 t -144.19 134.86 21.03 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.39 0 CA-C-N 114.502 -1.226 . . . . 0.0 109.085 179.644 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 69.3 t -82.31 89.02 2.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 O-C-N 124.435 1.084 . . . . 0.0 109.223 179.785 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 47.0 p30 -97.36 20.92 10.8 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.444 1.09 . . . . 0.0 110.577 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 48.5 m-70 -138.46 123.98 19.56 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.313 1.008 . . . . 0.0 109.467 179.682 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.546 HG22 HG21 ' A' ' 14' ' ' VAL . 20.4 t -60.88 113.55 8.03 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.19 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_endo -78.1 149.85 25.73 Favored 'Trans proline' 0 C--N 1.359 1.091 0 O-C-N 124.52 1.8 . . . . 0.0 110.657 179.565 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 3.4 p-80 -145.51 162.64 36.92 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.367 1.042 . . . . 0.0 110.309 -179.723 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 1.4 t . . . . . 0 C--N 1.326 -0.44 0 CA-C-N 114.915 -1.039 . . . . 0.0 109.421 179.945 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.532 0.284 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -136.15 75.09 54.3 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.65 1.218 . . . . 0.0 111.049 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.474 ' HA ' HG13 ' A' ' 66' ' ' VAL . 19.4 Cg_endo -70.78 -15.48 33.27 Favored 'Trans proline' 0 C--N 1.368 1.574 0 O-C-N 123.509 1.268 . . . . 0.0 113.146 -179.162 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 19.7 tp10 -75.1 -17.38 60.45 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.032 0.832 . . . . 0.0 111.683 -179.637 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.552 HG13 ' HE2' ' A' ' 16' ' ' LYS . 1.3 t -91.23 48.82 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.245 0.966 . . . . 0.0 109.737 -179.579 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 1.6 t -120.26 130.5 74.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.352 1.032 . . . . 0.0 109.289 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 102.29 -20.8 43.64 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.531 1.145 . . . . 0.0 111.198 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.552 ' HE2' HG13 ' A' ' 13' ' ' VAL . 4.0 mtmt -75.24 -159.2 0.09 Allowed 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.658 -0.867 . . . . 0.0 108.658 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.683 HG22 HG22 ' A' ' 62' ' ' VAL . 31.0 p -129.81 168.45 16.55 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.392 1.058 . . . . 0.0 109.878 179.423 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.729 HG13 ' CE2' ' A' ' 36' ' ' PHE . 26.3 t -48.0 -49.31 11.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.431 1.082 . . . . 0.0 112.154 -179.468 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -54.05 -41.09 67.73 Favored 'General case' 0 C--O 1.239 0.533 0 N-CA-C 113.217 0.821 . . . . 0.0 113.217 -178.465 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 19.0 mm-40 -64.28 -50.52 67.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.17 0.919 . . . . 0.0 110.213 -179.401 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.11 -6.29 16.93 Favored 'General case' 0 N--CA 1.452 -0.335 0 O-C-N 124.662 1.226 . . . . 0.0 113.284 -179.59 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.662 ' HG3' HH11 ' A' ' 22' ' ' ARG . 3.2 tpm_? -81.28 -47.42 13.37 Favored 'General case' 0 C--N 1.321 -0.663 0 O-C-N 124.904 1.377 . . . . 0.0 109.335 179.368 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -75.68 -23.13 56.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 114.48 -1.236 . . . . 0.0 110.346 179.676 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 41.0 t80 -68.55 -49.35 60.19 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.344 1.027 . . . . 0.0 111.808 -179.65 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -70.29 -25.22 63.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 111.097 -179.762 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 31.2 m -69.91 -30.26 67.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.35 1.031 . . . . 0.0 110.378 179.833 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 18.3 mt -85.21 -46.46 11.04 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 114.226 1.195 . . . . 0.0 114.226 -178.222 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 22.5 m-70 -85.94 -52.62 5.61 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.067 0.854 . . . . 0.0 113.108 -178.116 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 49.2 m-85 -119.31 76.1 16.84 Favored Pre-proline 0 C--N 1.323 -0.546 0 N-CA-C 114.022 1.119 . . . . 0.0 114.022 -178.416 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_endo -82.63 12.39 2.91 Favored 'Trans proline' 0 C--N 1.358 1.055 0 O-C-N 123.925 1.487 . . . . 0.0 112.595 179.714 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -123.86 23.48 8.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.316 1.01 . . . . 0.0 110.157 179.781 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 1.2 m-30 -121.87 133.73 54.87 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 114.957 -1.019 . . . . 0.0 110.068 179.831 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -86.9 94.85 9.7 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 177.912 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.437 HG22 ' HB ' ' A' ' 52' ' ' VAL . 2.9 t -84.77 149.49 4.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.537 1.148 . . . . 0.0 111.003 -179.114 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.45 ' HE2' HH11 ' A' ' 51' ' ' ARG . 19.7 m-85 -133.14 162.16 32.48 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 114.864 -1.062 . . . . 0.0 110.47 179.388 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.729 ' CE2' HG13 ' A' ' 18' ' ' VAL . 28.4 m-85 -137.8 117.25 12.86 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.706 1.253 . . . . 0.0 111.088 -179.89 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.7 mt -133.6 160.52 68.29 Favored Pre-proline 0 C--N 1.323 -0.544 0 O-C-N 124.196 0.935 . . . . 0.0 108.88 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.428 ' HB3' ' HG3' ' A' ' 58' ' ' PRO . 19.2 Cg_endo . . . . . 0 C--N 1.36 1.138 0 O-C-N 124.475 1.776 . . . . 0.0 111.46 -179.406 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 . . . . . 0 CA--C 1.539 0.523 0 N-CA-C 114.559 1.318 . . . . 0.0 114.559 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.9 p-10 -88.71 -12.98 40.76 Favored 'General case' 0 C--N 1.323 -0.575 0 O-C-N 124.783 1.302 . . . . 0.0 112.1 -179.415 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.45 HH11 ' HE2' ' A' ' 35' ' ' TYR . 8.7 ttm180 -97.87 114.4 26.45 Favored 'General case' 0 C--N 1.323 -0.584 0 O-C-N 124.117 0.885 . . . . 0.0 109.751 -179.868 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.855 HG22 HG22 ' A' ' 69' ' ' VAL . 48.7 t -107.11 112.33 39.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.376 1.048 . . . . 0.0 110.345 -179.79 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 13.3 mtp180 -88.71 119.12 28.89 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.057 -0.974 . . . . 0.0 110.527 179.589 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 11.3 t -104.53 157.1 5.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.222 0.951 . . . . 0.0 110.126 -179.337 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.428 ' HB2' ' HB2' ' A' ' 65' ' ' HIS . 10.6 m-85 -126.77 134.1 50.68 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 114.886 -1.052 . . . . 0.0 110.826 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 20.1 p90 -137.58 166.01 24.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.319 1.012 . . . . 0.0 110.365 179.713 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -92.68 123.62 61.21 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.511 -179.517 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.428 ' HG3' ' HB3' ' A' ' 38' ' ' PRO . 32.9 Cg_endo -81.3 10.37 3.46 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.345 1.708 . . . . 0.0 112.475 -179.582 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -89.22 -64.36 1.29 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.234 0.959 . . . . 0.0 110.925 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 14.9 t -112.09 5.57 18.7 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.496 0.762 . . . . 0.0 112.399 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 16.6 m-80 64.91 66.74 0.56 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 123.934 0.771 . . . . 0.0 109.478 179.693 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.683 HG22 HG22 ' A' ' 17' ' ' THR . 23.0 t -145.34 135.71 18.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 O-C-N 124.497 1.123 . . . . 0.0 110.052 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 95.1 t -73.72 139.19 19.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.428 1.08 . . . . 0.0 109.034 179.141 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -148.02 29.48 0.89 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.446 1.091 . . . . 0.0 110.079 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' HIS . . . . . 0.428 ' HB2' ' HB2' ' A' ' 55' ' ' PHE . 85.6 m-70 -148.51 125.65 11.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.372 1.045 . . . . 0.0 109.793 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.474 HG13 ' HA ' ' A' ' 11' ' ' PRO . 12.9 t -66.09 113.64 13.19 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.584 1.177 . . . . 0.0 109.141 179.774 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -83.6 141.79 10.05 Favored 'Trans proline' 0 C--N 1.359 1.096 0 O-C-N 124.504 1.792 . . . . 0.0 110.571 179.601 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 4.3 p-80 -147.88 163.64 36.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.315 1.009 . . . . 0.0 109.804 -179.766 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.855 HG22 HG22 ' A' ' 52' ' ' VAL . 1.5 t . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.346 1.029 . . . . 0.0 109.825 179.707 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 6.3 t . . . . . 0 CA--C 1.531 0.234 0 N-CA-C 109.573 -0.529 . . . . 0.0 109.573 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -126.79 97.66 32.56 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.598 1.186 . . . . 0.0 111.233 -179.799 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 11.6 Cg_endo -71.58 -10.33 26.53 Favored 'Trans proline' 0 C--N 1.364 1.363 0 O-C-N 124.282 1.675 . . . . 0.0 112.851 -179.394 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.8 -7.2 51.27 Favored 'General case' 0 N--CA 1.449 -0.486 0 O-C-N 124.349 1.031 . . . . 0.0 111.52 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 3.9 t -103.8 30.82 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.095 0.872 . . . . 0.0 109.738 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.1 t -102.38 111.66 32.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 O-C-N 124.413 1.071 . . . . 0.0 109.272 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 121.05 -25.17 7.18 Favored Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.455 1.097 . . . . 0.0 111.472 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 56.4 mttt -77.54 162.05 27.42 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.482 0.754 . . . . 0.0 109.133 -179.294 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.715 HG22 HG22 ' A' ' 62' ' ' VAL . 80.9 p -96.65 171.99 8.19 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.065 0.853 . . . . 0.0 110.298 179.862 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.618 HG13 ' CD1' ' A' ' 36' ' ' PHE . 20.1 t -49.41 -59.07 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 111.667 -179.844 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -49.29 -36.95 22.26 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.245 0.966 . . . . 0.0 111.459 -178.842 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 6.2 mm-40 -64.63 -51.51 62.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.345 1.028 . . . . 0.0 109.857 179.73 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.56 -2.08 15.7 Favored 'General case' 0 N--CA 1.453 -0.315 0 O-C-N 124.817 1.323 . . . . 0.0 112.945 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.404 ' HA ' ' HD3' ' A' ' 22' ' ' ARG . 0.0 OUTLIER -82.26 -46.2 13.99 Favored 'General case' 0 C--N 1.321 -0.634 0 O-C-N 124.566 1.167 . . . . 0.0 109.389 179.771 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -73.72 -29.32 62.19 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 114.671 -1.15 . . . . 0.0 110.661 179.828 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -74.05 -48.22 31.42 Favored 'General case' 0 N--CA 1.451 -0.411 0 O-C-N 124.259 0.974 . . . . 0.0 112.126 -179.422 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.669 ' CG ' HG21 ' A' ' 34' ' ' VAL . 1.7 m-85 -64.65 -25.03 67.78 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.523 1.139 . . . . 0.0 111.366 -179.799 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 29.7 m -77.68 -32.68 53.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.363 1.04 . . . . 0.0 112.363 -179.555 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 21.0 mt -84.57 -47.95 10.04 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 113.649 0.981 . . . . 0.0 113.649 -178.249 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 52.0 m80 -86.0 -35.41 20.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.077 0.861 . . . . 0.0 112.795 -178.456 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 38.7 m-85 -121.99 55.87 6.53 Favored Pre-proline 0 C--N 1.324 -0.514 0 N-CA-C 113.545 0.943 . . . . 0.0 113.545 -178.564 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_endo -65.24 -27.02 56.35 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 123.977 1.514 . . . . 0.0 114.932 -178.579 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -94.56 19.36 9.9 Favored 'General case' 0 N--CA 1.449 -0.481 0 O-C-N 123.977 0.798 . . . . 0.0 112.223 -179.421 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . 0.258 0.6 OUTLIER -123.67 127.12 47.75 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 114.956 -1.02 . . . . 0.0 109.333 178.998 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -85.89 100.33 12.01 Favored 'General case' 0 C--N 1.322 -0.596 0 O-C-N 124.44 1.088 . . . . 0.0 108.665 178.69 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.669 HG21 ' CG ' ' A' ' 25' ' ' PHE . 2.1 t -86.18 144.04 10.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.384 1.053 . . . . 0.0 109.915 -179.567 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.521 ' CE2' ' HD3' ' A' ' 51' ' ' ARG . 2.6 m-30 -115.22 165.43 12.94 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.473 1.108 . . . . 0.0 110.528 179.219 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.618 ' CD1' HG13 ' A' ' 18' ' ' VAL . 16.4 m-85 -148.73 111.53 4.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.676 1.235 . . . . 0.0 110.837 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.845 HD12 HH22 ' A' ' 53' ' ' ARG . 0.4 OUTLIER -144.03 174.93 3.12 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.338 1.024 . . . . 0.0 109.0 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.467 ' CD ' ' HB3' ' A' ' 37' ' ' LEU . 4.2 Cg_endo . . . . . 0 C--N 1.36 1.169 0 O-C-N 124.573 1.828 . . . . 0.0 110.737 179.572 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 52.8 m-85 . . . . . 0 N--CA 1.453 -0.321 0 CA-C-O 120.606 0.241 . . . . 0.0 111.124 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 29.1 p-10 -87.53 -5.52 58.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.355 1.034 . . . . 0.0 111.475 177.808 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.521 ' HD3' ' CE2' ' A' ' 35' ' ' TYR . 7.0 ttm180 -117.41 117.81 30.49 Favored 'General case' 0 C--N 1.322 -0.593 0 O-C-N 123.84 0.712 . . . . 0.0 109.264 -179.084 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.628 HG22 HG13 ' A' ' 69' ' ' VAL . 1.4 t -103.09 118.23 49.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.393 1.058 . . . . 0.0 109.98 -179.548 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.845 HH22 HD12 ' A' ' 37' ' ' LEU . 14.0 mtp85 -87.5 135.55 33.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.269 0.981 . . . . 0.0 111.149 179.459 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.487 HG13 ' HB3' ' A' ' 67' ' ' PRO . 16.8 t -125.72 156.71 35.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.202 0.939 . . . . 0.0 109.639 -179.672 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -129.97 143.78 50.98 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.444 1.09 . . . . 0.0 111.487 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 11.5 p90 -144.38 168.09 20.91 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 114.85 -1.068 . . . . 0.0 110.364 179.585 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.424 ' HA ' ' HD3' ' A' ' 58' ' ' PRO . 2.5 t-20 -84.97 136.78 38.18 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.405 1.066 . . . . 0.0 109.553 -179.658 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 57' ' ' ASN . 38.9 Cg_endo -83.29 13.23 2.72 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.254 1.66 . . . . 0.0 112.479 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -120.65 -65.02 0.26 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.468 1.105 . . . . 0.0 111.949 -179.641 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 9.9 t -88.97 -9.61 50.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.415 0.715 . . . . 0.0 112.549 -179.37 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 11.8 m120 58.74 63.34 1.69 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.26 0.975 . . . . 0.0 108.951 -179.608 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.715 HG22 HG22 ' A' ' 17' ' ' THR . 88.4 t -140.22 152.01 21.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 O-C-N 124.642 1.214 . . . . 0.0 110.058 -179.583 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 31.7 t -84.14 113.43 22.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.314 1.009 . . . . 0.0 109.207 179.82 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 2.0 p30 -105.31 -42.61 5.21 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.598 1.186 . . . . 0.0 110.113 -179.814 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 16.4 m-70 -85.77 134.78 33.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.372 1.045 . . . . 0.0 110.055 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 45.5 t -65.87 115.81 26.37 Favored Pre-proline 0 C--N 1.327 -0.396 0 O-C-N 124.396 1.06 . . . . 0.0 109.46 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.487 ' HB3' HG13 ' A' ' 54' ' ' VAL . 20.4 Cg_endo -74.97 142.39 27.89 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.556 1.819 . . . . 0.0 110.836 179.509 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 1.2 p80 -149.4 163.26 38.24 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.416 1.072 . . . . 0.0 109.779 -179.719 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.628 HG13 HG22 ' A' ' 52' ' ' VAL . 0.8 OUTLIER . . . . . 0 C--N 1.326 -0.439 0 O-C-N 124.47 1.106 . . . . 0.0 109.359 179.859 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 87.5 p . . . . . 0 N--CA 1.455 -0.199 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -126.72 97.11 33.8 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 111.028 -179.711 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_endo -75.34 -4.07 14.8 Favored 'Trans proline' 0 C--N 1.365 1.435 0 O-C-N 124.102 1.58 . . . . 0.0 112.985 -179.789 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -76.3 -14.94 60.09 Favored 'General case' 0 N--CA 1.448 -0.55 0 O-C-N 124.232 0.957 . . . . 0.0 112.258 -179.646 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 4.1 t -93.75 32.97 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 123.971 0.794 . . . . 0.0 109.996 -179.802 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 3.0 t -103.55 102.62 13.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.327 1.017 . . . . 0.0 109.027 179.735 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 127.65 -21.53 5.63 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.437 1.086 . . . . 0.0 111.561 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 16.3 mttm -75.37 162.16 28.63 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 -179.74 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.713 HG22 HG22 ' A' ' 62' ' ' VAL . 46.1 p -95.99 164.85 12.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.05 0.844 . . . . 0.0 110.555 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.51 HG13 ' CD1' ' A' ' 36' ' ' PHE . 12.1 t -49.23 -57.56 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.369 1.043 . . . . 0.0 111.4 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -51.2 -38.52 52.84 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.141 -0.936 . . . . 0.0 111.339 -179.019 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 21.2 mm-40 -63.5 -53.05 58.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 110.128 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.52 0.31 12.87 Favored 'General case' 0 C--N 1.327 -0.373 0 O-C-N 124.693 1.246 . . . . 0.0 112.988 -179.694 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.409 ' HA ' ' HD3' ' A' ' 22' ' ' ARG . 17.2 tpp85 -84.54 -46.46 11.57 Favored 'General case' 0 C--N 1.323 -0.576 0 O-C-N 124.418 1.074 . . . . 0.0 109.98 -179.621 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -75.15 -29.6 60.51 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 114.774 -1.103 . . . . 0.0 110.493 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 41.2 t80 -66.13 -48.24 71.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 111.006 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.572 ' CD2' HG21 ' A' ' 34' ' ' VAL . 3.7 m-85 -71.47 -24.38 61.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.145 . . . . 0.0 111.846 -179.775 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 13.8 m -76.81 -33.51 57.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.267 0.979 . . . . 0.0 112.022 -179.444 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 10.3 mt -86.68 -47.31 9.26 Favored 'General case' 0 N--CA 1.45 -0.461 0 N-CA-C 113.792 1.034 . . . . 0.0 113.792 -178.278 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.503 ' HB2' ' CD1' ' A' ' 29' ' ' TYR . 81.1 m-70 -86.47 -31.97 21.06 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.097 0.873 . . . . 0.0 113.292 -177.942 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.503 ' CD1' ' HB2' ' A' ' 28' ' ' HIS . 16.2 m-85 -124.61 63.38 36.6 Favored Pre-proline 0 C--O 1.24 0.578 0 N-CA-C 114.716 1.376 . . . . 0.0 114.716 -178.215 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_endo -72.22 -0.03 8.02 Favored 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 123.534 1.281 . . . . 0.0 113.129 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 7.8 pm0 -116.51 22.64 12.62 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.194 0.934 . . . . 0.0 110.461 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.402 ' CD2' ' HB3' ' A' ' 29' ' ' TYR 0.271 3.2 m-85 -128.31 123.08 33.11 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 114.885 -1.052 . . . . 0.0 110.125 -179.34 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -90.73 105.3 17.73 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.391 1.057 . . . . 0.0 108.797 179.004 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.572 HG21 ' CD2' ' A' ' 25' ' ' PHE . 2.4 t -86.93 150.05 3.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 O-C-N 124.418 1.073 . . . . 0.0 109.484 -179.498 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.495 ' CE2' ' HD2' ' A' ' 51' ' ' ARG . 1.0 OUTLIER -126.0 103.25 7.64 Favored 'General case' 0 C--N 1.328 -0.354 0 O-C-N 124.299 1.0 . . . . 0.0 110.833 179.51 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.51 ' CD1' HG13 ' A' ' 18' ' ' VAL . 18.7 m-85 -92.11 120.69 32.95 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.387 1.054 . . . . 0.0 110.733 179.662 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.438 ' HB3' ' HD2' ' A' ' 38' ' ' PRO . 54.7 mt -147.2 161.31 36.95 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.25 0.969 . . . . 0.0 109.491 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.438 ' HD2' ' HB3' ' A' ' 37' ' ' LEU . 21.7 Cg_endo . . . . . 0 C--N 1.361 1.187 0 O-C-N 124.465 1.771 . . . . 0.0 110.956 179.575 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 76.0 m-85 . . . . . 0 CA--C 1.534 0.331 0 N-CA-C 111.682 0.253 . . . . 0.0 111.682 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 32.6 p-10 -95.65 -6.73 39.39 Favored 'General case' 0 C--N 1.323 -0.573 0 O-C-N 124.635 1.21 . . . . 0.0 112.485 -178.892 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.495 ' HD2' ' CE2' ' A' ' 35' ' ' TYR . 1.6 ttp180 -100.37 121.08 40.93 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.049 0.843 . . . . 0.0 110.129 -178.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 1.246 HG22 ' CG2' ' A' ' 69' ' ' VAL . 62.0 t -109.11 120.81 61.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 O-C-N 124.308 1.005 . . . . 0.0 110.558 -179.732 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 4.0 mtm180 -89.32 114.83 26.27 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 114.946 -1.025 . . . . 0.0 110.48 179.681 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.482 HG11 ' CE1' ' A' ' 36' ' ' PHE . 50.0 t -110.67 153.24 12.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.274 0.984 . . . . 0.0 110.048 -179.684 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.449 ' HB2' ' CB ' ' A' ' 65' ' ' HIS . 4.2 m-85 -132.65 133.59 43.78 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 114.901 -1.045 . . . . 0.0 110.761 179.836 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.419 ' CD1' ' C ' ' A' ' 56' ' ' TYR . 3.6 p90 -137.08 167.28 21.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 110.805 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.405 ' ND2' ' HD2' ' A' ' 58' ' ' PRO . 17.4 t-20 -109.29 131.05 22.07 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.397 1.06 . . . . 0.0 109.565 -179.695 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.405 ' HD2' ' ND2' ' A' ' 57' ' ' ASN . 26.9 Cg_endo -79.06 -18.5 11.31 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.406 1.74 . . . . 0.0 111.748 179.606 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -50.19 -55.45 15.71 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.39 1.056 . . . . 0.0 111.57 -179.796 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 14.7 t -128.24 11.86 6.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.435 0.727 . . . . 0.0 112.063 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.6 m120 58.1 60.02 2.86 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 123.956 0.785 . . . . 0.0 109.916 179.567 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.713 HG22 HG22 ' A' ' 17' ' ' THR . 53.7 t -142.54 147.73 20.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 O-C-N 124.428 1.08 . . . . 0.0 109.707 179.815 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 30.6 t -81.38 137.31 21.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.387 1.054 . . . . 0.0 110.037 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 30.1 p30 -143.91 26.91 1.51 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.453 1.095 . . . . 0.0 109.293 179.811 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' HIS . . . . . 0.449 ' CB ' ' HB2' ' A' ' 55' ' ' PHE . 8.7 m80 -141.54 128.9 21.17 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 114.886 -1.052 . . . . 0.0 109.114 179.688 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 83.9 t -58.92 111.44 3.69 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.759 1.287 . . . . 0.0 109.187 179.816 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.406 ' HB3' HG13 ' A' ' 54' ' ' VAL . 46.7 Cg_endo -82.02 95.42 0.9 Allowed 'Trans proline' 0 C--N 1.359 1.081 0 O-C-N 124.518 1.799 . . . . 0.0 111.388 -179.432 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -116.27 162.83 16.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.326 1.016 . . . . 0.0 109.492 179.849 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 1.246 ' CG2' HG22 ' A' ' 52' ' ' VAL . 65.3 t . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.554 1.159 . . . . 0.0 109.239 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 20.5 p . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -124.83 94.46 44.18 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.579 1.175 . . . . 0.0 111.013 -179.849 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.531 ' HA ' HG13 ' A' ' 66' ' ' VAL . 30.9 Cg_endo -77.48 -1.92 12.1 Favored 'Trans proline' 0 C--N 1.366 1.465 0 O-C-N 123.917 1.483 . . . . 0.0 113.114 -179.642 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -74.63 -21.42 59.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.267 0.98 . . . . 0.0 110.199 -179.486 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.618 HG13 ' HD2' ' A' ' 16' ' ' LYS . 3.4 t -90.73 44.92 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.457 1.098 . . . . 0.0 109.703 -179.738 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.1 t -111.37 111.04 34.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.138 179.773 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 118.99 -19.44 10.18 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.452 1.095 . . . . 0.0 111.483 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.618 ' HD2' HG13 ' A' ' 13' ' ' VAL . 10.5 mttt -73.11 -164.32 0.17 Allowed 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.699 HG22 HG22 ' A' ' 62' ' ' VAL . 72.9 p -127.59 168.21 15.3 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.503 1.127 . . . . 0.0 110.079 179.764 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 17.0 t -50.26 -59.77 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.454 1.097 . . . . 0.0 111.237 -179.756 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -51.59 -34.78 38.63 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.15 -0.932 . . . . 0.0 110.828 -179.107 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.95 -52.8 58.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.452 1.095 . . . . 0.0 109.72 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.62 -0.76 13.82 Favored 'General case' 0 C--N 1.328 -0.368 0 O-C-N 124.64 1.213 . . . . 0.0 113.061 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -83.4 -45.89 13.16 Favored 'General case' 0 C--N 1.322 -0.607 0 O-C-N 124.507 1.129 . . . . 0.0 109.785 -179.838 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -75.4 -25.18 57.4 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 114.76 -1.109 . . . . 0.0 110.596 -179.804 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 14.2 t80 -67.98 -53.86 22.89 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.402 1.064 . . . . 0.0 111.475 -179.801 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -67.81 -22.51 65.16 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.548 1.155 . . . . 0.0 112.046 -179.554 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 16.6 m -75.98 -32.86 59.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.34 1.025 . . . . 0.0 111.748 -179.649 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 16.2 mt -87.09 -45.64 10.53 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 113.734 1.013 . . . . 0.0 113.734 -178.304 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -84.45 -41.2 16.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.137 0.898 . . . . 0.0 113.005 -178.396 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 40.2 m-85 -124.41 66.04 43.27 Favored Pre-proline 0 C--O 1.241 0.646 0 N-CA-C 114.785 1.402 . . . . 0.0 114.785 -178.211 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -74.45 2.75 5.97 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 123.485 1.255 . . . . 0.0 113.338 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -112.79 21.27 15.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.302 1.001 . . . . 0.0 110.602 179.622 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.433 ' CD1' HG23 ' A' ' 52' ' ' VAL 0.26 3.4 m-85 -125.53 131.22 52.82 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 114.99 -1.005 . . . . 0.0 110.159 -179.779 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -89.09 97.63 11.31 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.353 1.033 . . . . 0.0 108.318 178.366 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 4.0 t -84.84 149.74 4.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.609 1.193 . . . . 0.0 110.93 -179.157 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 31.4 m-85 -142.09 123.47 14.84 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 114.758 -1.11 . . . . 0.0 110.451 179.586 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.505 ' O ' HD23 ' A' ' 37' ' ' LEU . 49.9 m-85 -99.88 130.92 46.11 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.331 1.019 . . . . 0.0 111.439 -179.521 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.681 HD11 ' NE ' ' A' ' 53' ' ' ARG . 0.7 OUTLIER -129.55 178.32 1.75 Allowed Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.196 0.935 . . . . 0.0 108.562 179.093 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.496 ' CD ' ' CB ' ' A' ' 37' ' ' LEU . 4.3 Cg_endo . . . . . 0 C--N 1.36 1.143 0 O-C-N 124.455 1.766 . . . . 0.0 110.883 179.64 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 . . . . . 0 CA--C 1.536 0.414 0 N-CA-C 112.443 0.535 . . . . 0.0 112.443 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 -95.01 -7.2 40.4 Favored 'General case' 0 C--N 1.323 -0.582 0 O-C-N 124.828 1.33 . . . . 0.0 112.449 -178.887 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 1.2 ttm180 -102.32 131.58 48.84 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.093 0.871 . . . . 0.0 112.021 -178.468 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 1.213 ' CG2' HG22 ' A' ' 69' ' ' VAL . 55.6 t -117.28 146.45 21.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.37 1.044 . . . . 0.0 108.828 179.029 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.681 ' NE ' HD11 ' A' ' 37' ' ' LEU . 0.0 OUTLIER -121.05 138.41 54.19 Favored 'General case' 0 C--N 1.323 -0.568 0 O-C-N 124.624 1.202 . . . . 0.0 110.113 -179.606 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 1.061 HG13 ' HB3' ' A' ' 67' ' ' PRO . 8.0 t -130.97 157.49 43.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.591 1.182 . . . . 0.0 109.802 -179.688 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.433 ' HB2' ' HB2' ' A' ' 65' ' ' HIS . 29.1 m-85 -127.11 140.23 52.41 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.421 1.076 . . . . 0.0 110.821 179.855 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.441 ' CD1' ' C ' ' A' ' 56' ' ' TYR . 6.4 p90 -145.52 165.52 28.37 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.646 1.216 . . . . 0.0 110.64 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -92.95 124.46 58.31 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.498 1.124 . . . . 0.0 109.481 -179.522 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 21.8 Cg_endo -77.65 6.01 4.8 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.326 1.698 . . . . 0.0 112.775 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -87.87 -73.67 1.28 Allowed Glycine 0 CA--C 1.529 0.966 0 N-CA-C 110.761 -0.936 . . . . 0.0 110.761 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.417 HG23 HG23 ' A' ' 62' ' ' VAL . 14.7 t -96.1 2.49 53.26 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.495 0.762 . . . . 0.0 112.38 179.593 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.9 m120 61.86 63.28 1.14 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 123.923 0.765 . . . . 0.0 109.776 179.682 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.699 HG22 HG22 ' A' ' 17' ' ' THR . 53.8 t -142.41 141.61 27.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 O-C-N 124.46 1.1 . . . . 0.0 109.999 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 67.9 t -80.99 139.77 17.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 115.014 -0.994 . . . . 0.0 109.252 179.774 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 27.0 p30 -142.11 24.28 1.99 Allowed 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.508 1.13 . . . . 0.0 110.151 -179.821 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' HIS . . . . . 0.433 ' HB2' ' HB2' ' A' ' 55' ' ' PHE . 78.9 m-70 -148.15 135.19 20.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.406 1.066 . . . . 0.0 109.676 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.531 HG13 ' HA ' ' A' ' 11' ' ' PRO . 13.4 t -66.48 114.88 19.24 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.605 1.191 . . . . 0.0 109.053 179.722 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 1.061 ' HB3' HG13 ' A' ' 54' ' ' VAL . 28.7 Cg_endo -76.34 113.35 3.66 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.502 1.791 . . . . 0.0 111.059 -179.536 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 2.1 p80 -109.99 163.17 13.82 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.435 1.084 . . . . 0.0 109.732 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 1.213 HG22 ' CG2' ' A' ' 52' ' ' VAL . 43.3 t . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.594 1.184 . . . . 0.0 109.005 179.497 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 63.8 m . . . . . 0 N--CA 1.453 -0.322 0 CA-C-O 120.615 0.245 . . . . 0.0 110.387 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -139.77 99.24 7.64 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.431 1.082 . . . . 0.0 110.754 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 29.3 Cg_endo -75.88 1.95 7.58 Favored 'Trans proline' 0 C--N 1.364 1.37 0 O-C-N 124.159 1.61 . . . . 0.0 112.839 -179.496 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -75.5 -24.13 56.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.206 0.941 . . . . 0.0 110.933 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -100.12 37.24 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.323 1.014 . . . . 0.0 109.284 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 4.0 t -102.71 101.83 12.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.456 1.097 . . . . 0.0 109.376 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 126.0 -20.35 6.36 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.532 1.145 . . . . 0.0 111.507 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.0 mttm -76.52 161.07 28.92 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 -179.486 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -93.36 166.62 12.2 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.061 0.851 . . . . 0.0 109.852 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.659 HG13 ' CZ ' ' A' ' 36' ' ' PHE . 22.8 t -45.2 -62.84 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.497 0 O-C-N 124.094 0.871 . . . . 0.0 112.444 -179.657 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -50.54 -37.27 38.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 123.967 0.792 . . . . 0.0 111.62 -179.016 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 9.0 mm100 -64.96 -49.68 69.37 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.329 1.018 . . . . 0.0 110.467 -179.698 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.26 -3.46 17.22 Favored 'General case' 0 C--N 1.328 -0.33 0 O-C-N 124.584 1.178 . . . . 0.0 112.98 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.486 HH21 ' HE2' ' A' ' 36' ' ' PHE . 0.6 OUTLIER -83.53 -46.69 12.14 Favored 'General case' 0 C--N 1.322 -0.627 0 O-C-N 124.652 1.22 . . . . 0.0 109.603 179.801 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -69.03 -25.85 64.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 114.728 -1.124 . . . . 0.0 110.247 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 75.2 t80 -74.23 -48.75 26.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.405 1.066 . . . . 0.0 111.387 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.558 ' CD2' HG21 ' A' ' 34' ' ' VAL . 3.6 m-85 -73.56 -22.16 60.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 111.877 -179.458 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 3.0 m -75.47 -33.51 60.84 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.324 1.015 . . . . 0.0 111.536 -179.706 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 17.5 mt -85.45 -45.39 11.88 Favored 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 114.234 1.198 . . . . 0.0 114.234 -178.159 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 12.0 m-70 -84.91 -39.77 17.8 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.113 0.883 . . . . 0.0 113.364 -178.121 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.422 ' HB3' ' HB2' ' A' ' 32' ' ' TYR . 33.1 m-85 -119.38 75.51 16.89 Favored Pre-proline 0 C--N 1.323 -0.583 0 N-CA-C 114.524 1.305 . . . . 0.0 114.524 -178.732 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 10.7 Cg_endo -76.23 5.41 4.61 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 123.689 1.362 . . . . 0.0 113.388 179.773 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -121.68 17.3 11.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.408 1.068 . . . . 0.0 111.384 179.792 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.422 ' HB2' ' HB3' ' A' ' 29' ' ' TYR 0.255 1.1 m-30 -123.39 118.39 27.37 Favored 'General case' 0 C--N 1.321 -0.649 0 O-C-N 124.174 0.921 . . . . 0.0 109.742 179.544 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -89.91 108.39 19.68 Favored 'General case' 0 C--N 1.323 -0.571 0 O-C-N 124.436 1.085 . . . . 0.0 108.273 178.658 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.558 HG21 ' CD2' ' A' ' 25' ' ' PHE . 2.7 t -85.86 148.14 4.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 0.0 110.728 -179.232 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 32.0 m-85 -129.65 123.63 31.68 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 114.682 -1.144 . . . . 0.0 109.95 179.228 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.659 ' CZ ' HG13 ' A' ' 18' ' ' VAL . 55.1 m-85 -92.01 127.31 37.43 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.54 1.15 . . . . 0.0 111.533 -179.474 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.436 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 1.3 mp -134.19 152.2 77.83 Favored Pre-proline 0 C--N 1.324 -0.535 0 O-C-N 124.212 0.945 . . . . 0.0 108.513 179.548 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 37' ' ' LEU . 56.1 Cg_endo . . . . . 0 C--N 1.357 0.976 0 O-C-N 124.648 1.867 . . . . 0.0 112.116 -179.128 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 68.5 m-85 . . . . . 0 N--CA 1.451 -0.398 0 N-CA-C 113.151 0.797 . . . . 0.0 113.151 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 -91.26 -6.63 52.96 Favored 'General case' 0 C--N 1.323 -0.568 0 O-C-N 124.382 1.051 . . . . 0.0 112.282 -179.739 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 5.6 ttm180 -130.41 121.28 25.63 Favored 'General case' 0 C--N 1.322 -0.615 0 O-C-N 124.202 0.939 . . . . 0.0 111.171 -177.489 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.665 HG22 HG13 ' A' ' 69' ' ' VAL . 54.3 t -113.92 129.64 69.46 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.344 0 O-C-N 124.104 0.878 . . . . 0.0 109.1 179.281 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 45.2 mtt-85 -90.2 147.09 23.78 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 114.9 -1.046 . . . . 0.0 111.877 -179.612 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.413 ' C ' ' CD1' ' A' ' 55' ' ' PHE . 38.9 t -142.12 144.85 24.65 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.367 0 CA-C-N 115.159 -0.928 . . . . 0.0 109.49 179.691 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.433 ' CD1' ' N ' ' A' ' 55' ' ' PHE . 0.8 OUTLIER -124.82 133.65 53.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.33 1.019 . . . . 0.0 111.117 -179.51 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 11.3 p90 -145.12 167.66 22.2 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.36 1.037 . . . . 0.0 110.286 179.731 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.69 ' HB3' HG22 ' A' ' 60' ' ' THR . 2.0 t-20 -85.72 147.94 47.47 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.23 0.956 . . . . 0.0 110.112 -179.353 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_endo -86.21 -32.09 0.26 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.155 1.608 . . . . 0.0 113.114 -179.071 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -99.44 33.23 6.36 Favored Glycine 0 CA--C 1.528 0.86 0 O-C-N 124.133 0.896 . . . . 0.0 113.609 -178.806 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.69 HG22 ' HB3' ' A' ' 57' ' ' ASN . 0.7 OUTLIER -172.41 -41.43 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 O-C-N 124.483 0.755 . . . . 0.0 111.411 179.232 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 78.05 66.49 0.04 OUTLIER 'General case' 0 N--CA 1.45 -0.47 0 O-C-N 124.226 0.954 . . . . 0.0 110.606 -179.794 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.569 HG23 HG23 ' A' ' 60' ' ' THR . 72.7 t -143.23 141.16 26.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 O-C-N 124.384 1.052 . . . . 0.0 108.925 179.047 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 85.0 t -82.95 99.16 5.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 O-C-N 124.568 1.167 . . . . 0.0 109.079 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.437 ' OD1' ' CE1' ' A' ' 65' ' ' HIS . 3.5 p30 -109.92 30.27 6.86 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.531 1.144 . . . . 0.0 109.812 -179.809 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' HIS . . . . . 0.437 ' CE1' ' OD1' ' A' ' 64' ' ' ASN . 64.9 m-70 -146.19 136.04 23.4 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.305 1.003 . . . . 0.0 109.218 179.444 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 79.6 t -63.49 113.98 11.53 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.755 1.284 . . . . 0.0 109.093 179.65 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 30.7 Cg_endo -76.96 144.17 23.8 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.445 1.76 . . . . 0.0 111.043 -179.54 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 1.6 p80 -149.39 163.74 36.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.423 1.077 . . . . 0.0 109.716 -179.637 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.665 HG13 HG22 ' A' ' 52' ' ' VAL . 1.9 t . . . . . 0 C--N 1.324 -0.524 0 O-C-N 124.398 1.061 . . . . 0.0 109.478 179.74 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.467 ' CD1' ' N ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -127.76 102.42 22.51 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.441 1.088 . . . . 0.0 110.681 179.954 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -71.97 -10.12 25.67 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.345 1.708 . . . . 0.0 112.685 -179.062 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -74.89 1.9 11.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.052 0.845 . . . . 0.0 112.534 -179.814 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 16.5 t -103.56 -9.15 9.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 123.951 0.782 . . . . 0.0 111.62 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 5.4 t -72.24 101.76 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 123.895 0.747 . . . . 0.0 109.704 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 134.16 -25.46 3.49 Favored Glycine 0 CA--C 1.527 0.838 0 O-C-N 124.407 1.067 . . . . 0.0 112.795 179.54 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.8 mtmt -78.24 165.75 23.53 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 -179.217 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -99.52 163.67 12.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.44 1.087 . . . . 0.0 109.638 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.707 HG13 ' CD1' ' A' ' 36' ' ' PHE . 21.3 t -45.47 -60.75 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 N-CA-C 113.612 0.967 . . . . 0.0 113.612 -179.156 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -55.47 -33.14 63.39 Favored 'General case' 0 C--O 1.239 0.523 0 N-CA-C 112.689 0.625 . . . . 0.0 112.689 -178.199 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 8.3 mm100 -64.43 -52.12 59.7 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.337 1.023 . . . . 0.0 109.475 179.794 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.23 -1.34 14.81 Favored 'General case' 0 C--N 1.327 -0.37 0 O-C-N 124.634 1.209 . . . . 0.0 112.984 179.776 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.8 tpp85 -83.09 -45.56 13.83 Favored 'General case' 0 C--N 1.32 -0.684 0 O-C-N 124.561 1.163 . . . . 0.0 109.721 -179.788 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -73.82 -28.34 61.57 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 114.727 -1.124 . . . . 0.0 110.826 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 68.5 t80 -70.83 -48.37 54.38 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.433 1.083 . . . . 0.0 112.019 -179.744 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.549 ' CD2' HG21 ' A' ' 34' ' ' VAL . 11.6 m-30 -72.58 -20.27 61.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.319 1.012 . . . . 0.0 112.633 -179.278 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 3.9 m -77.4 -34.72 54.73 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.304 1.002 . . . . 0.0 112.069 -179.339 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 16.1 mt -87.65 -45.74 10.13 Favored 'General case' 0 N--CA 1.449 -0.484 0 O-C-N 124.275 0.984 . . . . 0.0 113.219 -178.41 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 14.4 m-70 -85.48 -36.06 20.81 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.259 0.974 . . . . 0.0 112.996 -178.39 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 10.3 m-85 -120.93 53.7 3.48 Favored Pre-proline 0 C--N 1.324 -0.52 0 N-CA-C 114.194 1.183 . . . . 0.0 114.194 -178.396 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -66.43 -18.72 55.16 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 123.992 1.522 . . . . 0.0 114.256 -179.002 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 8.4 pm0 -90.81 15.1 11.87 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 123.988 0.805 . . . . 0.0 112.403 -179.238 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . 0.263 1.0 OUTLIER -124.97 126.6 45.72 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.272 -0.876 . . . . 0.0 109.293 179.633 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 13.1 t0 -86.3 100.87 12.59 Favored 'General case' 0 C--N 1.322 -0.6 0 O-C-N 124.528 1.143 . . . . 0.0 108.224 178.103 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.549 HG21 ' CD2' ' A' ' 25' ' ' PHE . 3.5 t -83.97 150.07 4.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.605 1.191 . . . . 0.0 110.452 -179.53 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -142.25 126.8 17.87 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 114.818 -1.083 . . . . 0.0 110.479 179.337 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.707 ' CD1' HG13 ' A' ' 18' ' ' VAL . 23.1 m-85 -102.81 133.3 48.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.371 1.044 . . . . 0.0 111.121 -179.757 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.426 ' HB2' ' HD2' ' A' ' 38' ' ' PRO . 0.2 OUTLIER -148.52 164.72 20.43 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.393 1.058 . . . . 0.0 109.329 -179.945 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.426 ' HD2' ' HB2' ' A' ' 37' ' ' LEU . 4.6 Cg_endo . . . . . 0 C--N 1.36 1.156 0 O-C-N 124.302 1.685 . . . . 0.0 110.816 -179.715 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 39.0 m-85 . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 112.043 0.386 . . . . 0.0 112.043 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 34.4 p-10 -87.92 -10.92 49.14 Favored 'General case' 0 C--N 1.323 -0.574 0 O-C-N 124.545 1.153 . . . . 0.0 111.627 179.348 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 3.2 ttp180 -110.27 126.19 53.91 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 123.962 0.789 . . . . 0.0 110.32 -179.721 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.572 HG22 HG13 ' A' ' 69' ' ' VAL . 93.1 t -114.1 105.3 18.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.318 1.011 . . . . 0.0 110.062 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 42.8 mtm-85 -88.61 130.19 35.33 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 114.828 -1.078 . . . . 0.0 110.928 179.719 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.632 HG13 ' HB3' ' A' ' 67' ' ' PRO . 2.6 t -115.04 160.72 14.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.155 0.909 . . . . 0.0 109.537 -179.766 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.457 ' O ' HG13 ' A' ' 63' ' ' VAL . 7.0 m-85 -128.3 134.31 48.89 Favored 'General case' 0 C--N 1.327 -0.39 0 O-C-N 124.449 1.093 . . . . 0.0 111.073 179.814 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 14.7 p90 -135.84 166.66 22.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.339 1.024 . . . . 0.0 110.05 179.492 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -86.62 133.72 39.3 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.332 1.02 . . . . 0.0 110.128 -179.406 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 27.6 Cg_endo -77.82 6.4 4.58 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.311 1.69 . . . . 0.0 112.629 179.472 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -94.85 -65.31 0.99 Allowed Glycine 0 CA--C 1.528 0.897 0 O-C-N 124.156 0.91 . . . . 0.0 112.006 -179.574 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.488 HG23 HG23 ' A' ' 62' ' ' VAL . 11.2 t -110.82 16.49 21.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.412 0.713 . . . . 0.0 111.725 -179.383 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 10.5 m120 53.68 25.68 5.21 Favored 'General case' 0 C--O 1.239 0.501 0 CA-C-N 115.856 -0.611 . . . . 0.0 112.51 178.44 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.488 HG23 HG23 ' A' ' 60' ' ' THR . 82.9 t -100.94 145.67 10.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.141 0.901 . . . . 0.0 110.734 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.457 HG13 ' O ' ' A' ' 55' ' ' PHE . 25.1 t -81.49 132.47 31.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 114.797 -1.092 . . . . 0.0 109.678 179.765 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 35.2 p30 -143.95 26.81 1.51 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.582 1.176 . . . . 0.0 109.273 179.763 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 38.2 m80 -135.9 123.58 22.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.388 1.055 . . . . 0.0 109.322 179.551 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 76.2 t -57.94 111.01 2.95 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.776 1.298 . . . . 0.0 109.206 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.632 ' HB3' HG13 ' A' ' 54' ' ' VAL . 42.6 Cg_endo -81.55 142.51 13.04 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.556 1.819 . . . . 0.0 110.641 -179.625 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 8.9 p80 -143.88 162.2 36.73 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.369 1.043 . . . . 0.0 110.201 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.572 HG13 HG22 ' A' ' 52' ' ' VAL . 9.5 t . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.709 1.256 . . . . 0.0 108.67 179.226 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 96.7 p . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.978 -0.378 . . . . 0.0 109.978 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -123.09 97.47 43.35 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.581 1.176 . . . . 0.0 110.706 179.739 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 11.5 Cg_endo -71.53 -9.98 26.02 Favored 'Trans proline' 0 C--N 1.364 1.361 0 O-C-N 124.344 1.708 . . . . 0.0 112.618 -179.317 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -72.14 -22.5 61.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.214 0.946 . . . . 0.0 110.583 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 3.5 t -91.14 46.06 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.445 1.091 . . . . 0.0 109.638 -179.821 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.1 t -116.05 120.07 63.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.472 1.108 . . . . 0.0 109.045 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 105.71 -23.05 30.66 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.529 1.143 . . . . 0.0 110.634 -179.551 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 22.2 mttm -71.53 162.66 29.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.711 0.889 . . . . 0.0 108.64 179.821 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -100.07 164.09 12.14 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.039 0.837 . . . . 0.0 110.254 -179.394 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.542 HG13 ' CG ' ' A' ' 36' ' ' PHE . 94.4 t -46.89 -59.43 0.67 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.551 0 O-C-N 124.206 0.941 . . . . 0.0 112.013 179.639 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -49.32 -39.35 30.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.241 0.963 . . . . 0.0 111.42 -179.004 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 8.7 mm100 -64.71 -50.76 65.67 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.327 1.017 . . . . 0.0 110.071 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.66 -3.14 16.93 Favored 'General case' 0 N--CA 1.452 -0.326 0 O-C-N 124.74 1.275 . . . . 0.0 113.0 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.26 -46.18 14.02 Favored 'General case' 0 C--N 1.322 -0.624 0 O-C-N 124.704 1.252 . . . . 0.0 109.45 179.664 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -71.53 -26.17 62.54 Favored 'General case' 0 C--N 1.328 -0.354 0 O-C-N 124.55 1.156 . . . . 0.0 109.982 179.752 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 74.6 t80 -74.76 -50.41 17.45 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.349 1.031 . . . . 0.0 111.221 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.544 ' CD2' HG21 ' A' ' 34' ' ' VAL . 3.8 m-85 -68.63 -24.42 64.56 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.408 1.068 . . . . 0.0 111.76 -179.643 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 3.9 m -76.19 -33.65 59.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.242 0.964 . . . . 0.0 111.849 -179.678 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 19.8 mt -85.87 -47.92 9.23 Favored 'General case' 0 N--CA 1.45 -0.443 0 N-CA-C 114.078 1.14 . . . . 0.0 114.078 -178.122 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.522 ' HB2' ' CD1' ' A' ' 29' ' ' TYR . 30.1 m-70 -86.05 -32.53 21.38 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 123.976 0.798 . . . . 0.0 113.005 -178.02 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.522 ' CD1' ' HB2' ' A' ' 28' ' ' HIS . 18.9 m-85 -124.19 62.88 30.9 Favored Pre-proline 0 C--O 1.241 0.634 0 N-CA-C 114.494 1.294 . . . . 0.0 114.494 -178.366 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -72.49 0.38 7.59 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 123.57 1.3 . . . . 0.0 112.982 179.609 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 9.0 pm0 -117.36 22.92 12.14 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.167 0.917 . . . . 0.0 110.417 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.414 ' HB2' ' HB3' ' A' ' 29' ' ' TYR 0.272 3.3 m-85 -128.97 125.86 38.34 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 114.824 -1.08 . . . . 0.0 109.999 -179.309 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -90.95 102.16 14.92 Favored 'General case' 0 C--N 1.323 -0.58 0 O-C-N 124.268 0.98 . . . . 0.0 108.765 179.134 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.63 HG22 ' HB ' ' A' ' 52' ' ' VAL . 2.6 t -86.74 150.82 3.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.52 -179.435 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -137.25 117.82 13.88 Favored 'General case' 0 C--N 1.328 -0.35 0 O-C-N 124.412 1.07 . . . . 0.0 110.937 179.681 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.542 ' CG ' HG13 ' A' ' 18' ' ' VAL . 48.1 m-85 -97.97 123.7 42.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.241 0.963 . . . . 0.0 110.5 179.741 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.582 HD21 ' HD3' ' A' ' 53' ' ' ARG . 0.6 OUTLIER -149.08 164.74 19.88 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.276 0.985 . . . . 0.0 109.525 -179.526 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.444 ' HD2' ' HB2' ' A' ' 37' ' ' LEU . 2.5 Cg_endo . . . . . 0 C--N 1.359 1.114 0 O-C-N 124.41 1.742 . . . . 0.0 110.629 179.456 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 18.4 m-85 . . . . . 0 N--CA 1.451 -0.392 0 N-CA-C 110.832 -0.062 . . . . 0.0 110.832 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -87.53 -12.99 44.21 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.557 1.161 . . . . 0.0 111.87 179.801 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 2.9 ttp180 -107.54 118.54 36.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 123.955 0.784 . . . . 0.0 109.995 -179.71 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.63 ' HB ' HG22 ' A' ' 34' ' ' VAL . 2.0 t -93.64 147.05 5.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 O-C-N 124.314 1.009 . . . . 0.0 110.662 -179.576 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.582 ' HD3' HD21 ' A' ' 37' ' ' LEU . 1.4 mtt-85 -121.24 88.2 2.89 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 114.621 -1.172 . . . . 0.0 109.154 179.269 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.452 HG11 ' CE1' ' A' ' 36' ' ' PHE . 59.3 t -85.5 152.55 3.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 O-C-N 124.704 1.252 . . . . 0.0 109.706 -179.709 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.427 ' HB2' ' HB2' ' A' ' 65' ' ' HIS . 40.4 m-85 -125.55 145.34 50.16 Favored 'General case' 0 N--CA 1.452 -0.373 0 O-C-N 124.472 1.107 . . . . 0.0 111.829 -179.786 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 2.6 p90 -142.12 169.96 16.6 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.532 1.145 . . . . 0.0 110.188 179.573 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.436 ' HA ' ' HD3' ' A' ' 58' ' ' PRO . 19.2 t-20 -84.59 128.58 60.73 Favored Pre-proline 0 C--N 1.324 -0.531 0 CA-C-N 115.465 -0.788 . . . . 0.0 110.438 -179.236 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 57' ' ' ASN . 25.2 Cg_endo -80.73 81.98 2.59 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.521 1.8 . . . . 0.0 110.729 179.349 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -168.78 -57.31 0.03 OUTLIER Glycine 0 CA--C 1.532 1.116 0 O-C-N 124.512 1.132 . . . . 0.0 110.721 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.486 HG23 ' H ' ' A' ' 61' ' ' ASN . 0.1 OUTLIER -119.63 -77.17 0.57 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.613 0.831 . . . . 0.0 110.203 179.611 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.486 ' H ' HG23 ' A' ' 60' ' ' THR . 1.2 p30 161.17 84.98 0.0 OUTLIER 'General case' 0 CA--C 1.541 0.607 0 O-C-N 124.223 0.952 . . . . 0.0 108.662 178.017 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.427 HG12 ' N ' ' A' ' 63' ' ' VAL . 24.0 t -144.77 159.56 14.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 O-C-N 124.525 1.141 . . . . 0.0 108.917 179.426 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.427 ' N ' HG12 ' A' ' 62' ' ' VAL . 90.2 t -109.65 115.88 50.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 O-C-N 124.622 1.201 . . . . 0.0 108.994 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.406 ' ND2' ' HB2' ' A' ' 57' ' ' ASN . 3.6 p30 -120.45 23.28 10.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.772 1.295 . . . . 0.0 110.197 -179.57 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' HIS . . . . . 0.427 ' HB2' ' HB2' ' A' ' 55' ' ' PHE . 45.3 m-70 -144.68 125.3 14.09 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.407 1.067 . . . . 0.0 109.538 179.868 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 12.4 t -61.73 113.12 7.42 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.574 1.172 . . . . 0.0 109.118 179.758 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_endo -78.11 128.23 8.93 Favored 'Trans proline' 0 C--N 1.358 1.07 0 O-C-N 124.567 1.825 . . . . 0.0 110.52 -179.613 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 7.7 p-80 -120.41 163.77 17.39 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.342 1.026 . . . . 0.0 109.87 -179.499 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 1.5 t . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.129 . . . . 0.0 109.565 179.516 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.534 0.348 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -114.76 76.7 4.29 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.597 1.186 . . . . 0.0 113.374 -179.154 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.441 ' HA ' HG13 ' A' ' 66' ' ' VAL . 22.2 Cg_endo -70.82 -16.15 33.09 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.223 1.644 . . . . 0.0 113.064 179.843 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 46.9 tt0 -74.12 -15.02 61.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.111 0.882 . . . . 0.0 111.957 -179.478 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 8.5 t -91.18 48.16 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.316 1.01 . . . . 0.0 109.959 -179.673 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 71.7 t -118.79 133.66 64.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.388 1.055 . . . . 0.0 109.326 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 97.31 -14.76 63.19 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.436 1.085 . . . . 0.0 111.956 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.47 ' C ' HG22 ' A' ' 17' ' ' THR . 36.5 mttt -74.02 -131.71 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.559 0 O-C-N 124.409 0.711 . . . . 0.0 109.269 -179.174 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.47 HG22 ' C ' ' A' ' 16' ' ' LYS . 0.3 OUTLIER -168.34 163.3 12.84 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.468 0.651 . . . . 0.0 111.287 -179.249 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 22.1 t -49.47 -53.0 10.35 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.429 0 CA-C-N 115.061 -0.972 . . . . 0.0 111.99 -179.505 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -57.68 -41.99 82.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 123.964 0.79 . . . . 0.0 111.42 -179.138 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.416 ' HG2' ' HB3' ' A' ' 16' ' ' LYS . 14.2 tp60 -63.17 -53.59 50.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.242 0.964 . . . . 0.0 110.084 -179.785 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.53 -0.67 13.38 Favored 'General case' 0 N--CA 1.452 -0.368 0 O-C-N 124.647 1.217 . . . . 0.0 113.086 -179.648 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.405 ' HD3' ' HA ' ' A' ' 22' ' ' ARG . 0.2 OUTLIER -81.76 -46.86 13.65 Favored 'General case' 0 C--N 1.321 -0.632 0 O-C-N 124.464 1.102 . . . . 0.0 108.996 179.617 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -78.01 -24.72 47.84 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 114.631 -1.168 . . . . 0.0 110.851 -179.753 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 62.3 t80 -75.7 -50.09 16.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.261 0.975 . . . . 0.0 113.118 -179.116 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 19.4 m-85 -73.12 -21.36 60.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.34 1.025 . . . . 0.0 111.878 -179.355 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.8 m -77.15 -34.6 56.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.32 1.013 . . . . 0.0 112.008 -179.663 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 16.3 mt -86.65 -46.32 10.18 Favored 'General case' 0 N--CA 1.451 -0.412 0 O-C-N 124.183 0.927 . . . . 0.0 113.442 -178.351 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 31.6 m-70 -85.43 -36.18 20.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.119 0.887 . . . . 0.0 112.862 -178.426 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 13.0 m-85 -121.19 53.49 3.59 Favored Pre-proline 0 C--N 1.323 -0.549 0 N-CA-C 114.147 1.166 . . . . 0.0 114.147 -178.508 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -67.39 -10.03 27.29 Favored 'Trans proline' 0 C--N 1.359 1.089 0 O-C-N 123.852 1.449 . . . . 0.0 113.075 -179.039 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -97.36 18.09 15.99 Favored 'General case' 0 N--CA 1.451 -0.377 0 O-C-N 124.325 1.016 . . . . 0.0 112.091 -179.225 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . 0.268 3.6 m-85 -129.52 133.16 47.1 Favored 'General case' 0 C--N 1.322 -0.606 0 O-C-N 124.133 0.896 . . . . 0.0 110.555 -178.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 15.4 t0 -92.84 102.79 15.18 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.303 1.002 . . . . 0.0 108.688 179.221 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.488 HG22 ' HB ' ' A' ' 52' ' ' VAL . 2.5 t -86.22 148.53 4.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.449 1.093 . . . . 0.0 110.23 -179.598 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.424 ' CE1' ' HG3' ' A' ' 51' ' ' ARG . 21.7 m-85 -136.37 114.41 11.41 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 114.87 -1.059 . . . . 0.0 110.636 179.751 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.44 ' O ' HD23 ' A' ' 37' ' ' LEU . 64.6 m-85 -91.88 129.33 37.87 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.29 0.994 . . . . 0.0 110.984 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.44 HD23 ' O ' ' A' ' 36' ' ' PHE . 0.6 OUTLIER -144.42 164.14 30.29 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.348 1.03 . . . . 0.0 109.017 -179.935 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 24.8 Cg_endo . . . . . 0 C--N 1.36 1.143 0 O-C-N 124.42 1.747 . . . . 0.0 110.981 179.659 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 21.1 m-30 . . . . . 0 N--CA 1.452 -0.359 0 N-CA-C 114.209 1.188 . . . . 0.0 114.209 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 15.8 p-10 -91.18 -12.77 34.39 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.464 1.102 . . . . 0.0 112.483 -178.909 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.424 ' HG3' ' CE1' ' A' ' 35' ' ' TYR . 8.4 ttm180 -112.94 124.09 51.81 Favored 'General case' 0 C--N 1.323 -0.571 0 O-C-N 124.057 0.848 . . . . 0.0 110.356 -179.443 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.488 ' HB ' HG22 ' A' ' 34' ' ' VAL . 47.1 t -98.36 146.83 7.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 O-C-N 124.393 1.058 . . . . 0.0 109.524 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 1.9 mtm180 -118.74 95.24 4.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.384 1.052 . . . . 0.0 109.574 179.761 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.597 HG13 ' HB3' ' A' ' 67' ' ' PRO . 9.7 t -88.24 156.38 3.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.694 1.247 . . . . 0.0 110.094 -179.598 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.435 ' O ' HG13 ' A' ' 63' ' ' VAL . 45.0 m-85 -128.49 147.47 50.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.414 1.071 . . . . 0.0 110.798 179.646 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 10.5 p90 -147.88 166.44 27.63 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.593 1.183 . . . . 0.0 111.584 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -85.78 138.66 35.33 Favored Pre-proline 0 C--N 1.326 -0.425 0 CA-C-N 114.821 -1.081 . . . . 0.0 109.393 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 30.7 Cg_endo -80.95 9.98 3.58 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.38 1.727 . . . . 0.0 112.525 179.641 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -91.08 -87.34 1.41 Allowed Glycine 0 CA--C 1.529 0.93 0 O-C-N 124.166 0.916 . . . . 0.0 110.99 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 14.9 t -91.92 2.81 56.29 Favored 'General case' 0 N--CA 1.449 -0.484 0 O-C-N 124.395 0.703 . . . . 0.0 112.491 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 3.6 m120 66.71 67.15 0.43 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.175 0.922 . . . . 0.0 109.285 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 2.1 t -135.84 140.48 44.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.402 1.064 . . . . 0.0 109.333 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.435 HG13 ' O ' ' A' ' 55' ' ' PHE . 41.0 t -75.67 141.37 15.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.414 1.071 . . . . 0.0 109.442 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.448 ' OD1' ' CE1' ' A' ' 65' ' ' HIS . 1.1 p30 -149.26 29.34 0.79 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.452 1.095 . . . . 0.0 110.008 -179.708 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' HIS . . . . . 0.448 ' CE1' ' OD1' ' A' ' 64' ' ' ASN . 78.1 m-70 -147.94 123.54 10.45 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 115.199 -0.91 . . . . 0.0 109.346 179.562 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.441 HG13 ' HA ' ' A' ' 11' ' ' PRO . 89.0 t -54.28 109.26 1.44 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.734 1.271 . . . . 0.0 109.567 179.799 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.597 ' HB3' HG13 ' A' ' 54' ' ' VAL . 45.4 Cg_endo -84.17 91.55 0.82 Allowed 'Trans proline' 0 C--N 1.358 1.057 0 O-C-N 124.443 1.759 . . . . 0.0 110.744 179.557 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -90.77 162.3 14.93 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.138 0.899 . . . . 0.0 110.052 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 15.9 t . . . . . 0 C--N 1.327 -0.401 0 O-C-N 124.427 1.08 . . . . 0.0 109.346 -179.99 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -135.14 104.75 10.38 Favored Pre-proline 0 N--CA 1.45 -0.464 0 O-C-N 124.373 1.045 . . . . 0.0 112.007 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 15.0 Cg_endo -71.62 -11.13 27.71 Favored 'Trans proline' 0 C--N 1.363 1.326 0 O-C-N 124.147 1.604 . . . . 0.0 112.507 -179.464 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -76.02 -18.61 59.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.062 0.851 . . . . 0.0 111.466 -179.651 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.467 ' HA ' ' CE ' ' A' ' 16' ' ' LYS . 19.6 t -91.67 50.82 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.294 0.996 . . . . 0.0 109.878 -179.598 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 24.6 t -139.43 120.98 15.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.385 1.053 . . . . 0.0 109.217 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 110.27 -31.13 7.65 Favored Glycine 0 CA--C 1.528 0.891 0 O-C-N 124.502 1.126 . . . . 0.0 112.163 179.767 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.467 ' CE ' ' HA ' ' A' ' 13' ' ' VAL . 0.1 OUTLIER -79.35 162.45 25.56 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.368 0.687 . . . . 0.0 109.184 -179.028 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.683 HG22 HG22 ' A' ' 62' ' ' VAL . 65.3 p -91.08 169.73 10.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.036 0.835 . . . . 0.0 110.269 179.84 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.527 HG13 ' CD1' ' A' ' 36' ' ' PHE . 20.6 t -48.72 -58.39 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 111.718 -179.856 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -50.62 -39.63 50.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.322 1.014 . . . . 0.0 111.013 -179.171 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 6.6 mm100 -63.65 -52.7 59.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.457 1.098 . . . . 0.0 110.206 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.85 -0.33 13.16 Favored 'General case' 0 N--CA 1.451 -0.388 0 O-C-N 124.604 1.19 . . . . 0.0 113.049 -179.798 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -83.54 -46.74 12.08 Favored 'General case' 0 C--N 1.321 -0.657 0 O-C-N 124.441 1.088 . . . . 0.0 109.543 -179.857 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -72.92 -26.17 61.31 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 114.659 -1.155 . . . . 0.0 110.137 179.692 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 68.1 t80 -70.06 -52.04 27.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.561 1.163 . . . . 0.0 111.331 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.517 ' CG ' HG21 ' A' ' 34' ' ' VAL . 5.1 m-85 -69.82 -26.28 64.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.539 1.149 . . . . 0.0 110.844 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 7.4 m -78.23 -34.61 49.13 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 112.179 -179.534 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 25.6 mt -80.14 -48.78 12.66 Favored 'General case' 0 N--CA 1.448 -0.545 0 N-CA-C 113.587 0.958 . . . . 0.0 113.587 -178.378 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 15.2 m80 -87.77 -34.97 18.13 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.171 0.92 . . . . 0.0 113.319 -177.642 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 40.5 m-85 -123.76 56.64 10.9 Favored Pre-proline 0 C--N 1.324 -0.516 0 N-CA-C 114.313 1.227 . . . . 0.0 114.313 -178.359 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -69.01 -7.41 20.76 Favored 'Trans proline' 0 C--N 1.358 1.055 0 O-C-N 123.949 1.5 . . . . 0.0 113.28 -179.064 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -102.31 17.56 23.16 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.448 1.092 . . . . 0.0 111.811 -179.498 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . 0.259 1.8 m-85 -124.66 134.96 52.71 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.226 -0.897 . . . . 0.0 109.958 179.807 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 15.7 t0 -89.32 92.19 9.06 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.518 1.136 . . . . 0.0 108.569 178.664 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.517 HG21 ' CG ' ' A' ' 25' ' ' PHE . 2.5 t -85.35 150.14 4.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.537 1.148 . . . . 0.0 109.935 -179.636 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.537 ' HE2' HH11 ' A' ' 51' ' ' ARG . 1.8 m-85 -123.39 156.79 34.76 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.323 1.015 . . . . 0.0 110.803 179.802 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.527 ' CD1' HG13 ' A' ' 18' ' ' VAL . 14.7 m-85 -143.01 107.89 4.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 110.972 -179.868 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.406 ' HB2' ' HD2' ' A' ' 38' ' ' PRO . 0.9 OUTLIER -143.3 166.54 19.53 Favored Pre-proline 0 C--N 1.326 -0.425 0 O-C-N 124.315 1.009 . . . . 0.0 109.195 -179.86 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.406 ' HD2' ' HB2' ' A' ' 37' ' ' LEU . 18.7 Cg_endo . . . . . 0 C--N 1.36 1.17 0 O-C-N 124.539 1.81 . . . . 0.0 111.214 -179.592 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 63.6 m-85 . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 113.199 0.814 . . . . 0.0 113.199 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 48.7 p-10 -87.87 -11.35 47.99 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.442 1.089 . . . . 0.0 111.797 179.441 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.537 HH11 ' HE2' ' A' ' 35' ' ' TYR . 3.1 ttm180 -106.8 113.23 26.6 Favored 'General case' 0 C--N 1.323 -0.577 0 O-C-N 123.988 0.805 . . . . 0.0 109.664 179.801 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.928 HG22 HG22 ' A' ' 69' ' ' VAL . 46.8 t -105.45 154.53 6.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 O-C-N 124.355 1.034 . . . . 0.0 110.756 -179.313 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.421 ' HA ' ' HB2' ' A' ' 35' ' ' TYR . 46.2 mtt180 -122.24 136.54 54.92 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 114.751 -1.113 . . . . 0.0 109.511 179.821 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 21.6 t -123.91 154.76 30.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.637 1.211 . . . . 0.0 109.862 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 63.8 m-85 -126.17 140.59 52.44 Favored 'General case' 0 C--N 1.327 -0.392 0 O-C-N 124.464 1.102 . . . . 0.0 111.257 179.755 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 13.0 p90 -139.76 170.37 16.01 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 114.919 -1.037 . . . . 0.0 110.435 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -87.68 129.75 49.58 Favored Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.313 1.008 . . . . 0.0 109.505 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_endo -85.03 37.85 0.63 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.236 1.65 . . . . 0.0 113.266 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -141.81 -63.86 0.03 OUTLIER Glycine 0 CA--C 1.531 1.052 0 N-CA-C 110.585 -1.006 . . . . 0.0 110.585 179.663 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 9.3 t -88.13 -18.5 28.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 0.784 . . . . 0.0 111.064 179.521 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 69.81 63.12 0.25 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.206 0.941 . . . . 0.0 109.033 -179.677 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.683 HG22 HG22 ' A' ' 17' ' ' THR . 96.2 t -142.21 143.28 26.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.578 1.174 . . . . 0.0 109.827 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 66.1 t -80.99 129.67 37.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 114.99 -1.005 . . . . 0.0 109.091 179.721 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.451 ' OD1' ' CE1' ' A' ' 65' ' ' HIS . 0.9 OUTLIER -142.1 35.55 1.54 Allowed 'General case' 0 C--N 1.327 -0.386 0 O-C-N 124.517 1.135 . . . . 0.0 110.505 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 65' ' ' HIS . . . . . 0.451 ' CE1' ' OD1' ' A' ' 64' ' ' ASN . 22.7 m-70 -148.55 123.83 10.22 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.351 1.032 . . . . 0.0 109.331 179.582 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 60.4 t -57.4 110.3 2.37 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.778 1.299 . . . . 0.0 109.117 179.572 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.434 ' HG2' ' HB ' ' A' ' 13' ' ' VAL . 56.1 Cg_endo -83.76 111.36 1.71 Allowed 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.445 1.761 . . . . 0.0 111.576 -179.28 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -106.17 164.62 11.85 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.1 -0.955 . . . . 0.0 109.246 179.761 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.928 HG22 HG22 ' A' ' 52' ' ' VAL . 1.4 t . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.647 1.217 . . . . 0.0 108.947 178.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.9 p . . . . . 0 CA--C 1.532 0.257 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -122.21 98.01 44.81 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 111.226 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.544 ' HA ' HG13 ' A' ' 66' ' ' VAL . 10.9 Cg_endo -71.08 -8.9 24.57 Favored 'Trans proline' 0 C--N 1.366 1.484 0 O-C-N 124.046 1.551 . . . . 0.0 112.561 -179.758 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -79.67 8.13 7.15 Favored 'General case' 0 C--N 1.323 -0.566 0 O-C-N 123.994 0.809 . . . . 0.0 112.67 -179.141 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 59.9 t -95.27 -25.05 4.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 124.074 0.858 . . . . 0.0 110.207 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 6.4 t -60.26 125.26 16.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.552 -179.784 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 117.04 -39.29 2.71 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.507 1.129 . . . . 0.0 112.782 179.477 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.464 ' HB3' ' CG ' ' A' ' 20' ' ' GLN . 2.3 mtpt -77.1 166.36 23.38 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.325 0.662 . . . . 0.0 109.771 -179.017 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -100.32 166.99 10.69 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.121 . . . . 0.0 110.012 -179.645 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.657 HG13 ' CE2' ' A' ' 36' ' ' PHE . 24.1 t -46.24 -63.08 0.31 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.533 0 O-C-N 123.873 0.733 . . . . 0.0 112.597 -179.527 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 14.9 p-10 -50.44 -40.23 49.94 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 123.904 0.753 . . . . 0.0 111.804 -178.704 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.464 ' CG ' ' HB3' ' A' ' 16' ' ' LYS . 9.4 tp60 -63.68 -51.77 63.6 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.239 -0.891 . . . . 0.0 110.086 -179.867 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.78 -5.72 17.72 Favored 'General case' 0 N--CA 1.452 -0.339 0 O-C-N 124.398 1.061 . . . . 0.0 113.359 -179.655 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -80.64 -46.29 15.86 Favored 'General case' 0 C--N 1.32 -0.709 0 O-C-N 124.936 1.397 . . . . 0.0 109.031 179.167 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.24 -24.43 64.0 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 114.412 -1.267 . . . . 0.0 109.961 179.383 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.441 ' C ' ' CD1' ' A' ' 24' ' ' TYR . 3.7 t80 -65.54 -51.44 59.86 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 110.777 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.715 ' CD2' HG21 ' A' ' 34' ' ' VAL . 17.4 m-85 -68.7 -23.22 64.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 110.593 179.745 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 23.7 m -67.64 -30.33 69.87 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.319 1.012 . . . . 0.0 110.21 179.821 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 16.5 mt -86.44 -46.19 10.45 Favored 'General case' 0 N--CA 1.449 -0.49 0 N-CA-C 114.269 1.211 . . . . 0.0 114.269 -178.196 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 90.1 m-70 -86.24 -53.65 4.91 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.054 0.846 . . . . 0.0 113.234 -177.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 51.5 m-85 -119.26 75.47 15.92 Favored Pre-proline 0 C--N 1.323 -0.559 0 N-CA-C 114.052 1.13 . . . . 0.0 114.052 -178.329 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -73.9 2.12 6.34 Favored 'Trans proline' 0 C--N 1.359 1.091 0 O-C-N 123.817 1.43 . . . . 0.0 113.229 -178.798 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 6.3 pm0 -115.38 21.11 14.35 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.287 0.992 . . . . 0.0 110.705 179.59 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 1.6 m-30 -120.37 117.5 27.92 Favored 'General case' 0 C--N 1.322 -0.601 0 O-C-N 124.258 0.973 . . . . 0.0 110.273 179.55 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -85.74 102.59 13.77 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 107.856 -1.164 . . . . 0.0 107.856 177.299 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.715 HG21 ' CD2' ' A' ' 25' ' ' PHE . 2.5 t -84.85 150.64 3.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 O-C-N 124.536 1.148 . . . . 0.0 110.946 -178.904 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.417 ' HB2' ' HA ' ' A' ' 53' ' ' ARG . 6.6 m-30 -114.82 147.37 39.93 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.027 -0.988 . . . . 0.0 110.271 179.186 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.657 ' CE2' HG13 ' A' ' 18' ' ' VAL . 8.1 m-85 -128.38 115.65 18.57 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.684 1.24 . . . . 0.0 110.7 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.408 HD23 ' O ' ' A' ' 36' ' ' PHE . 3.5 mt -144.75 160.68 46.4 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.315 1.009 . . . . 0.0 109.219 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 22.1 Cg_endo . . . . . 0 C--N 1.359 1.094 0 O-C-N 124.515 1.797 . . . . 0.0 110.56 179.427 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 69.9 m-85 . . . . . 0 N--CA 1.45 -0.434 0 N-CA-C 112.945 0.72 . . . . 0.0 112.945 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -88.97 -11.6 43.9 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.458 1.099 . . . . 0.0 112.08 -179.656 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 11.7 ttm180 -122.6 123.68 41.74 Favored 'General case' 0 C--N 1.323 -0.575 0 O-C-N 124.138 0.899 . . . . 0.0 111.107 -178.56 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 1.091 ' CG2' HG22 ' A' ' 69' ' ' VAL . 65.7 t -117.3 154.35 19.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.274 0.983 . . . . 0.0 108.486 179.255 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.417 ' HA ' ' HB2' ' A' ' 35' ' ' TYR . 2.5 mtm-85 -122.01 149.85 42.91 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.488 1.118 . . . . 0.0 110.275 -179.237 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 77.0 t -142.11 149.25 19.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 O-C-N 124.459 1.1 . . . . 0.0 109.684 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.499 ' N ' ' CD1' ' A' ' 55' ' ' PHE . 1.0 OUTLIER -118.63 134.38 55.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 110.902 -179.912 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 14.0 p90 -142.89 168.19 20.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.427 1.079 . . . . 0.0 110.468 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -85.0 132.39 45.85 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.434 1.084 . . . . 0.0 109.623 -179.649 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_endo -81.1 10.24 3.49 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.268 1.667 . . . . 0.0 112.403 179.58 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -95.76 -67.49 0.98 Allowed Glycine 0 CA--C 1.529 0.923 0 O-C-N 124.138 0.899 . . . . 0.0 111.649 -179.643 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 14.3 t -108.93 -0.21 19.79 Favored 'General case' 0 N--CA 1.45 -0.47 0 O-C-N 124.309 0.652 . . . . 0.0 112.726 -179.676 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 8.2 m-20 68.79 70.98 0.28 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.073 0.858 . . . . 0.0 109.21 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 12.1 t -143.47 134.18 22.2 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.363 0 O-C-N 124.57 1.169 . . . . 0.0 110.476 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 61.5 t -72.39 132.87 32.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 114.874 -1.057 . . . . 0.0 109.74 179.764 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.443 ' O ' ' CD2' ' A' ' 65' ' ' HIS . 16.4 p30 -140.16 24.71 2.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.429 1.081 . . . . 0.0 109.826 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' HIS . . . . . 0.443 ' CD2' ' O ' ' A' ' 64' ' ' ASN . 37.1 m80 -148.34 139.68 23.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.349 1.031 . . . . 0.0 109.527 179.779 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.544 HG13 ' HA ' ' A' ' 11' ' ' PRO . 10.8 t -66.55 114.74 18.74 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.494 1.121 . . . . 0.0 109.583 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -79.78 145.62 18.14 Favored 'Trans proline' 0 C--N 1.358 1.064 0 O-C-N 124.532 1.806 . . . . 0.0 110.865 179.54 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -140.17 163.3 33.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.314 1.008 . . . . 0.0 109.633 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 1.091 HG22 ' CG2' ' A' ' 52' ' ' VAL . 6.3 t . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 0.0 109.312 179.9 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 91.9 p . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -124.57 97.67 38.92 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.555 1.16 . . . . 0.0 110.791 179.763 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -73.61 -6.17 18.28 Favored 'Trans proline' 0 C--N 1.365 1.421 0 O-C-N 124.159 1.61 . . . . 0.0 112.611 -179.767 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 23.0 tp10 -71.07 -20.12 62.39 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.105 0.878 . . . . 0.0 110.903 -179.98 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 3.3 t -91.59 45.28 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.314 1.009 . . . . 0.0 109.226 179.881 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 37.6 t -115.03 123.2 70.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.157 . . . . 0.0 109.177 179.854 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 113.87 -23.43 13.1 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.599 1.187 . . . . 0.0 110.988 -179.958 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.7 mttp -76.21 162.37 28.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 0.774 . . . . 0.0 108.982 -179.606 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -98.77 164.22 12.31 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.105 0.878 . . . . 0.0 109.895 179.962 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.448 HG13 ' CG ' ' A' ' 36' ' ' PHE . 40.2 t -45.12 -59.94 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.322 1.014 . . . . 0.0 112.719 -179.448 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -50.55 -40.19 51.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.011 0.82 . . . . 0.0 111.327 -179.122 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 13.8 mm-40 -63.69 -52.53 60.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.348 1.03 . . . . 0.0 110.084 -179.822 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.39 -0.86 13.56 Favored 'General case' 0 N--CA 1.452 -0.348 0 O-C-N 124.691 1.244 . . . . 0.0 113.108 -179.688 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.448 ' HA ' ' HD3' ' A' ' 22' ' ' ARG . 11.2 tpp85 -83.03 -46.68 12.56 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 124.456 1.098 . . . . 0.0 109.526 179.86 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -73.97 -23.94 59.55 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 114.444 -1.253 . . . . 0.0 110.566 179.951 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 39.4 t80 -69.84 -49.13 55.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.445 1.091 . . . . 0.0 112.202 -179.585 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.8 ' CG ' HG21 ' A' ' 34' ' ' VAL . 7.4 m-85 -70.89 -22.88 62.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 111.871 -179.414 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 45.5 m -74.55 -30.9 61.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.237 0.96 . . . . 0.0 111.46 -179.797 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 17.4 mt -88.86 -45.31 9.82 Favored 'General case' 0 N--CA 1.449 -0.491 0 N-CA-C 114.336 1.236 . . . . 0.0 114.336 -178.025 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 93.9 m-70 -82.8 -42.1 18.3 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.062 0.851 . . . . 0.0 112.877 -178.604 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 46.0 m-85 -119.62 75.66 18.79 Favored Pre-proline 0 C--N 1.323 -0.576 0 N-CA-C 114.068 1.136 . . . . 0.0 114.068 -178.925 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 22.3 Cg_endo -80.82 10.22 3.44 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.01 1.531 . . . . 0.0 112.916 179.976 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -124.54 19.36 8.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.431 1.082 . . . . 0.0 111.283 -179.713 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . 0.273 3.1 m-85 -129.58 134.85 47.95 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.16 -0.927 . . . . 0.0 110.043 -179.358 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.412 ' HB2' ' HG3' ' A' ' 51' ' ' ARG . 4.9 m-20 -89.53 97.61 11.29 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.422 1.076 . . . . 0.0 108.365 178.652 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.8 HG21 ' CG ' ' A' ' 25' ' ' PHE . 3.1 t -84.1 151.38 3.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.627 1.204 . . . . 0.0 109.324 -179.807 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.437 ' CE2' ' HD2' ' A' ' 51' ' ' ARG . 47.6 m-85 -144.61 131.53 20.3 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.585 1.178 . . . . 0.0 110.969 179.754 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.515 ' CD1' ' HB ' ' A' ' 54' ' ' VAL . 32.3 m-85 -113.38 106.33 14.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.374 1.046 . . . . 0.0 110.469 179.8 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.429 ' HB3' ' HD2' ' A' ' 38' ' ' PRO . 52.2 mt -130.94 164.22 43.54 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.284 0.99 . . . . 0.0 109.412 -179.518 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.429 ' HD2' ' HB3' ' A' ' 37' ' ' LEU . 3.4 Cg_endo . . . . . 0 C--N 1.361 1.227 0 O-C-N 124.386 1.73 . . . . 0.0 110.745 179.584 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 62.6 m-85 . . . . . 0 CA--C 1.535 0.402 0 CA-C-O 120.646 0.26 . . . . 0.0 110.412 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -93.7 -9.17 38.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.683 1.24 . . . . 0.0 112.199 -179.132 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.437 ' HD2' ' CE2' ' A' ' 35' ' ' TYR . 1.7 ttp180 -108.8 128.87 55.27 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.086 0.866 . . . . 0.0 109.937 -179.323 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.588 ' HB ' HG22 ' A' ' 34' ' ' VAL . 5.6 t -99.57 137.68 26.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 124.414 1.071 . . . . 0.0 109.328 179.839 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.14 93.46 4.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.828 179.965 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 1.034 HG13 ' HB3' ' A' ' 67' ' ' PRO . 3.7 t -92.04 159.6 2.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.597 1.186 . . . . 0.0 109.143 179.727 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -125.99 146.29 49.94 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.455 1.097 . . . . 0.0 111.449 -179.869 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 19.5 p90 -144.55 166.65 24.55 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.484 1.115 . . . . 0.0 110.543 179.747 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -91.66 126.35 54.34 Favored Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 124.578 1.174 . . . . 0.0 109.421 -179.779 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_endo -73.85 1.71 6.76 Favored 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.412 1.743 . . . . 0.0 112.774 -179.757 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -99.79 -78.65 1.38 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.168 0.917 . . . . 0.0 111.628 -179.611 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.8 t -70.92 -16.38 62.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.399 0.705 . . . . 0.0 111.699 -179.864 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.0 m120 68.9 43.74 1.15 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.303 1.002 . . . . 0.0 108.995 -179.663 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 22.6 t -133.95 149.57 30.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.597 1.185 . . . . 0.0 109.379 -179.824 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 42.8 t -79.25 130.18 36.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.39 1.056 . . . . 0.0 109.476 -179.983 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 8.1 p-10 -135.08 27.81 3.5 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.671 1.232 . . . . 0.0 109.218 179.948 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 98.3 m-70 -144.73 124.89 13.66 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.475 1.11 . . . . 0.0 109.654 179.905 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 38.6 t -55.87 112.01 3.81 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.566 1.166 . . . . 0.0 108.918 179.71 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 1.034 ' HB3' HG13 ' A' ' 54' ' ' VAL . 23.8 Cg_endo -73.44 140.35 30.03 Favored 'Trans proline' 0 C--N 1.361 1.223 0 O-C-N 124.572 1.827 . . . . 0.0 111.27 -179.375 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 3.3 p-80 -138.41 165.05 27.78 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 114.906 -1.043 . . . . 0.0 109.039 -179.929 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.444 HG13 HG22 ' A' ' 52' ' ' VAL . 3.8 t . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 109.546 179.763 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.427 ' HB3' ' HB3' ' A' ' 68' ' ' HIS . 30.8 p . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.919 -0.4 . . . . 0.0 109.919 . . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.406 ' O ' HG12 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -126.8 97.78 32.32 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.903 -179.866 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_endo -77.18 -1.51 11.69 Favored 'Trans proline' 0 C--N 1.363 1.312 0 O-C-N 124.114 1.586 . . . . 0.0 113.092 -179.761 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.23 -25.81 60.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.291 0.995 . . . . 0.0 109.948 -179.441 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.406 HG12 ' O ' ' A' ' 10' ' ' PHE . 9.7 p -95.1 39.36 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.661 1.225 . . . . 0.0 109.987 -179.766 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.5 t -98.6 137.36 26.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.387 1.055 . . . . 0.0 109.138 179.819 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 90.58 -15.51 60.11 Favored Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.463 1.102 . . . . 0.0 112.059 -179.944 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.497 ' O ' HG13 ' A' ' 62' ' ' VAL . 6.9 mttt -72.16 -165.66 0.19 Allowed 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 -179.967 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.731 HG22 HG22 ' A' ' 62' ' ' VAL . 6.1 p -129.17 166.68 18.87 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.256 0.972 . . . . 0.0 110.264 -179.735 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.785 HG13 ' CE1' ' A' ' 36' ' ' PHE . 58.6 t -48.05 -58.48 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 111.761 -179.82 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -55.11 -36.11 65.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.215 0.947 . . . . 0.0 111.041 -179.082 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.66 -52.67 56.11 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.551 1.157 . . . . 0.0 109.352 -179.833 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.19 -0.37 14.08 Favored 'General case' 0 C--N 1.329 -0.303 0 O-C-N 124.592 1.182 . . . . 0.0 112.741 179.971 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 8.2 ttm180 -82.2 -46.12 14.17 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 124.468 1.105 . . . . 0.0 109.352 179.697 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -73.01 -27.59 61.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 114.722 -1.127 . . . . 0.0 110.169 179.749 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 22.8 t80 -64.13 -49.7 71.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.561 1.163 . . . . 0.0 111.433 -179.963 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.761 ' CD2' HG21 ' A' ' 34' ' ' VAL . 11.4 m-85 -67.52 -25.66 65.95 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.501 1.126 . . . . 0.0 111.233 -179.788 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 87.2 m -72.7 -30.51 64.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.153 0.908 . . . . 0.0 110.878 179.984 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 15.1 mt -87.97 -43.94 11.38 Favored 'General case' 0 N--CA 1.449 -0.493 0 N-CA-C 113.624 0.972 . . . . 0.0 113.624 -178.317 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 4.5 m80 -89.45 -48.23 7.47 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 113.748 1.018 . . . . 0.0 113.748 -176.849 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 42.3 m-85 -119.6 75.51 18.52 Favored Pre-proline 0 C--N 1.324 -0.511 0 N-CA-C 114.719 1.377 . . . . 0.0 114.719 -178.54 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 5.5 Cg_endo -72.61 0.83 7.0 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 123.82 1.432 . . . . 0.0 113.184 179.763 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 6.3 pm0 -117.5 21.57 12.95 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.267 0.979 . . . . 0.0 110.678 179.876 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . 0.255 1.1 m-30 -123.02 115.52 22.01 Favored 'General case' 0 N--CA 1.447 -0.575 0 CA-C-N 115.018 -0.992 . . . . 0.0 109.922 179.816 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 85.9 m-20 -86.92 104.41 16.22 Favored 'General case' 0 C--N 1.323 -0.578 0 O-C-N 124.407 1.067 . . . . 0.0 108.236 178.233 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.761 HG21 ' CD2' ' A' ' 25' ' ' PHE . 3.4 t -85.57 151.16 3.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.515 1.134 . . . . 0.0 110.589 -179.05 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 34.6 m-85 -136.62 119.76 16.61 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 114.85 -1.068 . . . . 0.0 110.434 179.537 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.785 ' CE1' HG13 ' A' ' 18' ' ' VAL . 55.5 m-85 -92.09 138.3 31.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.261 0.975 . . . . 0.0 111.543 -179.707 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.437 HD23 ' O ' ' A' ' 36' ' ' PHE . 0.8 OUTLIER -143.78 155.09 59.74 Favored Pre-proline 0 C--N 1.326 -0.427 0 O-C-N 124.354 1.034 . . . . 0.0 109.079 179.861 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.359 1.122 0 O-C-N 124.54 1.811 . . . . 0.0 110.963 -179.638 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 10.4 m-30 . . . . . 0 CA--C 1.534 0.334 0 N-CA-C 111.404 0.15 . . . . 0.0 111.404 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -92.09 -9.15 43.69 Favored 'General case' 0 N--CA 1.449 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 112.152 -179.453 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 1.7 ttp180 -114.7 125.5 53.8 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 123.989 0.805 . . . . 0.0 110.915 -178.938 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.615 HG22 HG13 ' A' ' 69' ' ' VAL . 0.3 OUTLIER -120.3 117.42 53.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 O-C-N 124.368 1.043 . . . . 0.0 110.175 179.956 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 12.0 mtp85 -87.88 135.75 33.26 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 114.977 -1.01 . . . . 0.0 110.796 179.655 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.433 HG11 ' CE1' ' A' ' 36' ' ' PHE . 74.6 t -123.19 150.72 27.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.209 0.943 . . . . 0.0 109.605 -179.868 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 56.5 m-85 -125.15 139.18 53.99 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.458 1.099 . . . . 0.0 111.121 179.817 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 36.2 p90 -143.62 159.75 41.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 0.0 110.438 179.763 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -66.88 142.86 97.69 Favored Pre-proline 0 C--N 1.327 -0.378 0 O-C-N 124.563 1.164 . . . . 0.0 109.691 -179.274 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_endo -81.08 10.24 3.49 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.296 1.682 . . . . 0.0 112.535 -179.89 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -111.94 -85.54 1.52 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.246 0.966 . . . . 0.0 112.317 -179.55 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 10.2 t -77.21 -13.08 60.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.332 0.666 . . . . 0.0 112.211 -179.249 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 4.6 m120 70.47 73.62 0.21 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.418 1.074 . . . . 0.0 108.891 -179.554 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.731 HG22 HG22 ' A' ' 17' ' ' THR . 9.5 t -141.33 134.45 30.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.655 1.222 . . . . 0.0 110.13 -179.616 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 38.1 t -69.95 121.87 20.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.37 1.044 . . . . 0.0 109.032 179.333 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.444 ' OD1' ' CE1' ' A' ' 65' ' ' HIS . 1.5 p30 -135.35 27.54 3.43 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.604 1.19 . . . . 0.0 109.071 179.813 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 65' ' ' HIS . . . . . 0.444 ' CE1' ' OD1' ' A' ' 64' ' ' ASN . 66.2 m-70 -143.66 124.53 14.28 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 114.794 -1.094 . . . . 0.0 108.878 179.45 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 85.5 t -53.13 109.65 1.59 Allowed Pre-proline 0 C--N 1.323 -0.577 0 O-C-N 125.041 1.463 . . . . 0.0 109.327 -179.973 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 28.6 Cg_endo -77.44 145.49 23.76 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.473 1.775 . . . . 0.0 110.696 -179.628 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.427 ' HB3' ' HB3' ' A' ' 9' ' ' SER . 1.6 p-80 -148.94 163.19 38.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.373 1.046 . . . . 0.0 109.697 -179.636 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.615 HG13 HG22 ' A' ' 52' ' ' VAL . 1.7 t . . . . . 0 C--N 1.326 -0.441 0 O-C-N 124.606 1.191 . . . . 0.0 108.878 179.468 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 57.3 m . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -136.27 76.67 49.89 Favored Pre-proline 0 C--N 1.326 -0.425 0 O-C-N 124.516 1.135 . . . . 0.0 111.126 179.886 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 10.4 Cg_endo -67.65 -17.62 48.0 Favored 'Trans proline' 0 C--N 1.365 1.414 0 O-C-N 124.038 1.546 . . . . 0.0 112.429 -179.13 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -78.15 5.85 9.27 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.16 0.913 . . . . 0.0 112.543 -179.344 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 11.0 t -103.16 38.49 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.004 0.815 . . . . 0.0 109.697 -179.748 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 53.6 t -102.24 134.65 42.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.426 1.079 . . . . 0.0 109.127 179.832 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 99.83 -25.55 27.84 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.461 1.101 . . . . 0.0 110.702 -179.758 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.417 ' HG2' ' HG3' ' A' ' 20' ' ' GLN . 3.3 mptt -72.05 164.55 25.95 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 179.773 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.52 HG23 ' HB2' ' A' ' 20' ' ' GLN . 0.5 OUTLIER -108.71 168.48 9.31 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.405 1.065 . . . . 0.0 110.018 -179.466 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.495 HG13 ' CE1' ' A' ' 36' ' ' PHE . 21.3 t -45.91 -59.8 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.519 0 O-C-N 124.014 0.821 . . . . 0.0 112.532 -179.502 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -56.44 -35.86 68.34 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.008 0.817 . . . . 0.0 110.534 -179.208 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.52 ' HB2' HG23 ' A' ' 17' ' ' THR . 0.0 OUTLIER -63.5 -52.4 61.43 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.284 0.99 . . . . 0.0 110.198 -179.832 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.91 -2.41 15.01 Favored 'General case' 0 N--CA 1.452 -0.351 0 O-C-N 124.589 1.181 . . . . 0.0 113.253 -179.634 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.3 tpm_? -82.91 -46.42 12.98 Favored 'General case' 0 C--N 1.321 -0.657 0 O-C-N 124.631 1.207 . . . . 0.0 109.627 179.752 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -69.86 -27.5 64.89 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 114.668 -1.151 . . . . 0.0 110.105 179.691 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.408 ' C ' ' CD1' ' A' ' 24' ' ' TYR . 7.7 t80 -65.07 -51.74 59.69 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.547 1.154 . . . . 0.0 111.004 179.993 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.418 ' CD2' HG21 ' A' ' 34' ' ' VAL . 13.9 m-85 -67.8 -36.59 80.7 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.647 1.217 . . . . 0.0 110.888 -179.938 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 18.4 m -57.01 -30.73 64.43 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.186 0.929 . . . . 0.0 110.977 179.856 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 26.4 mt -86.31 -49.14 7.89 Favored 'General case' 0 C--O 1.238 0.494 0 N-CA-C 114.713 1.375 . . . . 0.0 114.713 -177.798 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 4.9 m170 -92.4 -52.37 4.7 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 114.08 1.141 . . . . 0.0 114.08 -177.48 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.445 ' HB3' ' CD2' ' A' ' 32' ' ' TYR . 49.7 m-85 -118.31 53.15 1.68 Allowed Pre-proline 0 N--CA 1.45 -0.44 0 N-CA-C 114.82 1.415 . . . . 0.0 114.82 -178.187 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 20.0 Cg_endo -67.29 -8.02 20.76 Favored 'Trans proline' 0 C--N 1.358 1.078 0 O-C-N 123.913 1.48 . . . . 0.0 112.536 179.744 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -96.28 26.32 4.37 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.167 0.917 . . . . 0.0 113.124 -179.03 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.445 ' CD2' ' HB3' ' A' ' 29' ' ' TYR . 0.4 OUTLIER -124.32 142.63 51.11 Favored 'General case' 0 CA--C 1.545 0.769 0 O-C-N 124.036 0.835 . . . . 0.0 108.948 179.597 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -86.4 97.43 10.45 Favored 'General case' 0 C--N 1.323 -0.578 0 O-C-N 124.922 1.389 . . . . 0.0 108.015 177.941 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.418 HG21 ' CD2' ' A' ' 25' ' ' PHE . 2.2 t -85.31 141.92 13.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.695 1.247 . . . . 0.0 111.204 -178.938 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.509 ' CE2' ' HD3' ' A' ' 51' ' ' ARG . 2.3 m-30 -117.16 154.02 31.81 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 114.936 -1.029 . . . . 0.0 110.431 179.156 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.495 ' CE1' HG13 ' A' ' 18' ' ' VAL . 4.5 m-85 -135.06 106.11 6.65 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.709 1.256 . . . . 0.0 110.759 179.717 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.486 ' CB ' ' CD ' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -146.0 179.77 1.1 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.36 1.038 . . . . 0.0 109.081 -179.898 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.486 ' CD ' ' CB ' ' A' ' 37' ' ' LEU . 9.4 Cg_endo . . . . . 0 C--N 1.359 1.082 0 O-C-N 124.555 1.818 . . . . 0.0 110.75 179.529 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 57.2 m-85 . . . . . 0 CA--C 1.538 0.512 0 N-CA-C 114.123 1.157 . . . . 0.0 114.123 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 46.6 p-10 -93.45 -9.43 38.55 Favored 'General case' 0 C--N 1.323 -0.565 0 O-C-N 124.701 1.251 . . . . 0.0 112.422 -178.423 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.509 ' HD3' ' CE2' ' A' ' 35' ' ' TYR . 12.3 ttm180 -94.36 122.35 36.83 Favored 'General case' 0 C--N 1.323 -0.584 0 O-C-N 124.024 0.827 . . . . 0.0 110.318 -179.278 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.588 HG22 HG22 ' A' ' 69' ' ' VAL . 48.5 t -104.19 119.8 53.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 O-C-N 124.335 1.022 . . . . 0.0 110.088 -179.94 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 25.8 mtm-85 -88.72 120.62 30.28 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.121 -0.945 . . . . 0.0 111.197 179.807 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 10.8 t -113.1 144.99 19.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.267 0.98 . . . . 0.0 109.182 179.959 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.433 ' HB2' ' HB2' ' A' ' 65' ' ' HIS . 21.0 m-85 -123.68 140.86 52.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.552 1.157 . . . . 0.0 111.242 -179.819 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 11.3 p90 -146.48 169.56 18.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 110.405 -179.962 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.414 ' ND2' ' HD2' ' A' ' 58' ' ' PRO . 7.0 t-20 -94.14 137.77 22.79 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.212 0.945 . . . . 0.0 110.239 -179.34 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.414 ' HD2' ' ND2' ' A' ' 57' ' ' ASN . 26.5 Cg_endo -79.1 -17.21 11.99 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.307 1.688 . . . . 0.0 111.71 179.511 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -51.53 -28.09 20.24 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.356 1.035 . . . . 0.0 110.877 179.97 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.485 HG23 ' H ' ' A' ' 61' ' ' ASN . 0.0 OUTLIER -160.58 -72.12 0.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.424 0.72 . . . . 0.0 110.362 179.601 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.485 ' H ' HG23 ' A' ' 60' ' ' THR . 4.8 m-20 159.16 82.76 0.0 OUTLIER 'General case' 0 CA--C 1.543 0.698 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 178.219 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 40.3 t -142.41 158.67 19.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 O-C-N 124.582 1.176 . . . . 0.0 109.391 -179.686 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 55.9 t -101.5 117.86 47.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.365 1.041 . . . . 0.0 108.976 179.686 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -128.26 27.58 5.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.816 1.322 . . . . 0.0 109.427 -179.819 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 65' ' ' HIS . . . . . 0.433 ' HB2' ' HB2' ' A' ' 55' ' ' PHE . 93.0 m-70 -148.51 125.2 11.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.412 179.793 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 78.3 t -53.29 109.67 1.61 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.621 1.2 . . . . 0.0 109.444 -179.993 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_endo -80.76 115.95 3.13 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.508 1.794 . . . . 0.0 110.748 179.669 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 7.2 p-80 -130.15 162.62 28.44 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.277 0.986 . . . . 0.0 110.168 -179.901 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.588 HG22 HG22 ' A' ' 52' ' ' VAL . 37.1 t . . . . . 0 C--N 1.326 -0.414 0 O-C-N 124.441 1.088 . . . . 0.0 109.138 179.892 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.423 ' C ' ' CD1' ' A' ' 10' ' ' PHE . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 . . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.423 ' CD1' ' C ' ' A' ' 9' ' ' SER . 0.5 OUTLIER -129.73 76.25 78.66 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.6 1.188 . . . . 0.0 111.456 179.986 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.408 ' HA ' HG13 ' A' ' 66' ' ' VAL . 11.8 Cg_endo -67.29 -44.04 5.34 Favored 'Trans proline' 0 C--N 1.367 1.511 0 O-C-N 123.701 1.369 . . . . 0.0 113.566 -178.822 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.33 -15.37 47.77 Favored 'General case' 0 N--CA 1.448 -0.544 0 O-C-N 124.33 1.019 . . . . 0.0 110.778 -179.759 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.544 HG13 ' HE3' ' A' ' 16' ' ' LYS . 17.3 t -90.88 45.96 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.377 1.048 . . . . 0.0 110.018 -179.552 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.764 HG21 HG22 ' A' ' 66' ' ' VAL . 99.0 t -127.9 145.85 34.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.352 1.033 . . . . 0.0 108.87 179.576 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 99.34 -21.54 45.03 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.402 1.064 . . . . 0.0 110.901 -179.485 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.544 ' HE3' HG13 ' A' ' 13' ' ' VAL . 2.9 mttt -73.01 -157.79 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.251 -1.018 . . . . 0.0 108.251 179.71 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -131.42 161.05 33.36 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.434 1.084 . . . . 0.0 110.172 179.712 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.616 HG22 ' CD1' ' A' ' 36' ' ' PHE . 44.1 t -47.61 -48.87 10.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.547 1.154 . . . . 0.0 112.369 -179.388 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -54.95 -42.09 71.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.064 0.852 . . . . 0.0 112.669 -178.593 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 20.6 mm-40 -62.16 -55.04 32.63 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.321 1.013 . . . . 0.0 109.799 -179.769 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.43 -0.34 12.28 Favored 'General case' 0 C--N 1.327 -0.374 0 O-C-N 124.783 1.302 . . . . 0.0 113.282 -179.344 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.443 ' HD3' ' HA ' ' A' ' 22' ' ' ARG . 19.9 tpp85 -82.4 -46.66 13.23 Favored 'General case' 0 C--N 1.322 -0.592 0 O-C-N 124.522 1.139 . . . . 0.0 109.608 -179.981 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -75.38 -25.39 57.62 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 114.688 -1.142 . . . . 0.0 110.733 -179.89 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 59.0 t80 -75.45 -49.29 19.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.404 1.065 . . . . 0.0 112.721 -179.259 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 11.2 m-30 -71.85 -21.33 61.69 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.345 1.028 . . . . 0.0 111.633 -179.432 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 4.3 m -78.74 -34.89 45.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.366 1.041 . . . . 0.0 112.428 -179.288 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.406 HD23 ' HA ' ' A' ' 27' ' ' LEU . 17.2 mt -89.81 -46.99 8.19 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 113.637 0.977 . . . . 0.0 113.637 -178.26 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.516 ' HB2' ' CD1' ' A' ' 29' ' ' TYR . 16.9 m80 -86.67 -33.7 19.99 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.134 0.896 . . . . 0.0 113.009 -177.887 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.516 ' CD1' ' HB2' ' A' ' 28' ' ' HIS . 11.9 m-85 -119.27 52.48 1.91 Allowed Pre-proline 0 C--N 1.323 -0.548 0 N-CA-C 113.709 1.003 . . . . 0.0 113.709 -178.865 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.412 ' CD ' ' N ' ' A' ' 29' ' ' TYR . 19.7 Cg_endo -65.92 -21.17 57.53 Favored 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 123.997 1.525 . . . . 0.0 114.003 -178.997 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 8.4 pm0 -89.98 15.2 10.45 Favored 'General case' 0 N--CA 1.451 -0.416 0 O-C-N 124.021 0.825 . . . . 0.0 112.67 -178.838 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.504 ' CE2' HG21 ' A' ' 69' ' ' VAL 0.256 1.1 m-30 -123.12 132.67 54.17 Favored 'General case' 0 C--N 1.322 -0.599 0 O-C-N 124.223 0.952 . . . . 0.0 109.747 179.682 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 -88.38 96.06 10.44 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.456 1.098 . . . . 0.0 108.369 178.466 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.567 HG22 ' HB ' ' A' ' 52' ' ' VAL . 2.7 t -85.84 149.35 4.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.604 1.19 . . . . 0.0 110.504 -179.303 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.514 ' CE2' ' HD3' ' A' ' 51' ' ' ARG . 4.4 m-30 -134.34 156.96 47.56 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 115.009 -0.996 . . . . 0.0 109.991 179.181 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.616 ' CD1' HG22 ' A' ' 18' ' ' VAL . 34.3 m-85 -136.71 99.77 4.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.913 1.383 . . . . 0.0 110.706 179.794 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.426 ' HB3' ' HD2' ' A' ' 38' ' ' PRO . 0.3 OUTLIER -123.51 168.61 12.0 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 109.089 -179.911 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.426 ' HD2' ' HB3' ' A' ' 37' ' ' LEU . 22.9 Cg_endo . . . . . 0 C--N 1.359 1.111 0 O-C-N 124.458 1.767 . . . . 0.0 111.566 -179.493 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 81.2 m-85 . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 113.359 0.874 . . . . 0.0 113.359 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.4 p-10 -89.18 -9.71 49.85 Favored 'General case' 0 C--N 1.323 -0.56 0 O-C-N 124.572 1.17 . . . . 0.0 111.909 179.676 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.514 ' HD3' ' CE2' ' A' ' 35' ' ' TYR . 6.5 ttm180 -110.32 125.41 53.14 Favored 'General case' 0 C--N 1.321 -0.634 0 O-C-N 124.058 0.849 . . . . 0.0 109.84 -179.276 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 1.002 HG22 HG22 ' A' ' 69' ' ' VAL . 40.1 t -101.32 143.93 13.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.473 1.108 . . . . 0.0 109.544 179.95 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 3.2 mtt180 -118.18 97.04 5.59 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.386 1.054 . . . . 0.0 109.677 179.696 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.466 HG13 ' HB3' ' A' ' 67' ' ' PRO . 15.8 t -91.72 140.59 15.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.753 1.283 . . . . 0.0 109.358 -179.864 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.409 ' HB2' ' HB2' ' A' ' 65' ' ' HIS . 21.6 m-30 -117.86 139.04 51.66 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.604 1.19 . . . . 0.0 110.763 179.745 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 18.6 p90 -148.33 166.07 29.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 110.642 -179.769 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.404 ' HA ' ' HD3' ' A' ' 58' ' ' PRO . 3.9 t-20 -101.92 126.5 33.63 Favored Pre-proline 0 C--N 1.324 -0.503 0 CA-C-N 114.91 -1.041 . . . . 0.0 108.758 179.891 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 57' ' ' ASN . 4.1 Cg_exo -65.11 -15.6 51.1 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.563 1.823 . . . . 0.0 111.865 -179.596 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -51.36 -56.91 12.95 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.285 0.991 . . . . 0.0 111.624 -179.786 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.403 HG23 ' CG2' ' A' ' 62' ' ' VAL . 9.3 t -134.27 25.45 3.84 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.533 0.784 . . . . 0.0 110.245 -179.694 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 46.58 43.35 12.35 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 115.375 -0.83 . . . . 0.0 111.27 179.633 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.403 ' CG2' HG23 ' A' ' 60' ' ' THR . 7.1 t -110.53 143.67 20.06 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.356 0 CA-C-N 114.802 -1.09 . . . . 0.0 110.523 179.965 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 94.2 t -85.38 142.63 12.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 114.748 -1.114 . . . . 0.0 109.638 179.935 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -143.57 25.36 1.67 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.134 . . . . 0.0 110.042 -179.984 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 65' ' ' HIS . . . . . 0.409 ' HB2' ' HB2' ' A' ' 55' ' ' PHE . 97.8 m-70 -148.31 124.58 10.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.371 1.044 . . . . 0.0 109.506 179.755 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.764 HG22 HG21 ' A' ' 14' ' ' VAL . 60.3 t -56.46 110.72 2.55 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.514 1.134 . . . . 0.0 109.912 -179.928 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.466 ' HB3' HG13 ' A' ' 54' ' ' VAL . 41.1 Cg_endo -82.47 86.28 1.53 Allowed 'Trans proline' 0 C--N 1.358 1.069 0 O-C-N 124.455 1.766 . . . . 0.0 110.681 179.439 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -90.23 162.26 15.31 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.305 1.003 . . . . 0.0 109.973 -179.838 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 1.002 HG22 HG22 ' A' ' 52' ' ' VAL . 1.5 t . . . . . 0 C--N 1.326 -0.445 0 O-C-N 124.518 1.136 . . . . 0.0 109.384 179.957 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 94.9 p . . . . . 0 N--CA 1.453 -0.276 0 CA-C-O 120.613 0.244 . . . . 0.0 110.363 . . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -123.0 99.74 40.76 Favored Pre-proline 0 C--N 1.327 -0.411 0 O-C-N 124.382 1.052 . . . . 0.0 110.934 179.636 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_endo -76.97 1.22 8.88 Favored 'Trans proline' 0 C--N 1.364 1.358 0 O-C-N 124.143 1.602 . . . . 0.0 112.863 -179.599 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -71.2 -22.08 62.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.094 0.871 . . . . 0.0 110.926 -179.749 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.441 HG21 ' HB2' ' A' ' 21' ' ' ALA . 10.8 p -106.64 42.79 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.441 1.088 . . . . 0.0 110.052 -179.666 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.459 HG21 HG22 ' A' ' 66' ' ' VAL . 5.0 t -106.03 113.16 42.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 109.101 179.603 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 116.4 -19.2 13.14 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.467 1.104 . . . . 0.0 111.151 -179.393 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.467 ' O ' HG13 ' A' ' 62' ' ' VAL . 0.7 OUTLIER -73.68 -158.83 0.06 Allowed 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 179.903 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -131.62 165.95 22.52 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.458 1.099 . . . . 0.0 109.775 179.945 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.432 HG22 ' CD1' ' A' ' 36' ' ' PHE . 35.8 t -47.48 -48.29 10.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 123.974 0.796 . . . . 0.0 112.522 -179.443 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -54.44 -41.72 69.73 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 113.015 0.746 . . . . 0.0 113.015 -178.444 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 26.3 mm-40 -63.74 -51.32 65.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.152 0.908 . . . . 0.0 110.346 -179.44 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.441 ' HB2' HG21 ' A' ' 13' ' ' VAL . . . -68.67 -4.36 15.35 Favored 'General case' 0 N--CA 1.453 -0.306 0 O-C-N 124.685 1.24 . . . . 0.0 113.302 -179.34 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.425 HH11 ' HD2' ' A' ' 22' ' ' ARG . 5.6 tpp85 -83.1 -46.49 12.72 Favored 'General case' 0 C--N 1.321 -0.631 0 O-C-N 124.782 1.301 . . . . 0.0 109.426 179.82 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -75.08 -30.81 61.04 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 114.811 -1.086 . . . . 0.0 111.228 -179.73 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 18.0 t80 -67.94 -48.72 65.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.313 1.008 . . . . 0.0 111.977 -179.545 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 18.4 m-85 -73.04 -18.3 61.34 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.564 1.165 . . . . 0.0 111.641 -179.596 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.4 m -74.23 -34.48 63.68 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.211 0.945 . . . . 0.0 110.995 179.809 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 16.5 mt -86.9 -44.93 11.29 Favored 'General case' 0 N--CA 1.448 -0.535 0 N-CA-C 114.516 1.302 . . . . 0.0 114.516 -178.051 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -80.93 -42.39 21.41 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.083 0.864 . . . . 0.0 112.329 -178.722 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 47.4 m-85 -120.45 75.29 24.6 Favored Pre-proline 0 C--N 1.323 -0.561 0 N-CA-C 114.278 1.214 . . . . 0.0 114.278 -178.883 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_endo -81.4 11.29 3.11 Favored 'Trans proline' 0 C--N 1.358 1.064 0 O-C-N 123.792 1.417 . . . . 0.0 112.734 179.561 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -127.85 22.49 6.28 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.311 1.007 . . . . 0.0 110.692 -179.552 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.411 ' CD1' HG23 ' A' ' 52' ' ' VAL 0.253 4.0 m-85 -125.25 128.73 48.75 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.036 -0.984 . . . . 0.0 110.56 -179.392 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -90.4 98.94 12.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.296 0.997 . . . . 0.0 108.358 178.533 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 4.2 t -85.02 151.1 3.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 O-C-N 124.539 1.15 . . . . 0.0 111.196 -179.084 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -131.0 147.74 52.67 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 114.896 -1.047 . . . . 0.0 110.726 179.352 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.432 ' CD1' HG22 ' A' ' 18' ' ' VAL . 16.2 m-85 -129.2 121.58 27.96 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.588 1.18 . . . . 0.0 110.927 -179.957 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -146.05 170.51 7.81 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.264 0.977 . . . . 0.0 109.076 179.916 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 20.3 Cg_endo . . . . . 0 C--N 1.36 1.162 0 O-C-N 124.534 1.808 . . . . 0.0 110.804 179.834 . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 15.1 m-30 . . . . . 0 CA--C 1.534 0.339 0 CA-C-O 120.476 0.179 . . . . 0.0 110.619 . . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -92.0 -26.73 18.23 Favored 'General case' 0 C--O 1.238 0.454 0 O-C-N 124.605 1.191 . . . . 0.0 113.864 -178.54 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.411 ' HD3' ' NH1' ' A' ' 53' ' ' ARG . 7.1 ttm180 -101.51 130.53 47.79 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 123.801 0.688 . . . . 0.0 110.809 -179.246 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 1.04 ' CG2' HG22 ' A' ' 69' ' ' VAL . 37.7 t -116.55 146.77 20.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.562 1.164 . . . . 0.0 108.906 179.443 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.411 ' NH1' ' HD3' ' A' ' 51' ' ' ARG . 3.0 mtt85 -117.23 138.96 51.37 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.63 1.206 . . . . 0.0 110.018 -179.975 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.467 HG13 ' HB3' ' A' ' 67' ' ' PRO . 40.9 t -128.37 151.32 35.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.617 1.198 . . . . 0.0 109.12 -179.896 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.443 ' O ' HG13 ' A' ' 63' ' ' VAL . 20.4 m-85 -123.89 138.36 54.5 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.638 1.211 . . . . 0.0 110.869 179.763 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 3.2 p90 -143.4 164.23 30.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.619 1.199 . . . . 0.0 110.876 179.64 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -86.82 112.78 49.51 Favored Pre-proline 0 C--N 1.323 -0.55 0 N-CA-C 107.808 -1.182 . . . . 0.0 107.808 179.287 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 8.5 Cg_endo -54.16 -15.1 7.32 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.342 1.706 . . . . 0.0 113.652 -178.763 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -75.68 -71.12 1.19 Allowed Glycine 0 CA--C 1.527 0.806 0 N-CA-C 115.948 1.139 . . . . 0.0 115.948 -178.549 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.418 HG23 ' CG2' ' A' ' 62' ' ' VAL . 13.9 t -101.04 16.53 25.07 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 112.224 0.453 . . . . 0.0 112.224 -178.66 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 50.88 46.37 26.26 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 115.421 -0.809 . . . . 0.0 111.399 178.815 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.467 HG13 ' O ' ' A' ' 16' ' ' LYS . 40.2 t -118.34 134.84 60.67 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.459 0 O-C-N 124.281 0.988 . . . . 0.0 112.043 -179.982 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.443 HG13 ' O ' ' A' ' 55' ' ' PHE . 9.4 t -75.9 113.13 14.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 114.726 -1.125 . . . . 0.0 109.053 179.087 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 20.8 p30 -106.22 -18.18 14.08 Favored 'General case' 0 N--CA 1.449 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 111.682 -179.324 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 65' ' ' HIS . . . . . 0.432 ' HB2' ' HB2' ' A' ' 55' ' ' PHE . 3.9 m-70 -110.44 147.48 33.96 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.131 0.894 . . . . 0.0 110.753 -179.67 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.459 HG22 HG21 ' A' ' 14' ' ' VAL . 3.4 t -73.2 117.31 59.09 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.361 1.038 . . . . 0.0 109.069 179.72 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.467 ' HB3' HG13 ' A' ' 54' ' ' VAL . 21.8 Cg_endo -69.8 151.73 68.92 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.536 1.808 . . . . 0.0 110.788 -179.724 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.447 ' O ' HG13 ' A' ' 52' ' ' VAL . 1.7 p-80 -144.03 163.31 33.87 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.614 1.196 . . . . 0.0 109.753 -179.819 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 1.04 HG22 ' CG2' ' A' ' 52' ' ' VAL . 17.5 t . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.569 1.168 . . . . 0.0 108.967 179.423 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 29.8 p . . . . . 0 CA--C 1.53 0.173 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -134.96 45.22 2.55 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.311 1.007 . . . . 0.0 110.303 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 14.1 m-85 -120.26 -30.89 4.51 Favored 'General case' 0 N--CA 1.45 -0.428 0 O-C-N 124.574 1.171 . . . . 0.0 111.973 -179.731 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 77.82 7.98 87.32 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.356 1.035 . . . . 0.0 112.817 -179.712 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.2 t 52.36 -106.85 0.3 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.156 0.563 . . . . 0.0 110.517 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -156.23 153.35 29.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 123.787 0.679 . . . . 0.0 110.703 -179.732 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER 61.96 95.41 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.425 1.078 . . . . 0.0 111.22 179.088 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 12.2 mttt -72.33 105.1 3.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.365 1.041 . . . . 0.0 108.936 179.548 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.9 p -89.6 161.48 16.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 110.382 -179.727 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.427 ' HB3' ' HB ' ' A' ' 13' ' ' VAL . 9.6 m-85 -128.54 86.37 57.89 Favored Pre-proline 0 N--CA 1.451 -0.411 0 O-C-N 124.398 1.061 . . . . 0.0 111.53 179.777 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 4.4 Cg_exo -61.81 -56.79 0.67 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.391 1.732 . . . . 0.0 111.579 -179.34 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.9 tm-20 -51.47 -22.15 2.89 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.106 -0.952 . . . . 0.0 111.108 -179.646 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.427 ' HB ' ' HB3' ' A' ' 10' ' ' PHE . 6.1 t -98.32 49.32 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.094 . . . . 0.0 110.067 -179.808 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.584 HG21 HG22 ' A' ' 66' ' ' VAL . 46.9 t -134.47 110.76 13.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.422 1.076 . . . . 0.0 109.73 179.786 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 125.52 -19.69 6.64 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.444 1.09 . . . . 0.0 111.801 179.753 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 8.2 mttt -78.37 161.39 27.2 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.492 0.76 . . . . 0.0 109.226 -179.169 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.666 HG22 HG22 ' A' ' 62' ' ' VAL . 29.4 p -89.56 163.36 15.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 123.988 0.805 . . . . 0.0 110.782 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 12.9 t -48.1 -57.97 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 O-C-N 124.293 0.995 . . . . 0.0 111.918 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -54.81 -37.75 66.51 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.233 -0.894 . . . . 0.0 111.174 -178.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 7.3 mm100 -62.7 -54.56 37.48 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.543 1.152 . . . . 0.0 109.842 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.09 -0.41 13.94 Favored 'General case' 0 C--N 1.328 -0.358 0 O-C-N 124.753 1.283 . . . . 0.0 113.018 -179.687 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.1 ttm180 -81.63 -47.67 12.72 Favored 'General case' 0 C--N 1.322 -0.624 0 O-C-N 124.558 1.161 . . . . 0.0 109.737 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -76.65 -24.62 53.27 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 114.786 -1.097 . . . . 0.0 110.145 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 27.1 t80 -65.52 -49.9 67.25 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.429 1.08 . . . . 0.0 111.506 -179.628 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.612 ' CD2' HG21 ' A' ' 34' ' ' VAL . 3.4 m-85 -72.45 -23.79 61.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 111.05 -179.821 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 22.0 m -75.19 -31.75 61.04 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.228 0.955 . . . . 0.0 111.685 -179.706 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 17.0 mt -87.86 -45.08 10.59 Favored 'General case' 0 N--CA 1.45 -0.438 0 N-CA-C 113.841 1.052 . . . . 0.0 113.841 -178.224 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 29.8 m170 -84.58 -42.81 15.08 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.103 0.877 . . . . 0.0 113.267 -178.208 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 37.9 m-85 -121.48 73.51 30.58 Favored Pre-proline 0 C--N 1.323 -0.566 0 N-CA-C 114.878 1.436 . . . . 0.0 114.878 -178.374 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 6.6 Cg_endo -72.63 0.86 6.97 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 123.714 1.376 . . . . 0.0 113.343 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -116.09 21.21 13.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.296 0.997 . . . . 0.0 110.741 179.626 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . 0.26 1.8 m-85 -124.44 118.27 26.28 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.035 -0.984 . . . . 0.0 109.959 179.848 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -85.3 90.63 7.96 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.378 1.049 . . . . 0.0 108.328 178.164 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.615 HG22 ' HB ' ' A' ' 52' ' ' VAL . 2.6 t -85.68 150.79 3.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 114.62 -1.173 . . . . 0.0 110.161 -179.302 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 54.3 m-85 -127.05 154.11 45.09 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.265 0.978 . . . . 0.0 110.733 179.308 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.482 ' O ' HD23 ' A' ' 37' ' ' LEU . 41.9 m-85 -140.25 97.34 3.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.105 . . . . 0.0 111.143 -179.699 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.674 HD12 ' NH2' ' A' ' 53' ' ' ARG . 54.8 mt -133.29 161.0 66.42 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.418 1.074 . . . . 0.0 109.184 179.802 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.412 ' HD2' ' HB3' ' A' ' 37' ' ' LEU . 3.1 Cg_exo -63.4 157.3 51.23 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.613 1.849 . . . . 0.0 110.82 -179.485 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.51 ' HB3' ' CE1' ' A' ' 65' ' ' HIS . 6.8 pt-20 -59.98 158.15 11.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 110.649 -179.877 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 69.35 3.54 39.56 Favored Glycine 0 CA--C 1.528 0.903 0 O-C-N 124.414 1.072 . . . . 0.0 113.21 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.451 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 0.5 OUTLIER -87.79 -51.59 0.41 Allowed Pre-proline 0 C--O 1.236 0.351 0 O-C-N 124.244 0.614 . . . . 0.0 112.323 178.397 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.507 ' HG2' ' CE1' ' A' ' 55' ' ' PHE . 14.0 Cg_endo -74.33 157.24 45.73 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 123.965 1.508 . . . . 0.0 111.426 -179.497 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.543 HG13 ' N ' ' A' ' 44' ' ' THR . 1.0 OUTLIER -114.79 -158.37 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.436 1.085 . . . . 0.0 109.092 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.543 ' N ' HG13 ' A' ' 43' ' ' VAL . 2.1 p -79.65 97.11 6.41 Favored 'General case' 0 N--CA 1.45 -0.446 0 O-C-N 125.233 1.583 . . . . 0.0 110.577 178.684 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.572 HD13 ' NH1' ' A' ' 51' ' ' ARG . 11.8 mt -123.63 77.77 1.54 Allowed 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 108.609 -0.886 . . . . 0.0 108.609 179.704 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -93.11 -174.18 3.48 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 114.477 -1.238 . . . . 0.0 110.915 -178.589 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 55.32 49.25 17.44 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.075 -0.966 . . . . 0.0 111.513 178.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.402 ' HA ' ' HD3' ' A' ' 48' ' ' ARG . 18.8 mmt-85 -133.84 105.17 6.64 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 114.875 -1.057 . . . . 0.0 108.925 179.12 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 12.9 m-30 -82.45 -30.71 29.84 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.823 1.327 . . . . 0.0 111.948 -179.173 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 10.6 p30 -101.54 -12.76 18.25 Favored 'General case' 0 N--CA 1.447 -0.592 0 N-CA-C 115.047 1.499 . . . . 0.0 115.047 -177.809 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.572 ' NH1' HD13 ' A' ' 45' ' ' LEU . 3.1 ttm180 -106.86 120.32 41.71 Favored 'General case' 0 C--N 1.323 -0.583 0 O-C-N 123.843 0.715 . . . . 0.0 111.985 -178.914 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.615 ' HB ' HG22 ' A' ' 34' ' ' VAL . 0.5 OUTLIER -113.36 137.81 45.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.266 0.979 . . . . 0.0 108.755 179.086 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.674 ' NH2' HD12 ' A' ' 37' ' ' LEU . 0.3 OUTLIER -115.94 106.19 13.51 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.682 1.239 . . . . 0.0 109.719 179.748 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 1.02 HG13 ' HB3' ' A' ' 67' ' ' PRO . 9.5 t -97.76 151.17 4.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.495 1.122 . . . . 0.0 109.578 -179.757 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.507 ' CE1' ' HG2' ' A' ' 42' ' ' PRO . 5.5 m-85 -123.36 137.69 54.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.632 1.207 . . . . 0.0 110.522 179.513 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 16.0 p90 -132.65 166.2 22.71 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.664 1.228 . . . . 0.0 110.496 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 46.0 t30 -98.51 130.41 28.14 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 0.0 110.042 -179.403 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -76.01 4.09 5.56 Favored 'Trans proline' 0 C--N 1.362 1.241 0 O-C-N 124.492 1.785 . . . . 0.0 112.689 179.531 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -77.67 -59.85 2.93 Favored Glycine 0 CA--C 1.532 1.118 0 N-CA-C 110.727 -0.949 . . . . 0.0 110.727 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.41 HG23 HG23 ' A' ' 62' ' ' VAL . 11.1 t -126.42 22.34 7.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.58 0.812 . . . . 0.0 110.672 179.809 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 8.0 m-20 50.99 37.88 18.9 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 115.116 -0.947 . . . . 0.0 111.924 178.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.666 HG22 HG22 ' A' ' 17' ' ' THR . 25.1 t -109.78 146.2 15.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.287 0.992 . . . . 0.0 109.529 179.425 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.486 HG13 ' O ' ' A' ' 55' ' ' PHE . 48.8 t -88.27 107.15 17.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 114.783 -1.099 . . . . 0.0 109.195 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 20.7 p30 -102.6 -19.65 14.75 Favored 'General case' 0 N--CA 1.452 -0.361 0 O-C-N 124.456 1.098 . . . . 0.0 110.823 -179.753 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.51 ' CE1' ' HB3' ' A' ' 39' ' ' GLU . 12.0 m80 -93.9 132.7 38.08 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.192 0.933 . . . . 0.0 109.597 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.584 HG22 HG21 ' A' ' 14' ' ' VAL . 40.5 t -66.63 115.11 21.12 Favored Pre-proline 0 C--N 1.323 -0.561 0 O-C-N 124.661 1.226 . . . . 0.0 109.071 179.751 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 1.02 ' HB3' HG13 ' A' ' 54' ' ' VAL . 18.7 Cg_endo -73.92 135.89 21.98 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.479 1.778 . . . . 0.0 111.051 -179.607 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 9.1 p80 -139.96 160.98 38.7 Favored 'General case' 0 C--N 1.327 -0.377 0 O-C-N 124.53 1.144 . . . . 0.0 110.05 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.534 HG13 HG22 ' A' ' 52' ' ' VAL . 1.2 t -87.84 141.47 14.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.797 1.31 . . . . 0.0 108.821 179.288 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.092 0 O-C-N 124.356 1.035 . . . . 0.0 110.982 -179.801 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 39.4 p . . . . . 0 CA--C 1.53 0.177 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -114.96 24.33 11.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.306 1.003 . . . . 0.0 110.193 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -136.04 38.7 2.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 110.651 179.745 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -92.21 10.14 74.9 Favored Glycine 0 CA--C 1.529 0.933 0 CA-C-N 114.777 -1.101 . . . . 0.0 112.816 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.8 t -50.9 159.96 0.51 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.366 0.686 . . . . 0.0 110.43 -179.544 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 71.11 149.3 0.09 Allowed 'General case' 0 CA--C 1.536 0.419 0 O-C-N 124.536 1.147 . . . . 0.0 109.765 -179.394 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.699 HD22 ' H ' ' A' ' 7' ' ' LEU . 1.0 OUTLIER -65.03 -172.42 0.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.615 1.197 . . . . 0.0 109.267 -179.85 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.0 mptp? -59.0 120.43 9.09 Favored 'General case' 0 C--N 1.327 -0.394 0 O-C-N 124.501 1.126 . . . . 0.0 108.875 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 68.0 p -141.38 154.41 45.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.745 1.278 . . . . 0.0 110.268 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.446 ' CD1' ' N ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -129.28 100.88 19.68 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 110.85 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 13.3 Cg_endo -71.23 -9.85 26.17 Favored 'Trans proline' 0 C--N 1.363 1.294 0 O-C-N 124.277 1.672 . . . . 0.0 112.588 -179.194 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -71.64 -5.33 32.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.133 0.896 . . . . 0.0 112.415 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -118.95 35.66 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.051 0.844 . . . . 0.0 109.61 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.517 HG21 HG22 ' A' ' 66' ' ' VAL . 37.7 t -102.43 126.49 56.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.46 1.1 . . . . 0.0 109.327 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 105.2 -20.77 37.12 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.454 1.096 . . . . 0.0 110.957 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 23.0 mttm -78.97 161.09 26.89 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 -179.409 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.66 HG22 HG22 ' A' ' 62' ' ' VAL . 49.9 p -90.04 168.62 11.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.054 0.846 . . . . 0.0 110.21 179.829 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.751 HG13 ' CE2' ' A' ' 36' ' ' PHE . 42.3 t -48.09 -60.79 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.562 1.164 . . . . 0.0 111.781 -179.823 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -50.27 -36.92 33.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.213 0.946 . . . . 0.0 111.223 -179.11 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 17.2 mm-40 -65.02 -50.49 66.05 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.518 1.136 . . . . 0.0 110.155 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.77 -3.03 16.69 Favored 'General case' 0 C--N 1.328 -0.335 0 O-C-N 124.668 1.23 . . . . 0.0 112.944 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 18.1 tpp85 -82.88 -45.87 13.69 Favored 'General case' 0 C--N 1.321 -0.634 0 O-C-N 124.624 1.202 . . . . 0.0 109.612 179.796 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.8 mp0 -73.22 -31.99 64.5 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 114.794 -1.094 . . . . 0.0 111.228 -179.798 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 13.9 t80 -64.25 -49.69 70.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.443 1.089 . . . . 0.0 110.873 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 -73.83 -16.82 61.13 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.464 1.102 . . . . 0.0 111.652 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.3 m -76.59 -37.26 56.79 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.151 0.907 . . . . 0.0 111.292 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 10.9 mt -83.49 -44.62 14.51 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 113.663 0.986 . . . . 0.0 113.663 -178.469 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 24.5 m170 -81.34 -44.37 17.71 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.243 0.964 . . . . 0.0 112.226 -178.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 39.3 m-85 -124.36 64.75 38.85 Favored Pre-proline 0 C--O 1.241 0.648 0 N-CA-C 114.674 1.361 . . . . 0.0 114.674 -178.44 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 10.9 Cg_endo -71.18 -1.15 9.14 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 123.524 1.276 . . . . 0.0 113.171 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -107.23 18.05 22.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.275 0.985 . . . . 0.0 111.299 179.856 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . 0.256 1.1 m-30 -123.99 133.63 53.64 Favored 'General case' 0 C--N 1.323 -0.57 0 O-C-N 124.231 0.957 . . . . 0.0 109.574 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -91.07 107.53 19.27 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.4 1.063 . . . . 0.0 108.765 179.281 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.573 HG22 ' HB ' ' A' ' 52' ' ' VAL . 3.7 t -85.95 150.3 3.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.394 1.059 . . . . 0.0 110.687 -179.322 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 33.4 m-85 -146.23 132.44 19.43 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 114.761 -1.109 . . . . 0.0 110.516 179.519 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.751 ' CE2' HG13 ' A' ' 18' ' ' VAL . 50.2 m-85 -106.66 141.01 38.62 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.461 1.101 . . . . 0.0 111.564 -179.694 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 96.9 mt -143.56 159.96 52.7 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.489 1.118 . . . . 0.0 109.038 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_endo -81.6 147.92 15.82 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.402 1.738 . . . . 0.0 111.589 -179.482 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.407 ' HG2' ' N ' ' A' ' 40' ' ' GLY . 77.2 tt0 -53.32 164.66 0.44 Allowed 'General case' 0 C--O 1.236 0.349 0 O-C-N 124.476 1.11 . . . . 0.0 109.599 179.438 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.407 ' N ' ' HG2' ' A' ' 39' ' ' GLU . . . 92.48 25.75 20.04 Favored Glycine 0 CA--C 1.527 0.819 0 N-CA-C 116.57 1.388 . . . . 0.0 116.57 178.682 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.442 ' HB2' ' HD2' ' A' ' 42' ' ' PRO . 1.0 OUTLIER -85.2 161.96 50.49 Favored Pre-proline 0 C--N 1.325 -0.469 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 177.992 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.442 ' HD2' ' HB2' ' A' ' 41' ' ' SER . 9.5 Cg_endo -54.06 -90.05 0.0 OUTLIER 'Trans proline' 0 C--N 1.358 1.069 0 O-C-N 124.307 1.688 . . . . 0.0 113.278 -178.928 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.465 HG13 HD21 ' A' ' 45' ' ' LEU . 0.1 OUTLIER -141.34 167.9 16.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.242 0.964 . . . . 0.0 109.134 -178.881 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . 0.258 6.3 p -72.94 91.77 1.57 Allowed 'General case' 0 N--CA 1.454 -0.27 0 O-C-N 125.006 1.441 . . . . 0.0 110.211 178.064 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.465 HD21 HG13 ' A' ' 43' ' ' VAL . 27.1 mt -100.54 90.97 4.46 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 114.98 -1.009 . . . . 0.0 109.036 -179.405 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -50.33 160.69 0.36 Allowed 'General case' 0 N--CA 1.447 -0.624 0 O-C-N 124.84 1.338 . . . . 0.0 111.08 -179.579 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.478 HD22 ' HD2' ' A' ' 48' ' ' ARG . 0.0 OUTLIER -171.54 -80.0 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.377 0 O-C-N 124.403 1.064 . . . . 0.0 109.501 -179.808 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.478 ' HD2' HD22 ' A' ' 47' ' ' LEU . 3.8 mmm180 -84.03 120.01 25.63 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.242 0.964 . . . . 0.0 109.847 178.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 74.0 m-85 -77.02 -30.32 55.71 Favored 'General case' 0 C--N 1.329 -0.324 0 O-C-N 123.969 0.793 . . . . 0.0 112.024 -179.02 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.7 p-10 -90.95 -9.37 46.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 111.867 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.467 ' HB2' ' CB ' ' A' ' 48' ' ' ARG . 4.4 ttp180 -94.38 121.03 35.49 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 123.885 0.74 . . . . 0.0 109.991 -179.306 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.573 ' HB ' HG22 ' A' ' 34' ' ' VAL . 2.7 t -94.98 142.96 12.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.417 1.073 . . . . 0.0 109.393 179.73 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 27.4 mtt180 -120.1 129.82 54.36 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.491 1.12 . . . . 0.0 109.523 179.65 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.643 HG13 ' HB3' ' A' ' 67' ' ' PRO . 39.6 t -128.22 154.12 38.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.658 1.224 . . . . 0.0 110.111 -179.547 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.491 ' O ' HG13 ' A' ' 63' ' ' VAL . 15.4 m-85 -120.72 139.77 52.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 110.376 179.395 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 16.9 p90 -145.21 171.16 14.94 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.727 1.267 . . . . 0.0 110.645 -179.624 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -92.21 116.5 66.59 Favored Pre-proline 0 C--N 1.323 -0.554 0 CA-C-N 114.933 -1.03 . . . . 0.0 108.653 -179.772 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 11.5 Cg_endo -61.0 -6.36 6.11 Favored 'Trans proline' 0 C--N 1.362 1.254 0 O-C-N 124.074 1.565 . . . . 0.0 114.684 -178.884 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -93.65 -85.31 1.6 Allowed Glycine 0 CA--C 1.528 0.86 0 O-C-N 123.771 0.67 . . . . 0.0 114.288 -178.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 8.5 t -67.62 -21.09 65.41 Favored 'General case' 0 C--N 1.327 -0.376 0 O-C-N 124.049 0.499 . . . . 0.0 111.465 -179.423 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 8.9 m-20 74.62 69.2 0.09 Allowed 'General case' 0 N--CA 1.45 -0.456 0 O-C-N 124.416 1.072 . . . . 0.0 109.88 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.66 HG22 HG22 ' A' ' 17' ' ' THR . 73.5 t -145.06 146.61 19.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 O-C-N 124.335 1.022 . . . . 0.0 109.076 179.694 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.491 HG13 ' O ' ' A' ' 55' ' ' PHE . 58.6 t -87.58 128.5 40.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.505 1.128 . . . . 0.0 108.838 179.349 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 3.3 p30 -130.92 23.81 4.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.897 1.373 . . . . 0.0 110.156 -179.764 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.415 ' HB2' ' HB2' ' A' ' 55' ' ' PHE . 53.6 m-70 -145.78 124.63 12.67 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.45 1.094 . . . . 0.0 109.396 179.734 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.517 HG22 HG21 ' A' ' 14' ' ' VAL . 15.0 t -56.72 112.32 4.37 Favored Pre-proline 0 C--N 1.324 -0.534 0 O-C-N 124.712 1.257 . . . . 0.0 108.736 179.401 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.643 ' HB3' HG13 ' A' ' 54' ' ' VAL . 18.7 Cg_endo -70.46 154.47 64.96 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.562 1.822 . . . . 0.0 111.47 -179.186 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 3.3 p-80 -149.58 163.06 38.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.416 1.072 . . . . 0.0 109.749 -179.591 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.524 HG13 HG22 ' A' ' 52' ' ' VAL . 0.6 OUTLIER -86.56 146.77 5.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.365 179.786 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.034 0 O-C-N 124.408 1.067 . . . . 0.0 110.938 179.992 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 35.0 p . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 110.432 -0.21 . . . . 0.0 110.432 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -133.89 160.26 38.22 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 0.0 110.258 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 56.06 -170.85 0.08 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 110.97 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 69.2 4.38 42.97 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.554 1.159 . . . . 0.0 112.831 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.483 ' OG ' HD23 ' A' ' 7' ' ' LEU . 4.7 t -158.78 138.6 11.95 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 124.222 0.601 . . . . 0.0 110.022 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.473 ' C ' HD22 ' A' ' 7' ' ' LEU . 58.3 mt-10 -96.93 50.35 1.1 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 110.249 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.483 HD23 ' OG ' ' A' ' 5' ' ' SER . 4.4 mm? -114.7 71.2 0.75 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 109.238 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.417 ' HB2' ' HB ' ' A' ' 69' ' ' VAL . 9.2 mmtt -53.14 111.34 0.67 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 109.778 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -148.3 138.64 22.7 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.466 1.103 . . . . 0.0 109.8 179.842 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -128.0 102.5 21.79 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.425 1.078 . . . . 0.0 111.084 -179.683 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_endo -78.35 7.38 4.15 Favored 'Trans proline' 0 C--N 1.361 1.235 0 O-C-N 124.199 1.631 . . . . 0.0 112.816 -179.617 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 43.0 tp10 -75.44 -23.23 56.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.036 0.835 . . . . 0.0 112.056 -179.109 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.697 HG23 ' HD2' ' A' ' 16' ' ' LYS . 7.6 p -84.58 -12.61 11.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.201 0.938 . . . . 0.0 111.439 -179.563 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.552 HG21 HG22 ' A' ' 66' ' ' VAL . 37.7 t -68.15 93.54 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 123.821 0.701 . . . . 0.0 109.403 179.728 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 140.61 -35.71 1.84 Allowed Glycine 0 CA--C 1.528 0.88 0 O-C-N 124.31 1.007 . . . . 0.0 112.34 179.744 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.697 ' HD2' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -74.4 -163.98 0.23 Allowed 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 -179.329 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.411 ' N ' ' HG3' ' A' ' 16' ' ' LYS . 0.1 OUTLIER -128.32 167.85 16.36 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.225 0.953 . . . . 0.0 109.635 -179.494 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.672 HG22 ' CD1' ' A' ' 36' ' ' PHE . 12.5 t -47.79 -52.21 6.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 123.73 0.644 . . . . 0.0 112.473 -179.542 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -48.75 -42.98 37.23 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.031 0.832 . . . . 0.0 111.545 -178.634 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.432 ' HB3' ' HD3' ' A' ' 16' ' ' LYS . 8.7 mm100 -66.45 -45.53 79.48 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.308 1.005 . . . . 0.0 109.75 179.78 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.14 -6.15 32.1 Favored 'General case' 0 N--CA 1.452 -0.34 0 O-C-N 124.835 1.334 . . . . 0.0 113.172 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.58 -47.29 12.28 Favored 'General case' 0 C--N 1.319 -0.753 0 O-C-N 124.93 1.394 . . . . 0.0 109.162 179.58 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -75.03 -24.7 58.36 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 114.675 -1.148 . . . . 0.0 110.248 179.751 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -73.7 -48.42 32.27 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.358 1.036 . . . . 0.0 111.552 -179.711 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -76.87 -23.89 52.61 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.341 1.025 . . . . 0.0 112.303 -179.19 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 3.3 m -77.72 -34.91 52.47 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.221 0.95 . . . . 0.0 112.091 -179.392 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 19.3 mt -82.77 -47.45 11.93 Favored 'General case' 0 N--CA 1.45 -0.427 0 N-CA-C 113.737 1.014 . . . . 0.0 113.737 -178.404 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.516 ' HB2' ' CD1' ' A' ' 29' ' ' TYR . 26.8 m80 -87.08 -33.76 19.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.054 0.846 . . . . 0.0 112.887 -178.026 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.516 ' CD1' ' HB2' ' A' ' 28' ' ' HIS . 36.0 m-85 -123.84 62.61 26.92 Favored Pre-proline 0 C--N 1.323 -0.566 0 N-CA-C 115.719 1.748 . . . . 0.0 115.719 -177.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -73.94 2.05 6.43 Favored 'Trans proline' 0 C--N 1.358 1.078 0 O-C-N 123.68 1.358 . . . . 0.0 113.075 179.192 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -111.39 13.23 21.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.23 0.956 . . . . 0.0 111.681 179.692 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . 0.261 0.3 OUTLIER -126.81 122.58 35.15 Favored 'General case' 0 C--N 1.322 -0.612 0 O-C-N 124.129 0.893 . . . . 0.0 109.208 179.956 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -86.87 103.88 15.69 Favored 'General case' 0 C--N 1.323 -0.566 0 O-C-N 124.451 1.094 . . . . 0.0 108.765 178.768 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.629 HG22 ' HB ' ' A' ' 52' ' ' VAL . 2.7 t -85.39 151.53 3.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.361 1.038 . . . . 0.0 109.896 -179.572 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -132.4 113.1 12.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.367 1.042 . . . . 0.0 110.713 179.502 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.672 ' CD1' HG22 ' A' ' 18' ' ' VAL . 50.0 m-85 -91.72 120.12 32.18 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.234 0.959 . . . . 0.0 111.013 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.437 ' HB3' ' HD2' ' A' ' 38' ' ' PRO . 4.4 mt -144.48 161.78 42.47 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.19 0.931 . . . . 0.0 109.172 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.437 ' HD2' ' HB3' ' A' ' 37' ' ' LEU . 19.1 Cg_endo -75.05 154.72 42.46 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.554 1.818 . . . . 0.0 110.548 179.345 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.49 ' HA ' ' CD2' ' A' ' 55' ' ' PHE . 2.0 pt-20 -54.11 169.65 0.16 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.52 1.138 . . . . 0.0 111.101 -179.736 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 81.13 16.69 73.85 Favored Glycine 0 CA--C 1.529 0.906 0 O-C-N 124.509 1.131 . . . . 0.0 112.878 179.292 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.477 ' CB ' ' HD2' ' A' ' 42' ' ' PRO . 0.2 OUTLIER -88.17 167.85 18.37 Favored Pre-proline 0 N--CA 1.453 -0.285 0 O-C-N 124.245 0.615 . . . . 0.0 109.687 178.037 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.477 ' HD2' ' CB ' ' A' ' 41' ' ' SER . 9.9 Cg_endo -56.56 175.38 0.28 Allowed 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.503 1.791 . . . . 0.0 110.913 -179.68 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.553 HG12 ' HG ' ' A' ' 45' ' ' LEU . 0.8 OUTLIER -94.51 -157.24 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.448 -0.548 0 O-C-N 124.327 1.017 . . . . 0.0 110.103 -179.866 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.531 ' N ' HG13 ' A' ' 43' ' ' VAL . 21.4 p -96.02 42.23 1.09 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 113.853 -1.521 . . . . 0.0 109.169 179.498 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.553 ' HG ' HG12 ' A' ' 43' ' ' VAL . 19.0 mt -48.93 -49.83 38.31 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 113.747 -1.57 . . . . 0.0 110.522 -179.812 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -75.3 -162.78 0.2 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.594 1.184 . . . . 0.0 110.156 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 14.7 tp -139.68 89.44 2.32 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.29 0.994 . . . . 0.0 109.775 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.471 ' HD2' ' CZ ' ' A' ' 51' ' ' ARG . 6.1 mmt-85 -127.81 88.16 2.73 Favored 'General case' 0 C--N 1.322 -0.591 0 O-C-N 124.538 1.149 . . . . 0.0 109.361 179.692 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 59.9 m-85 -71.22 -24.03 62.12 Favored 'General case' 0 C--N 1.328 -0.36 0 O-C-N 124.727 1.267 . . . . 0.0 110.879 -179.536 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -88.63 -10.59 48.11 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.592 1.182 . . . . 0.0 111.777 179.544 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.471 ' CZ ' ' HD2' ' A' ' 48' ' ' ARG . 2.8 ttp180 -108.9 115.4 30.0 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 123.994 0.809 . . . . 0.0 110.312 -179.851 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.629 ' HB ' HG22 ' A' ' 34' ' ' VAL . 0.3 OUTLIER -95.86 144.84 9.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 O-C-N 124.482 1.114 . . . . 0.0 109.133 179.672 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 41.1 mtt180 -116.91 97.05 5.75 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.679 1.237 . . . . 0.0 109.878 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 82.7 t -91.46 145.07 7.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.647 1.217 . . . . 0.0 109.36 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.49 ' CD2' ' HA ' ' A' ' 39' ' ' GLU . 4.8 m-85 -118.62 140.25 50.2 Favored 'General case' 0 CA--C 1.535 0.382 0 O-C-N 124.583 1.177 . . . . 0.0 110.569 179.584 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 3.4 p90 -145.83 175.9 10.07 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.436 1.085 . . . . 0.0 110.542 -179.682 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.654 ' HB3' HG22 ' A' ' 60' ' ' THR . 2.5 t-20 -82.08 137.55 46.27 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.323 1.014 . . . . 0.0 109.634 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_endo -52.13 -56.41 2.94 Favored 'Trans proline' 0 C--N 1.361 1.235 0 O-C-N 124.359 1.715 . . . . 0.0 114.284 -178.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -98.02 -44.43 2.62 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 117.302 1.681 . . . . 0.0 117.302 -177.421 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.654 HG22 ' HB3' ' A' ' 57' ' ' ASN . 0.7 OUTLIER -69.28 -31.8 70.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.046 0.498 . . . . 0.0 111.15 -178.428 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 65.9 66.04 0.51 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.24 0.963 . . . . 0.0 110.573 179.276 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.587 HG23 HG23 ' A' ' 60' ' ' THR . 97.8 t -142.27 131.93 23.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 O-C-N 124.403 1.065 . . . . 0.0 109.433 179.526 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.571 HG11 HG22 ' A' ' 13' ' ' VAL . 17.2 t -69.87 119.65 16.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 114.836 -1.074 . . . . 0.0 109.066 179.585 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.449 ' OD1' ' CE1' ' A' ' 65' ' ' HIS . 1.5 p30 -134.64 28.92 3.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.724 1.265 . . . . 0.0 109.426 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.449 ' CE1' ' OD1' ' A' ' 64' ' ' ASN . 86.4 m-70 -148.35 123.97 10.45 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 114.899 -1.046 . . . . 0.0 109.163 179.576 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.552 HG22 HG21 ' A' ' 14' ' ' VAL . 5.3 t -65.57 113.35 11.39 Favored Pre-proline 0 C--N 1.323 -0.583 0 O-C-N 124.836 1.335 . . . . 0.0 109.259 179.829 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -83.97 156.75 13.39 Favored 'Trans proline' 0 C--N 1.358 1.057 0 O-C-N 124.384 1.728 . . . . 0.0 110.906 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 6.4 p-80 -148.25 162.48 39.4 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.301 1.0 . . . . 0.0 109.732 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.417 ' HB ' ' HB2' ' A' ' 8' ' ' LYS . 2.4 t -94.07 147.97 5.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.422 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 O-C-N 124.431 1.082 . . . . 0.0 110.996 179.993 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 82.7 p . . . . . 0 C--O 1.232 0.183 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -134.56 -155.49 0.66 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.245 0.966 . . . . 0.0 110.299 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 59.94 -156.68 0.34 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.455 1.097 . . . . 0.0 111.06 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 138.7 -6.08 3.19 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.427 1.08 . . . . 0.0 113.124 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 26.6 t 63.77 167.53 0.15 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.303 0.649 . . . . 0.0 110.753 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -130.25 137.43 50.01 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 114.904 -1.044 . . . . 0.0 110.334 -179.628 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -79.3 107.94 12.44 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.505 1.128 . . . . 0.0 109.353 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 11.0 mttm -71.75 93.98 1.34 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.43 1.081 . . . . 0.0 109.723 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -148.58 134.79 19.34 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.477 1.11 . . . . 0.0 110.013 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -129.73 92.22 38.1 Favored Pre-proline 0 C--N 1.326 -0.431 0 O-C-N 124.438 1.086 . . . . 0.0 111.44 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -80.1 2.23 8.61 Favored 'Trans proline' 0 C--N 1.367 1.53 0 O-C-N 123.75 1.395 . . . . 0.0 112.618 179.699 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -74.7 -26.82 60.09 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.059 0.849 . . . . 0.0 111.032 -179.588 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.6 p -92.03 41.86 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.919 -179.637 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.7 t -102.47 131.36 50.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.397 1.061 . . . . 0.0 109.096 179.774 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 105.89 -23.89 28.19 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.51 1.131 . . . . 0.0 111.469 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 66.1 mttt -76.19 161.06 29.11 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 108.691 -0.855 . . . . 0.0 108.691 -179.668 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.695 HG22 HG22 ' A' ' 62' ' ' VAL . 71.5 p -88.23 167.34 13.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.073 0.858 . . . . 0.0 110.554 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.484 HG13 ' CD1' ' A' ' 36' ' ' PHE . 17.0 t -48.42 -58.81 0.98 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.477 0 O-C-N 124.429 1.08 . . . . 0.0 111.772 -179.857 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -53.02 -36.49 60.57 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.229 -0.896 . . . . 0.0 111.229 -179.054 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 24.9 mm-40 -64.71 -50.66 66.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.376 1.047 . . . . 0.0 110.349 -179.716 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.29 -3.45 17.25 Favored 'General case' 0 N--CA 1.452 -0.333 0 O-C-N 124.634 1.209 . . . . 0.0 112.958 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.414 ' NH1' ' HB ' ' A' ' 34' ' ' VAL . 0.4 OUTLIER -82.9 -45.56 14.05 Favored 'General case' 0 C--N 1.321 -0.645 0 O-C-N 124.608 1.193 . . . . 0.0 109.682 179.832 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -71.92 -28.38 63.44 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 114.744 -1.116 . . . . 0.0 110.973 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 10.3 t80 -69.69 -49.01 57.53 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.522 1.139 . . . . 0.0 111.033 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 15.5 m-85 -73.93 -19.39 60.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.435 1.084 . . . . 0.0 111.401 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.3 m -75.67 -36.03 60.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.291 0.994 . . . . 0.0 111.342 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 10.8 mt -84.29 -45.76 12.49 Favored 'General case' 0 N--CA 1.448 -0.53 0 N-CA-C 113.504 0.927 . . . . 0.0 113.504 -178.423 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 -87.27 -41.56 13.59 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 113.614 0.968 . . . . 0.0 113.614 -177.778 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.4 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 8.8 m-30 -118.18 51.79 1.38 Allowed Pre-proline 0 C--N 1.324 -0.525 0 N-CA-C 115.12 1.526 . . . . 0.0 115.12 -178.279 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.4 ' CD ' ' N ' ' A' ' 29' ' ' TYR . 19.5 Cg_endo -66.35 -12.7 36.74 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 123.939 1.494 . . . . 0.0 112.803 -179.332 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -90.96 14.97 12.38 Favored 'General case' 0 N--CA 1.452 -0.36 0 O-C-N 124.197 0.936 . . . . 0.0 112.445 -178.895 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.427 ' CZ ' HG11 ' A' ' 69' ' ' VAL 0.266 0.3 OUTLIER -128.75 138.77 52.29 Favored 'General case' 0 C--N 1.322 -0.61 0 O-C-N 124.199 0.937 . . . . 0.0 109.55 -179.49 . . . . . . . . 4 4 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -89.56 111.22 22.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.599 1.187 . . . . 0.0 108.256 178.624 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.42 HG22 ' HB ' ' A' ' 52' ' ' VAL . 3.7 t -85.58 152.05 3.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.633 1.208 . . . . 0.0 110.095 -179.027 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.538 ' CE2' ' CD ' ' A' ' 51' ' ' ARG . 30.0 m-85 -147.97 108.93 4.23 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.025 -0.989 . . . . 0.0 110.804 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.484 ' CD1' HG13 ' A' ' 18' ' ' VAL . 31.6 m-85 -93.01 132.53 37.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.404 1.065 . . . . 0.0 111.383 -179.744 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -145.02 168.57 11.76 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.272 0.983 . . . . 0.0 108.884 179.677 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -74.54 155.72 45.15 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.583 1.833 . . . . 0.0 110.946 179.614 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.0 140.22 45.31 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.431 1.082 . . . . 0.0 111.663 -179.647 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 65.06 13.92 58.26 Favored Glycine 0 CA--C 1.529 0.921 0 CA-C-N 115.073 -0.967 . . . . 0.0 112.621 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.469 ' HB3' ' HD3' ' A' ' 42' ' ' PRO . 3.4 t -87.52 -52.39 0.4 Allowed Pre-proline 0 N--CA 1.45 -0.428 0 O-C-N 124.514 0.773 . . . . 0.0 111.825 178.197 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.469 ' HD3' ' HB3' ' A' ' 41' ' ' SER . 29.7 Cg_endo -81.37 -160.49 0.13 Allowed 'Trans proline' 0 C--N 1.359 1.091 0 O-C-N 123.823 1.433 . . . . 0.0 110.977 -179.634 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.552 HG13 ' N ' ' A' ' 44' ' ' THR . 1.0 OUTLIER -130.79 -158.48 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.099 -0.955 . . . . 0.0 108.874 179.694 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.552 ' N ' HG13 ' A' ' 43' ' ' VAL . 5.4 p -79.75 105.23 10.89 Favored 'General case' 0 N--CA 1.452 -0.368 0 O-C-N 125.359 1.662 . . . . 0.0 110.416 178.686 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -130.64 55.95 1.8 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 123.963 0.789 . . . . 0.0 109.009 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -82.63 0.45 43.0 Favored 'General case' 0 N--CA 1.446 -0.669 0 CA-C-N 114.805 -1.089 . . . . 0.0 112.289 -179.521 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 14.3 tp -79.44 11.5 2.97 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 112.916 0.71 . . . . 0.0 112.916 -179.016 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.438 ' HB3' ' HB3' ' A' ' 51' ' ' ARG . 0.4 OUTLIER -100.28 95.05 6.52 Favored 'General case' 0 C--N 1.322 -0.619 0 O-C-N 123.776 0.673 . . . . 0.0 110.455 -179.586 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 16.4 m-30 -77.72 -27.24 50.55 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.425 1.078 . . . . 0.0 110.506 179.731 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 10.0 p30 -101.2 -3.52 28.92 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.65 1.219 . . . . 0.0 113.423 -178.174 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.538 ' CD ' ' CE2' ' A' ' 35' ' ' TYR . 1.8 ttp180 -115.79 132.14 56.73 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.238 0.961 . . . . 0.0 111.132 -178.733 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 1.098 HG22 ' CG2' ' A' ' 69' ' ' VAL . 48.3 t -105.0 117.32 50.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.624 1.203 . . . . 0.0 108.493 179.231 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.405 ' HG2' ' NH1' ' A' ' 53' ' ' ARG . 0.0 OUTLIER -100.41 129.14 46.34 Favored 'General case' 0 N--CA 1.449 -0.494 0 O-C-N 124.412 1.07 . . . . 0.0 109.953 179.715 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.701 HG13 ' HB3' ' A' ' 67' ' ' PRO . 2.9 t -123.52 149.89 27.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.438 1.086 . . . . 0.0 109.12 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 11.3 m-85 -119.64 135.35 54.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.539 1.15 . . . . 0.0 110.566 179.478 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 16.2 p90 -136.26 164.42 28.12 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.501 1.126 . . . . 0.0 111.389 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 -90.56 119.33 69.09 Favored Pre-proline 0 C--N 1.324 -0.517 0 CA-C-N 114.446 -1.252 . . . . 0.0 108.244 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -80.06 19.15 1.07 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.066 1.561 . . . . 0.0 114.637 -178.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -101.59 -55.29 0.9 Allowed Glycine 0 CA--C 1.53 1.012 0 N-CA-C 110.746 -0.942 . . . . 0.0 110.746 179.685 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.428 HG23 HG23 ' A' ' 62' ' ' VAL . 15.2 t -114.59 5.88 15.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 0.751 . . . . 0.0 112.362 179.838 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 73.7 m-80 60.27 62.62 1.55 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 123.881 0.738 . . . . 0.0 110.088 179.7 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.695 HG22 HG22 ' A' ' 17' ' ' THR . 66.9 t -142.52 138.39 28.88 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.4 0 O-C-N 124.447 1.092 . . . . 0.0 110.094 179.629 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 60.1 t -78.89 137.74 21.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.363 1.04 . . . . 0.0 109.945 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -145.98 29.57 1.09 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.522 1.139 . . . . 0.0 109.45 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 63.6 m-70 -147.68 130.5 16.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.738 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 41.5 t -66.27 114.93 19.08 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.382 1.051 . . . . 0.0 109.571 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.701 ' HB3' HG13 ' A' ' 54' ' ' VAL . 36.2 Cg_endo -79.06 153.92 25.26 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.466 1.772 . . . . 0.0 111.214 179.572 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 11.2 p80 -143.97 160.74 40.3 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.421 1.076 . . . . 0.0 109.726 179.558 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 1.098 ' CG2' HG22 ' A' ' 52' ' ' VAL . 92.8 t -112.94 98.04 6.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.575 1.172 . . . . 0.0 108.862 179.822 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.962 0 O-C-N 124.295 0.997 . . . . 0.0 110.855 -179.695 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.452 -0.369 0 N-CA-C 112.22 0.452 . . . . 0.0 112.22 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -134.8 -167.16 1.93 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.242 0.964 . . . . 0.0 110.291 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 4.1 m-30 -99.95 -169.66 1.77 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.424 1.078 . . . . 0.0 110.968 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 126.34 -5.26 7.69 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.42 1.075 . . . . 0.0 112.966 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.1 t 175.07 109.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.225 0.603 . . . . 0.0 109.895 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -152.05 96.49 2.21 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.378 1.049 . . . . 0.0 110.444 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 6.7 mp -80.71 113.42 18.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 109.324 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 11.1 mttp -72.66 89.83 1.34 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 109.47 -179.734 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.1 m -148.52 137.51 21.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.341 1.026 . . . . 0.0 109.663 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -125.03 91.84 48.62 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.606 1.191 . . . . 0.0 110.695 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -75.38 -4.72 15.71 Favored 'Trans proline' 0 C--N 1.367 1.525 0 O-C-N 123.815 1.429 . . . . 0.0 112.893 -179.409 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -76.93 -19.16 57.71 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.159 0.912 . . . . 0.0 111.562 -179.625 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 2.9 t -93.73 39.27 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 O-C-N 124.253 0.97 . . . . 0.0 109.527 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 55.6 t -104.99 137.26 35.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.11 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 110.08 -26.57 13.47 Favored Glycine 0 CA--C 1.532 1.097 0 O-C-N 124.546 1.154 . . . . 0.0 110.586 -179.718 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.424 ' HB3' ' HB3' ' A' ' 20' ' ' GLN . 19.1 mttt -76.78 162.55 27.57 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.596 0.821 . . . . 0.0 108.815 -179.728 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.678 HG22 HG22 ' A' ' 62' ' ' VAL . 70.5 p -98.33 168.83 9.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.158 0.911 . . . . 0.0 110.201 179.754 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.631 HG13 ' CG ' ' A' ' 36' ' ' PHE . 73.0 t -49.57 -53.47 9.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.115 . . . . 0.0 111.316 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.11 -36.85 75.89 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.313 1.008 . . . . 0.0 110.563 -179.417 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.482 ' HA ' ' NE2' ' A' ' 20' ' ' GLN . 0.0 OUTLIER -63.67 -54.14 40.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.555 1.16 . . . . 0.0 109.575 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -74.02 0.49 13.48 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.44 1.087 . . . . 0.0 112.81 179.683 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.507 HH21 ' HD2' ' A' ' 36' ' ' PHE . 18.4 tpp85 -81.46 -46.25 14.83 Favored 'General case' 0 C--N 1.322 -0.593 0 O-C-N 124.348 1.03 . . . . 0.0 109.289 179.594 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -72.44 -30.62 64.75 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 114.582 -1.19 . . . . 0.0 109.858 179.508 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 36.0 t80 -65.29 -56.02 15.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.588 1.18 . . . . 0.0 110.85 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.414 ' CG ' HG21 ' A' ' 34' ' ' VAL . 5.7 m-85 -66.87 -21.87 65.99 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.639 1.212 . . . . 0.0 110.972 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.4 m -76.53 -36.21 57.83 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.311 1.007 . . . . 0.0 111.65 -179.794 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.4 mt -82.37 -45.33 15.01 Favored 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 113.964 1.098 . . . . 0.0 113.964 -178.363 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 21.6 m170 -83.02 -42.15 17.84 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.059 0.849 . . . . 0.0 112.96 -178.544 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 45.8 m-85 -121.71 72.67 31.45 Favored Pre-proline 0 C--O 1.24 0.56 0 N-CA-C 115.031 1.493 . . . . 0.0 115.031 -178.531 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_endo -76.62 5.68 4.62 Favored 'Trans proline' 0 C--N 1.358 1.07 0 O-C-N 123.601 1.316 . . . . 0.0 113.445 179.708 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -121.4 21.21 11.1 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.361 1.038 . . . . 0.0 110.512 179.24 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . 0.254 1.1 m-30 -122.98 126.14 46.6 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 114.979 -1.01 . . . . 0.0 109.665 179.542 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -89.81 98.16 11.61 Favored 'General case' 0 C--N 1.322 -0.591 0 O-C-N 124.469 1.106 . . . . 0.0 108.683 178.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.521 HG22 ' HB ' ' A' ' 52' ' ' VAL . 2.5 t -85.87 151.29 3.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.551 1.157 . . . . 0.0 109.201 -179.713 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -137.34 122.74 19.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 110.973 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.631 ' CG ' HG13 ' A' ' 18' ' ' VAL . 42.3 m-85 -101.54 116.91 33.82 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.229 0.956 . . . . 0.0 110.689 179.81 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.502 HD23 ' O ' ' A' ' 36' ' ' PHE . 0.2 OUTLIER -142.22 -178.93 0.87 Allowed Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.255 0.972 . . . . 0.0 108.841 -179.901 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.497 ' CD ' ' CB ' ' A' ' 37' ' ' LEU . 9.9 Cg_endo -73.36 161.35 42.89 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.311 1.69 . . . . 0.0 110.476 179.401 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.422 ' HB3' ' HB3' ' A' ' 55' ' ' PHE . 0.0 OUTLIER -91.39 51.43 1.9 Allowed 'General case' 0 C--N 1.322 -0.59 0 O-C-N 124.505 1.128 . . . . 0.0 110.304 -179.359 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -127.19 21.63 5.75 Favored Glycine 0 CA--C 1.528 0.9 0 O-C-N 124.313 1.008 . . . . 0.0 115.358 -178.285 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.496 ' CB ' ' CD ' ' A' ' 42' ' ' PRO . 2.6 p -88.42 -178.49 1.06 Allowed Pre-proline 0 C--O 1.239 0.503 0 O-C-N 124.477 0.751 . . . . 0.0 109.809 178.232 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.496 ' CD ' ' CB ' ' A' ' 41' ' ' SER . 68.3 Cg_endo -83.49 -89.6 0.0 OUTLIER 'Trans proline' 0 C--N 1.358 1.058 0 O-C-N 124.156 1.609 . . . . 0.0 111.915 -179.653 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.551 HG13 ' N ' ' A' ' 44' ' ' THR . 1.1 p -140.0 -158.84 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.211 -0.904 . . . . 0.0 108.796 -179.797 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' THR . . . . . 1.204 HG22 ' OXT' ' A' ' 70' ' ' GLY . 1.3 p -81.95 90.85 6.5 Favored 'General case' 0 N--CA 1.448 -0.536 0 O-C-N 125.144 1.528 . . . . 0.0 110.604 178.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.476 HD11 ' HG2' ' A' ' 42' ' ' PRO . 1.3 mt -74.53 -71.59 0.33 Allowed 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 114.92 -1.036 . . . . 0.0 110.906 -179.677 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -62.37 163.53 8.43 Favored 'General case' 0 N--CA 1.448 -0.566 0 O-C-N 124.395 1.059 . . . . 0.0 111.274 -179.404 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -120.46 44.77 2.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 114.934 -1.03 . . . . 0.0 109.556 -179.74 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.643 ' HG3' HH21 ' A' ' 51' ' ' ARG . 0.1 OUTLIER -87.84 104.93 17.05 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 114.885 -1.052 . . . . 0.0 109.555 179.84 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 13.7 m-30 -71.31 -29.49 65.09 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 115.341 -0.845 . . . . 0.0 112.595 -178.753 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 10.8 p-10 -89.35 -10.1 47.94 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.471 1.107 . . . . 0.0 111.866 179.611 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.643 HH21 ' HG3' ' A' ' 48' ' ' ARG . 0.1 OUTLIER -98.94 119.94 38.55 Favored 'General case' 0 C--N 1.323 -0.575 0 O-C-N 123.934 0.771 . . . . 0.0 109.873 -179.372 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.66 HG13 HG22 ' A' ' 69' ' ' VAL . 1.9 t -109.44 148.77 12.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.258 0.974 . . . . 0.0 110.051 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 1.3 mtt85 -120.19 135.26 55.04 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 114.77 -1.105 . . . . 0.0 109.711 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.48 HG13 ' HB3' ' A' ' 67' ' ' PRO . 17.3 t -129.32 136.99 58.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.611 1.194 . . . . 0.0 109.255 -179.817 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.426 ' O ' HG13 ' A' ' 63' ' ' VAL . 44.4 m-85 -105.71 144.23 32.74 Favored 'General case' 0 C--N 1.328 -0.337 0 O-C-N 124.445 1.091 . . . . 0.0 111.22 179.733 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 15.7 p90 -148.73 169.26 20.83 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 114.939 -1.028 . . . . 0.0 110.469 -179.593 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.445 ' HA ' ' HD3' ' A' ' 58' ' ' PRO . 3.4 t-20 -78.75 133.75 61.91 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.316 1.01 . . . . 0.0 109.701 -179.665 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.445 ' HD3' ' HA ' ' A' ' 57' ' ' ASN . 54.2 Cg_endo -85.24 38.02 0.63 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.239 1.652 . . . . 0.0 113.198 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -146.66 -67.28 0.01 OUTLIER Glycine 0 CA--C 1.531 1.045 0 N-CA-C 110.752 -0.939 . . . . 0.0 110.752 179.767 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.528 HG23 HG23 ' A' ' 62' ' ' VAL . 7.4 t -83.43 -19.93 35.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 0.757 . . . . 0.0 110.96 179.752 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 8.7 m-20 69.38 68.41 0.26 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.342 1.026 . . . . 0.0 109.33 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.678 HG22 HG22 ' A' ' 17' ' ' THR . 49.9 t -143.69 139.88 25.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.201 179.724 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.426 HG13 ' O ' ' A' ' 55' ' ' PHE . 45.4 t -80.87 125.89 39.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 108.893 179.517 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 4.1 p30 -134.44 24.73 3.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.678 1.236 . . . . 0.0 109.715 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 64.2 m-70 -143.28 144.97 32.33 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.315 1.009 . . . . 0.0 109.376 179.776 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 59.5 t -70.92 115.88 40.64 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.606 1.191 . . . . 0.0 109.089 179.765 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.48 ' HB3' HG13 ' A' ' 54' ' ' VAL . 27.7 Cg_endo -74.63 148.32 36.9 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.544 1.813 . . . . 0.0 110.665 -179.643 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -148.5 163.22 37.85 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.481 1.113 . . . . 0.0 109.753 -179.796 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.66 HG22 HG13 ' A' ' 52' ' ' VAL . 97.6 t -85.73 149.65 4.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 109.384 179.787 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 1.204 ' OXT' HG22 ' A' ' 44' ' ' THR . . . . . . . . 0 CA--C 1.53 0.979 0 O-C-N 124.497 1.123 . . . . 0.0 110.979 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 82.3 p . . . . . 0 N--CA 1.452 -0.365 0 CA-C-O 120.541 0.21 . . . . 0.0 110.492 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -90.95 162.29 14.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.58 1.175 . . . . 0.0 110.214 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 87.7 m-85 -51.76 -26.22 9.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.155 . . . . 0.0 110.845 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 84.07 -4.17 83.86 Favored Glycine 0 CA--C 1.529 0.922 0 O-C-N 124.495 1.122 . . . . 0.0 113.017 179.75 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.4 t -92.78 -100.46 0.13 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.18 0.576 . . . . 0.0 110.087 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 68.71 157.84 0.15 Allowed 'General case' 0 N--CA 1.451 -0.384 0 O-C-N 124.098 0.874 . . . . 0.0 110.263 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 5.9 mp -92.11 165.18 13.29 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 114.727 -1.124 . . . . 0.0 108.72 179.549 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.432 ' HB2' ' HB ' ' A' ' 69' ' ' VAL . 45.3 mmtt -60.67 96.92 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.602 1.189 . . . . 0.0 109.482 -179.827 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.431 ' HB2' ' HB3' ' A' ' 68' ' ' HIS . 1.5 t -142.98 142.33 31.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.342 1.026 . . . . 0.0 109.687 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -127.71 99.43 26.42 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.143 . . . . 0.0 111.067 -179.653 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_endo -77.2 -0.96 11.12 Favored 'Trans proline' 0 C--N 1.363 1.311 0 O-C-N 124.067 1.562 . . . . 0.0 112.498 179.624 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -77.15 -30.59 55.08 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 123.857 0.723 . . . . 0.0 111.866 -179.17 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.674 HG23 ' HD2' ' A' ' 16' ' ' LYS . 12.1 p -91.85 55.77 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.199 0.937 . . . . 0.0 110.273 -179.371 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 26.9 t -122.7 115.68 46.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.321 1.013 . . . . 0.0 109.142 179.71 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 118.92 -20.14 10.01 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.464 1.103 . . . . 0.0 111.603 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.674 ' HD2' HG23 ' A' ' 13' ' ' VAL . 5.3 ptpt -79.66 162.03 25.49 Favored 'General case' 0 C--N 1.327 -0.376 0 O-C-N 124.626 0.839 . . . . 0.0 108.762 -179.136 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.705 HG22 HG22 ' A' ' 62' ' ' VAL . 25.4 p -88.27 166.46 14.3 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.127 0.892 . . . . 0.0 111.477 -179.397 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.695 HG13 ' CD1' ' A' ' 36' ' ' PHE . 15.5 t -49.26 -58.26 1.4 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 111.325 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -52.04 -37.51 53.83 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.174 -0.921 . . . . 0.0 110.592 -179.25 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 7.1 mm-40 -63.75 -52.32 60.9 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.127 . . . . 0.0 110.034 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.04 -0.27 13.41 Favored 'General case' 0 N--CA 1.451 -0.395 0 O-C-N 124.565 1.165 . . . . 0.0 113.156 -179.707 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 7.1 tpp85 -84.43 -46.43 11.69 Favored 'General case' 0 C--N 1.322 -0.625 0 O-C-N 124.559 1.162 . . . . 0.0 109.865 -179.68 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -75.29 -24.72 57.56 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 114.747 -1.115 . . . . 0.0 110.808 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 57.4 t80 -71.55 -48.68 46.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 112.151 -179.622 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -71.15 -22.88 62.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.449 1.093 . . . . 0.0 112.287 -179.437 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 24.4 m -76.37 -32.25 58.51 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.297 0.998 . . . . 0.0 111.915 -179.367 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 15.5 mt -88.15 -46.0 9.64 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 113.712 1.004 . . . . 0.0 113.712 -178.318 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -84.98 -38.94 18.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.088 0.867 . . . . 0.0 113.085 -178.417 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 47.1 m-85 -123.58 57.69 12.38 Favored Pre-proline 0 C--N 1.323 -0.562 0 N-CA-C 114.288 1.218 . . . . 0.0 114.288 -178.295 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_endo -68.57 -8.82 24.27 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 123.876 1.461 . . . . 0.0 113.5 -179.006 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -98.05 17.17 19.01 Favored 'General case' 0 C--N 1.327 -0.381 0 O-C-N 124.205 0.941 . . . . 0.0 111.748 -179.794 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . 0.267 3.2 m-85 -128.07 129.95 47.45 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.202 -0.908 . . . . 0.0 109.992 -179.451 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 83.6 m-20 -89.85 98.27 11.67 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.387 1.055 . . . . 0.0 108.491 178.763 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 6.0 t -85.3 148.84 4.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.132 . . . . 0.0 110.821 -179.481 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.524 ' CE2' ' HD3' ' A' ' 51' ' ' ARG . 3.8 m-30 -132.51 141.89 48.97 Favored 'General case' 0 CA--C 1.543 0.686 0 O-C-N 124.426 1.079 . . . . 0.0 109.825 179.119 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.695 ' CD1' HG13 ' A' ' 18' ' ' VAL . 32.4 m-85 -120.49 126.81 51.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.816 1.322 . . . . 0.0 110.892 -179.875 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.444 ' HB3' ' HD2' ' A' ' 38' ' ' PRO . 12.2 mt -145.22 160.95 44.05 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.218 0.949 . . . . 0.0 109.024 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.444 ' HD2' ' HB3' ' A' ' 37' ' ' LEU . 5.9 Cg_endo -66.83 150.5 83.25 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.442 1.759 . . . . 0.0 110.574 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.407 ' HG3' ' NE2' ' A' ' 65' ' ' HIS . 1.2 tt0 -69.67 137.05 51.82 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.527 1.142 . . . . 0.0 112.009 -179.259 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 78.09 8.47 87.4 Favored Glycine 0 CA--C 1.529 0.95 0 CA-C-N 114.87 -1.059 . . . . 0.0 113.031 179.022 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 52.3 p -94.72 150.87 38.59 Favored Pre-proline 0 C--O 1.244 0.788 0 O-C-N 124.716 0.892 . . . . 0.0 109.524 178.127 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 26.7 Cg_endo -64.01 140.41 72.32 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 123.865 1.455 . . . . 0.0 110.332 178.887 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -142.65 168.43 13.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.357 1.036 . . . . 0.0 108.808 179.824 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -75.59 90.55 2.79 Favored 'General case' 0 CA--C 1.534 0.361 0 O-C-N 125.107 1.504 . . . . 0.0 108.305 177.333 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.401 ' HA ' ' NH2' ' A' ' 53' ' ' ARG . 0.1 OUTLIER -87.69 40.97 0.96 Allowed 'General case' 0 N--CA 1.449 -0.475 0 O-C-N 124.448 1.092 . . . . 0.0 111.809 -177.944 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -77.89 -158.72 0.13 Allowed 'General case' 0 C--N 1.323 -0.584 0 O-C-N 124.129 0.893 . . . . 0.0 109.401 179.812 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.634 HD21 ' CE1' ' A' ' 49' ' ' TYR . 0.4 OUTLIER -109.06 92.55 4.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.011 0.82 . . . . 0.0 110.482 -179.471 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.481 ' HB3' ' CB ' ' A' ' 51' ' ' ARG . 7.1 mmm180 -114.52 119.96 38.62 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 114.784 -1.098 . . . . 0.0 110.28 -179.462 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.634 ' CE1' HD21 ' A' ' 47' ' ' LEU . 18.0 m-30 -85.74 -38.16 18.56 Favored 'General case' 0 CA--C 1.536 0.429 0 O-C-N 124.261 0.976 . . . . 0.0 112.749 -179.38 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -92.44 -7.75 46.68 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.704 1.252 . . . . 0.0 112.206 -179.468 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.524 ' HD3' ' CE2' ' A' ' 35' ' ' TYR . 8.0 ttm180 -98.61 125.45 43.87 Favored 'General case' 0 C--N 1.323 -0.56 0 O-C-N 124.089 0.868 . . . . 0.0 110.526 -179.064 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 1.253 ' CG2' HG22 ' A' ' 69' ' ' VAL . 53.9 t -111.9 123.48 67.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.421 1.076 . . . . 0.0 109.088 179.194 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.401 ' NH2' ' HA ' ' A' ' 45' ' ' LEU . 66.8 mtt85 -88.95 136.7 32.87 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.025 -0.989 . . . . 0.0 111.103 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.493 HG22 ' CB ' ' A' ' 67' ' ' PRO . 62.3 t -131.54 151.95 36.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.276 0.985 . . . . 0.0 109.248 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.452 ' O ' HG13 ' A' ' 63' ' ' VAL . 24.3 m-85 -131.56 142.08 49.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 111.131 -179.807 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.44 ' CD1' ' C ' ' A' ' 56' ' ' TYR . 5.4 p90 -140.05 165.43 27.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.604 1.19 . . . . 0.0 110.467 179.661 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.401 ' HA ' ' HD3' ' A' ' 58' ' ' PRO . 8.8 t-20 -102.16 133.65 20.51 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 0.0 109.801 -179.544 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 57' ' ' ASN . 23.9 Cg_endo -78.87 -17.97 11.9 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.42 1.748 . . . . 0.0 111.719 179.667 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -50.12 -54.08 20.57 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.349 1.031 . . . . 0.0 111.831 -179.679 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 14.9 t -132.62 13.77 4.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 0.76 . . . . 0.0 111.903 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 5.9 m120 58.09 61.18 2.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.039 0.837 . . . . 0.0 109.654 179.738 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.705 HG22 HG22 ' A' ' 17' ' ' THR . 38.8 t -140.72 142.47 30.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 O-C-N 124.529 1.143 . . . . 0.0 110.333 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.452 HG13 ' O ' ' A' ' 55' ' ' PHE . 47.8 t -81.46 137.24 21.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 114.957 -1.02 . . . . 0.0 109.557 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 37.4 p30 -147.97 34.33 0.83 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.538 1.149 . . . . 0.0 109.878 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.407 ' NE2' ' HG3' ' A' ' 39' ' ' GLU . 89.7 m-70 -147.89 124.61 11.16 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.481 1.113 . . . . 0.0 109.59 179.735 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 14.9 t -58.05 111.28 3.32 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.45 1.094 . . . . 0.0 109.968 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.493 ' CB ' HG22 ' A' ' 54' ' ' VAL . 42.1 Cg_endo -82.95 104.84 1.3 Allowed 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.475 1.776 . . . . 0.0 110.797 179.531 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.431 ' HB3' ' HB2' ' A' ' 9' ' ' SER . 0.1 OUTLIER -107.41 163.25 13.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.328 1.017 . . . . 0.0 109.756 -179.901 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 1.253 HG22 ' CG2' ' A' ' 52' ' ' VAL . 69.2 t -86.42 145.94 7.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 108.89 179.568 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.945 0 O-C-N 124.669 1.231 . . . . 0.0 111.056 -179.853 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 16.3 m . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 110.362 -0.236 . . . . 0.0 110.362 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -92.92 165.47 12.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.459 1.099 . . . . 0.0 110.299 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 20.9 m-30 -99.82 -38.9 8.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 111.057 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 77.31 5.71 85.73 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.493 1.12 . . . . 0.0 112.928 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.6 t -90.8 46.13 1.31 Allowed 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.22 0.6 . . . . 0.0 110.143 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.516 ' C ' HD22 ' A' ' 7' ' ' LEU . 23.2 mp0 -142.84 63.07 1.39 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.095 . . . . 0.0 110.293 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.516 HD22 ' C ' ' A' ' 6' ' ' GLU . 4.2 mm? -126.22 -176.73 3.73 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.576 1.172 . . . . 0.0 109.36 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 19.8 mmtp -62.02 105.13 0.54 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.503 1.127 . . . . 0.0 109.421 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.1 m -138.13 147.39 43.88 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.447 1.092 . . . . 0.0 109.766 179.809 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.4 ' CD1' ' N ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -127.27 98.7 29.11 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 111.047 -179.754 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 24.8 Cg_endo -75.33 -4.37 15.22 Favored 'Trans proline' 0 C--N 1.363 1.336 0 O-C-N 124.055 1.555 . . . . 0.0 112.676 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -72.97 -17.91 61.42 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.061 0.85 . . . . 0.0 111.302 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.562 HG13 ' HD3' ' A' ' 16' ' ' LYS . 5.5 t -93.83 32.4 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.218 0.949 . . . . 0.0 110.01 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 9.0 t -94.78 108.85 21.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.385 1.053 . . . . 0.0 109.103 179.78 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 118.52 -19.54 10.57 Favored Glycine 0 CA--C 1.531 1.085 0 O-C-N 124.573 1.171 . . . . 0.0 111.287 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.562 ' HD3' HG13 ' A' ' 13' ' ' VAL . 13.4 mtpt -73.78 162.61 28.95 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.571 0.807 . . . . 0.0 108.824 -179.815 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -104.55 165.5 11.02 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.183 0.927 . . . . 0.0 109.856 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.768 HG13 ' CE2' ' A' ' 36' ' ' PHE . 21.1 t -48.62 -49.94 13.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.028 0.83 . . . . 0.0 111.944 -179.684 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -54.06 -42.04 68.81 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.234 0.959 . . . . 0.0 111.309 -178.761 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 5.9 mm100 -62.4 -54.17 44.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.385 1.053 . . . . 0.0 110.402 -179.666 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.76 -0.34 13.02 Favored 'General case' 0 C--N 1.328 -0.368 0 O-C-N 124.605 1.191 . . . . 0.0 113.186 -179.412 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.428 ' HA ' ' HD3' ' A' ' 22' ' ' ARG . 14.2 tpp85 -83.32 -45.99 13.12 Favored 'General case' 0 C--N 1.322 -0.62 0 O-C-N 124.465 1.103 . . . . 0.0 109.669 -179.822 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -77.34 -22.98 51.0 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 114.726 -1.125 . . . . 0.0 110.829 -179.617 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 40.8 t80 -71.53 -50.04 35.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.389 1.056 . . . . 0.0 111.957 -179.478 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.582 ' CD2' HG21 ' A' ' 34' ' ' VAL . 22.0 m-30 -72.38 -25.61 61.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.372 1.045 . . . . 0.0 111.793 -179.633 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 17.1 m -74.17 -32.37 63.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.321 1.013 . . . . 0.0 111.153 -179.752 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 19.1 mt -92.06 -46.1 7.96 Favored 'General case' 0 N--CA 1.45 -0.446 0 N-CA-C 113.971 1.1 . . . . 0.0 113.971 -178.227 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 18.5 m170 -85.53 -36.52 20.43 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 113.49 0.922 . . . . 0.0 113.49 -178.129 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -123.83 62.66 26.96 Favored Pre-proline 0 C--O 1.241 0.631 0 N-CA-C 115.074 1.509 . . . . 0.0 115.074 -178.153 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 13.0 Cg_endo -70.8 -2.07 10.33 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 123.618 1.325 . . . . 0.0 113.297 -179.543 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -107.09 18.24 21.98 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.338 1.024 . . . . 0.0 111.358 179.84 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . 0.275 3.1 m-85 -129.53 122.26 28.85 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.108 -0.951 . . . . 0.0 110.079 -179.157 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -87.57 97.96 11.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.318 1.011 . . . . 0.0 108.572 178.366 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.582 HG21 ' CD2' ' A' ' 25' ' ' PHE . 3.4 t -84.86 151.55 3.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.905 -179.573 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.479 ' CG ' ' NH1' ' A' ' 53' ' ' ARG . 45.6 m-85 -139.78 131.78 27.83 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.362 1.039 . . . . 0.0 110.801 179.663 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.768 ' CE2' HG13 ' A' ' 18' ' ' VAL . 50.2 m-85 -103.39 134.08 47.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.316 1.01 . . . . 0.0 111.009 -179.807 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.457 HD23 ' O ' ' A' ' 36' ' ' PHE . 0.2 OUTLIER -146.25 162.03 36.56 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.333 1.021 . . . . 0.0 109.12 -179.934 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -77.12 147.93 26.9 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.517 1.798 . . . . 0.0 110.638 179.355 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -50.81 137.9 19.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.104 . . . . 0.0 111.263 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.42 ' C ' ' CD ' ' A' ' 42' ' ' PRO . . . 82.02 16.97 70.91 Favored Glycine 0 CA--C 1.528 0.888 0 O-C-N 124.318 1.011 . . . . 0.0 113.533 179.227 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.455 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 24.3 p -106.7 38.15 0.08 OUTLIER Pre-proline 0 C--O 1.25 1.096 0 N-CA-C 118.351 2.723 . . . . 0.0 118.351 179.431 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.455 ' CD ' ' N ' ' A' ' 41' ' ' SER . 12.4 Cg_endo -65.44 140.46 63.53 Favored 'Trans proline' 0 C--N 1.359 1.088 0 C-N-CA 121.346 1.364 . . . . 0.0 110.54 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.544 HG13 ' N ' ' A' ' 44' ' ' THR . 0.8 OUTLIER -120.12 -159.25 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 109.412 -179.823 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.544 ' N ' HG13 ' A' ' 43' ' ' VAL . 1.6 p -81.76 98.27 8.37 Favored 'General case' 0 N--CA 1.449 -0.475 0 O-C-N 125.066 1.479 . . . . 0.0 110.563 178.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 23.8 mt -119.73 96.54 5.23 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 179.62 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.24 -55.47 24.6 Favored 'General case' 0 N--CA 1.446 -0.625 0 O-C-N 124.593 1.183 . . . . 0.0 110.693 -179.453 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.737 HD21 ' CZ ' ' A' ' 49' ' ' TYR . 0.1 OUTLIER 176.55 82.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.032 0.833 . . . . 0.0 109.786 179.756 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.74 ' HB2' ' OXT' ' A' ' 70' ' ' GLY . 16.6 mmt180 -90.7 121.44 32.6 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.253 0.971 . . . . 0.0 109.821 179.614 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.737 ' CZ ' HD21 ' A' ' 47' ' ' LEU . 15.7 m-30 -83.85 -42.06 16.81 Favored 'General case' 0 CA--C 1.537 0.471 0 O-C-N 124.411 1.07 . . . . 0.0 111.707 -179.37 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -93.5 -11.75 31.26 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.842 1.339 . . . . 0.0 112.621 -178.673 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.499 HH21 ' HD2' ' A' ' 48' ' ' ARG . 2.4 ttp180 -91.44 109.67 20.96 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.008 0.818 . . . . 0.0 111.328 -179.387 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 1.115 ' CG2' HG22 ' A' ' 69' ' ' VAL . 84.1 t -107.53 121.56 60.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 O-C-N 124.301 1.001 . . . . 0.0 109.511 179.642 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.479 ' NH1' ' CG ' ' A' ' 35' ' ' TYR . 9.6 mmm180 -88.47 142.87 27.36 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.035 -0.984 . . . . 0.0 111.409 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 61.7 t -130.96 154.54 40.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.326 1.016 . . . . 0.0 108.945 179.802 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.437 ' HB2' ' HB2' ' A' ' 65' ' ' HIS . 14.5 m-85 -127.46 137.26 52.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.591 1.182 . . . . 0.0 111.594 -179.775 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 12.1 p90 -146.5 168.45 21.17 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.367 1.042 . . . . 0.0 110.694 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 41.9 t30 -98.72 131.25 26.1 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.496 1.122 . . . . 0.0 109.881 -179.686 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 27.7 Cg_endo -79.0 7.42 4.36 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.42 1.747 . . . . 0.0 112.553 179.688 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -88.88 -74.63 1.29 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.184 0.927 . . . . 0.0 110.786 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.439 HG23 HG23 ' A' ' 62' ' ' VAL . 15.4 t -97.03 2.8 51.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 0.743 . . . . 0.0 112.402 179.761 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 7.8 m120 60.69 61.32 1.72 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 123.934 0.771 . . . . 0.0 110.029 179.636 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.439 HG23 HG23 ' A' ' 60' ' ' THR . 69.3 t -142.04 151.26 18.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 O-C-N 124.417 1.073 . . . . 0.0 109.309 179.693 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 99.0 t -83.51 138.18 19.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.364 1.04 . . . . 0.0 109.83 -179.777 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.436 ' O ' ' CD2' ' A' ' 65' ' ' HIS . 37.4 p30 -141.74 25.11 2.0 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.538 1.149 . . . . 0.0 109.541 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.437 ' HB2' ' HB2' ' A' ' 55' ' ' PHE . 35.7 m80 -148.53 128.74 13.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.436 1.085 . . . . 0.0 109.541 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 38.5 t -60.66 114.52 10.47 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.142 . . . . 0.0 109.388 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -74.85 147.75 35.06 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.51 1.795 . . . . 0.0 110.956 179.512 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -147.96 162.5 39.2 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.433 1.083 . . . . 0.0 110.065 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 1.115 HG22 ' CG2' ' A' ' 52' ' ' VAL . 55.3 t -87.8 145.76 7.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 114.907 -1.042 . . . . 0.0 109.302 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.74 ' OXT' ' HB2' ' A' ' 48' ' ' ARG . . . . . . . . 0 CA--C 1.53 0.993 0 O-C-N 124.515 1.134 . . . . 0.0 110.966 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' THR . . . . . 0.495 HG23 ' HG3' ' A' ' 2' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 CA-C-O 120.539 0.209 . . . . 0.0 110.47 . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.495 ' HG3' HG23 ' A' ' 1' ' ' THR . 5.3 mt-10 -137.46 155.33 49.44 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.106 . . . . 0.0 110.34 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 44.0 m-85 -88.88 -38.84 14.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.566 1.166 . . . . 0.0 110.95 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 82.81 4.05 90.22 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.432 1.082 . . . . 0.0 112.957 179.734 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.2 t -148.09 -178.15 6.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.215 0.597 . . . . 0.0 110.052 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -135.73 124.83 24.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 110.085 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.4 mt -121.55 164.62 16.95 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.459 1.099 . . . . 0.0 109.644 -179.74 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.417 ' HB2' ' HB ' ' A' ' 69' ' ' VAL . 7.9 mtpm? -61.87 103.72 0.38 Allowed 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.475 1.109 . . . . 0.0 109.323 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 54.4 p -127.59 143.54 51.16 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.539 1.15 . . . . 0.0 109.841 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -124.22 99.55 37.06 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.534 1.146 . . . . 0.0 110.763 179.754 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -73.46 -7.05 19.79 Favored 'Trans proline' 0 C--N 1.364 1.351 0 O-C-N 124.199 1.631 . . . . 0.0 112.776 -179.578 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 65.9 tt0 -72.76 -19.95 61.27 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.177 0.923 . . . . 0.0 111.113 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 3.4 t -94.15 36.9 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.298 0.999 . . . . 0.0 109.675 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 7.0 t -102.6 111.69 33.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.189 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 116.25 -15.3 15.56 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.456 1.097 . . . . 0.0 112.007 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 11.6 mptt -71.76 161.04 31.58 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 179.776 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.731 HG22 HG22 ' A' ' 62' ' ' VAL . 82.6 p -97.45 165.19 12.12 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.536 1.147 . . . . 0.0 109.553 178.265 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.441 HG23 ' H ' ' A' ' 18' ' ' VAL . 13.4 t -50.48 -47.35 27.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.258 0.974 . . . . 0.0 110.414 179.786 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -64.87 -37.24 86.97 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 114.947 -1.024 . . . . 0.0 111.339 -179.542 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.2 -53.85 49.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.66 -179.809 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -74.38 -1.43 20.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.531 1.144 . . . . 0.0 113.242 -179.467 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -80.47 -45.72 17.08 Favored 'General case' 0 C--N 1.322 -0.614 0 O-C-N 124.464 1.102 . . . . 0.0 109.746 179.706 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -75.37 -30.14 60.1 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 114.627 -1.169 . . . . 0.0 111.127 -179.463 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 62.0 t80 -68.67 -48.61 63.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.364 1.04 . . . . 0.0 111.783 -179.649 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -71.86 -27.46 62.89 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.59 1.181 . . . . 0.0 112.674 -179.286 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 23.6 m -78.58 -32.79 47.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.237 0.96 . . . . 0.0 112.599 -179.276 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 12.6 mt -84.58 -47.69 10.29 Favored 'General case' 0 N--CA 1.45 -0.444 0 N-CA-C 113.817 1.043 . . . . 0.0 113.817 -178.237 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 24.0 m170 -87.85 -33.75 18.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.069 0.856 . . . . 0.0 113.139 -177.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 50.6 m-85 -124.69 56.61 12.99 Favored Pre-proline 0 C--N 1.324 -0.528 0 N-CA-C 114.052 1.13 . . . . 0.0 114.052 -178.386 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -69.11 -6.41 18.21 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.025 1.54 . . . . 0.0 112.914 -179.375 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -98.43 15.38 24.98 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.154 0.909 . . . . 0.0 111.912 -179.834 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . 0.257 1.1 m-30 -123.48 131.97 53.79 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.277 -0.874 . . . . 0.0 109.51 179.399 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -89.66 97.57 11.27 Favored 'General case' 0 C--N 1.323 -0.571 0 O-C-N 124.568 1.168 . . . . 0.0 108.61 178.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.606 HG22 ' HB ' ' A' ' 52' ' ' VAL . 2.6 t -87.81 151.0 3.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 -179.324 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 17.2 m-85 -137.33 107.86 6.54 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.272 0.982 . . . . 0.0 110.877 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.484 ' O ' HD23 ' A' ' 37' ' ' LEU . 38.4 m-85 -91.37 110.01 21.31 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.293 0.995 . . . . 0.0 110.84 179.7 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.494 ' CB ' ' CD ' ' A' ' 38' ' ' PRO . 0.2 OUTLIER -144.81 179.42 1.17 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.248 0.968 . . . . 0.0 108.974 -179.935 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.494 ' CD ' ' CB ' ' A' ' 37' ' ' LEU . 1.8 Cg_endo -68.71 155.53 68.48 Favored 'Trans proline' 0 C--N 1.358 1.077 0 O-C-N 124.522 1.801 . . . . 0.0 110.49 179.524 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.52 ' HG3' ' CE1' ' A' ' 65' ' ' HIS . 4.1 pm0 -86.26 146.66 26.43 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 114.791 -1.095 . . . . 0.0 112.462 -178.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 74.3 10.29 81.74 Favored Glycine 0 CA--C 1.527 0.84 0 CA-C-N 115.06 -0.973 . . . . 0.0 113.152 179.34 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.478 ' CB ' ' HD3' ' A' ' 42' ' ' PRO . 0.6 OUTLIER -88.66 -55.8 0.31 Allowed Pre-proline 0 N--CA 1.452 -0.358 0 O-C-N 124.395 0.703 . . . . 0.0 111.153 178.053 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.478 ' HD3' ' CB ' ' A' ' 41' ' ' SER . 36.7 Cg_endo -84.95 173.68 7.91 Favored 'Trans proline' 0 C--N 1.358 1.056 0 O-C-N 124.21 1.637 . . . . 0.0 110.918 -179.503 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.428 HG13 ' HG ' ' A' ' 45' ' ' LEU . 0.2 OUTLIER -131.29 176.22 9.4 Favored 'Isoleucine or valine' 0 C--O 1.241 0.62 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 179.524 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 30.6 p -94.03 48.77 1.28 Allowed 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 122.478 1.132 . . . . 0.0 108.179 179.028 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.428 ' HG ' HG13 ' A' ' 43' ' ' VAL . 47.1 mt -49.72 -53.49 24.47 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-N 113.193 -1.822 . . . . 0.0 109.73 -179.506 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -109.35 -173.53 2.29 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-N 114.64 -1.164 . . . . 0.0 110.003 -179.079 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 11.7 tp -130.01 73.73 1.55 Allowed 'General case' 0 C--N 1.327 -0.384 0 O-C-N 124.284 0.99 . . . . 0.0 109.729 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.472 ' HG3' ' CZ ' ' A' ' 51' ' ' ARG . 10.4 mmm180 -89.58 93.78 9.61 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 114.904 -1.044 . . . . 0.0 110.055 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 33.9 m-85 -68.03 -30.07 69.21 Favored 'General case' 0 CA--C 1.536 0.408 0 O-C-N 124.256 0.972 . . . . 0.0 111.07 -179.451 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -88.73 -12.46 42.18 Favored 'General case' 0 C--N 1.323 -0.56 0 O-C-N 124.603 1.189 . . . . 0.0 111.833 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.472 ' CZ ' ' HG3' ' A' ' 48' ' ' ARG . 7.1 ttp180 -104.24 117.15 33.54 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 123.981 0.801 . . . . 0.0 109.417 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.606 ' HB ' HG22 ' A' ' 34' ' ' VAL . 0.3 OUTLIER -97.81 140.89 16.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 O-C-N 124.458 1.099 . . . . 0.0 110.04 -179.579 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 1.278 ' NH2' ' OXT' ' A' ' 70' ' ' GLY . 0.0 OUTLIER -118.21 92.29 3.79 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 124.524 1.14 . . . . 0.0 109.338 179.441 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.448 HG11 ' CE1' ' A' ' 36' ' ' PHE . 86.5 t -86.9 148.73 4.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.731 1.27 . . . . 0.0 109.974 -179.61 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.503 ' O ' HG13 ' A' ' 63' ' ' VAL . 22.0 m-30 -118.72 144.54 46.17 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.521 1.138 . . . . 0.0 110.89 179.801 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.411 ' CD1' ' C ' ' A' ' 56' ' ' TYR . 8.8 p90 -145.31 163.21 35.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.66 1.225 . . . . 0.0 110.304 179.554 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -101.6 108.3 55.08 Favored Pre-proline 0 C--N 1.324 -0.542 0 O-C-N 124.624 1.202 . . . . 0.0 108.558 -179.527 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -60.05 -11.97 17.46 Favored 'Trans proline' 0 C--N 1.362 1.264 0 O-C-N 124.387 1.73 . . . . 0.0 113.058 -178.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -58.34 -67.36 2.24 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.314 1.009 . . . . 0.0 110.898 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.482 ' O ' HG23 ' A' ' 62' ' ' VAL . 13.3 t -112.22 19.56 17.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.553 0.796 . . . . 0.0 111.035 179.684 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 62.9 m-20 50.82 44.26 28.07 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.522 -0.763 . . . . 0.0 111.458 179.048 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.731 HG22 HG22 ' A' ' 17' ' ' THR . 64.2 t -125.37 146.64 30.74 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.37 0 O-C-N 124.302 1.001 . . . . 0.0 109.835 179.434 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.503 HG13 ' O ' ' A' ' 55' ' ' PHE . 95.3 t -86.11 128.51 39.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.596 1.185 . . . . 0.0 109.841 179.836 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 11.4 p-10 -134.33 28.43 3.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.854 1.346 . . . . 0.0 109.256 179.548 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.52 ' CE1' ' HG3' ' A' ' 39' ' ' GLU . 67.9 m-70 -139.0 124.2 19.09 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 114.777 -1.101 . . . . 0.0 109.25 179.494 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 24.9 t -63.14 113.83 10.67 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.804 1.315 . . . . 0.0 108.845 179.606 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 27.3 Cg_endo -75.8 146.47 29.92 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.561 1.822 . . . . 0.0 110.781 -179.445 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -142.71 163.25 33.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 110.109 -179.673 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.417 ' HB ' ' HB2' ' A' ' 8' ' ' LYS . 1.7 t -87.0 147.84 5.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.405 1.066 . . . . 0.0 109.335 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 1.278 ' OXT' ' NH2' ' A' ' 53' ' ' ARG . . . . . . . . 0 CA--C 1.53 1.008 0 O-C-N 124.468 1.105 . . . . 0.0 110.961 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' THR . . . . . 0.44 HG23 ' H ' ' A' ' 2' ' ' GLU . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 110.344 -0.243 . . . . 0.0 110.344 . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.44 ' H ' HG23 ' A' ' 1' ' ' THR . 2.8 mt-10 -133.61 -160.2 1.03 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 110.335 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -145.48 -152.25 0.42 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 110.92 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 136.95 -4.64 3.57 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.442 1.089 . . . . 0.0 112.914 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.8 t -150.36 157.87 43.53 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.151 0.559 . . . . 0.0 109.981 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -134.92 90.67 2.67 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.519 1.137 . . . . 0.0 110.247 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -103.3 67.32 0.92 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.437 1.085 . . . . 0.0 109.421 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 7.2 mttt -61.49 115.67 4.08 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.52 1.138 . . . . 0.0 109.226 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 9.3 m -148.46 128.62 13.7 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.5 1.125 . . . . 0.0 109.991 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -125.97 101.19 29.49 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 110.815 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 26.4 Cg_endo -74.44 -5.3 16.72 Favored 'Trans proline' 0 C--N 1.362 1.283 0 O-C-N 124.237 1.651 . . . . 0.0 112.877 -179.662 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -78.33 6.07 9.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.017 0.823 . . . . 0.0 112.368 -179.387 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.467 ' HB ' ' CG ' ' A' ' 67' ' ' PRO . 26.6 t -93.14 -21.67 6.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 123.902 0.751 . . . . 0.0 110.279 -179.843 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 14.0 t -68.67 113.42 4.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.374 1.046 . . . . 0.0 109.467 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 124.71 -35.21 3.23 Favored Glycine 0 CA--C 1.529 0.915 0 O-C-N 124.402 1.064 . . . . 0.0 111.055 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 15.6 mtmt -74.9 -173.5 1.92 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.398 0.705 . . . . 0.0 109.13 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.556 HG22 HG22 ' A' ' 62' ' ' VAL . 68.7 p -115.65 165.11 13.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.433 1.083 . . . . 0.0 109.932 179.694 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.438 HG23 ' H ' ' A' ' 18' ' ' VAL . 7.6 t -50.3 -50.15 21.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 O-C-N 124.263 0.977 . . . . 0.0 111.161 179.63 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -55.07 -37.75 67.16 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.197 -0.91 . . . . 0.0 113.17 -178.262 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 4.5 mm-40 -62.01 -54.64 38.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.324 1.015 . . . . 0.0 109.736 -179.778 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.69 -3.58 15.87 Favored 'General case' 0 C--N 1.327 -0.399 0 O-C-N 124.802 1.314 . . . . 0.0 113.485 -179.125 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.448 HH21 ' HD2' ' A' ' 36' ' ' PHE . 5.5 tpp85 -80.9 -45.69 16.39 Favored 'General case' 0 C--N 1.32 -0.7 0 O-C-N 124.793 1.308 . . . . 0.0 109.272 179.474 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -75.97 -34.23 59.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 114.516 -1.22 . . . . 0.0 110.135 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 59.4 t80 -55.65 -53.77 52.46 Favored 'General case' 0 C--N 1.327 -0.397 0 O-C-N 124.415 1.072 . . . . 0.0 111.153 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.527 ' CD2' HG21 ' A' ' 34' ' ' VAL . 5.3 m-85 -66.75 -28.22 68.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.621 1.201 . . . . 0.0 111.446 -179.817 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 20.9 m -71.05 -30.83 67.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.21 0.944 . . . . 0.0 110.553 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 15.9 mt -87.57 -45.91 10.02 Favored 'General case' 0 N--CA 1.449 -0.493 0 N-CA-C 114.058 1.133 . . . . 0.0 114.058 -178.292 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -86.02 -49.46 7.8 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 113.402 0.89 . . . . 0.0 113.402 -178.012 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 10.0 m-85 -119.61 75.22 18.36 Favored Pre-proline 0 C--N 1.324 -0.517 0 N-CA-C 115.031 1.493 . . . . 0.0 115.031 -178.429 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -79.36 8.55 3.83 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 123.91 1.479 . . . . 0.0 112.994 179.536 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 6.0 pm0 -118.92 23.16 11.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.198 0.936 . . . . 0.0 110.176 179.691 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 1.2 m-30 -121.56 131.23 54.01 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 114.858 -1.065 . . . . 0.0 109.879 179.723 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 36.4 t0 -88.05 98.08 11.33 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.461 1.101 . . . . 0.0 108.389 178.444 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.527 HG21 ' CD2' ' A' ' 25' ' ' PHE . 2.9 t -85.31 149.27 4.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.564 1.165 . . . . 0.0 110.329 -179.319 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -139.66 104.96 5.04 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 114.889 -1.051 . . . . 0.0 110.508 179.498 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.501 ' CD1' ' HB ' ' A' ' 54' ' ' VAL . 22.7 m-85 -91.23 126.15 36.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 110.873 179.791 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.1 mt -139.2 161.42 57.65 Favored Pre-proline 0 C--N 1.324 -0.54 0 O-C-N 124.364 1.04 . . . . 0.0 108.663 179.717 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.444 ' HB2' ' HG3' ' A' ' 58' ' ' PRO . 41.8 Cg_endo -89.52 57.19 1.89 Allowed 'Trans proline' 0 C--N 1.356 0.956 0 O-C-N 124.636 1.861 . . . . 0.0 112.039 -178.932 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -175.25 138.01 0.41 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.563 1.164 . . . . 0.0 112.446 179.491 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.421 ' HA2' ' CD2' ' A' ' 55' ' ' PHE . . . -121.25 24.85 7.21 Favored Glycine 0 CA--C 1.53 0.972 0 CA-C-N 114.618 -1.174 . . . . 0.0 111.399 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.444 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 1.2 t -87.14 -46.98 0.5 Allowed Pre-proline 0 C--O 1.241 0.654 0 N-CA-C 114.773 1.397 . . . . 0.0 114.773 179.328 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.444 ' CD ' ' N ' ' A' ' 41' ' ' SER . 8.2 Cg_exo -51.73 142.44 41.16 Favored 'Trans proline' 0 C--N 1.357 1.025 0 O-C-N 123.67 1.353 . . . . 0.0 110.126 -179.5 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.533 HG13 ' N ' ' A' ' 44' ' ' THR . 0.6 OUTLIER -87.83 -157.45 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.448 -0.535 0 CA-C-N 114.72 -1.127 . . . . 0.0 111.13 -179.061 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.533 ' N ' HG13 ' A' ' 43' ' ' VAL . 23.5 p -95.52 43.59 1.09 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 113.942 -1.481 . . . . 0.0 109.133 179.363 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.527 ' HG ' HG12 ' A' ' 43' ' ' VAL . 31.3 mt -48.37 -42.13 30.75 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 113.655 -1.611 . . . . 0.0 110.895 -179.783 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -79.28 162.78 25.42 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.4 1.063 . . . . 0.0 110.627 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 14.7 tp -123.92 74.87 1.31 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.164 -0.925 . . . . 0.0 109.33 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 1.099 ' O ' ' OXT' ' A' ' 70' ' ' GLY . 0.7 OUTLIER -132.29 112.41 12.2 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.388 1.055 . . . . 0.0 109.751 -179.582 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 37.9 m-85 -79.48 -26.3 41.66 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.164 0.915 . . . . 0.0 112.359 -179.304 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.7 p-10 -91.49 -7.59 50.04 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.328 1.017 . . . . 0.0 111.879 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.46 ' CB ' ' HB3' ' A' ' 48' ' ' ARG . 6.9 ttp180 -101.71 127.94 48.25 Favored 'General case' 0 C--N 1.322 -0.623 0 O-C-N 123.993 0.808 . . . . 0.0 109.845 -179.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.812 HG22 HG22 ' A' ' 69' ' ' VAL . 92.6 t -115.87 142.3 29.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.343 1.027 . . . . 0.0 110.255 -179.784 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 11.4 mtp180 -122.9 124.12 42.52 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 114.853 -1.067 . . . . 0.0 109.283 179.714 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 1.022 HG13 ' HB3' ' A' ' 67' ' ' PRO . 2.4 t -116.21 153.23 17.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.421 1.076 . . . . 0.0 110.784 -179.261 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.421 ' CD2' ' HA2' ' A' ' 40' ' ' GLY . 1.0 OUTLIER -121.48 136.24 54.97 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 114.815 -1.084 . . . . 0.0 110.312 179.436 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.436 ' CD1' ' C ' ' A' ' 56' ' ' TYR . 3.6 p90 -136.02 168.61 19.04 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.465 1.103 . . . . 0.0 110.445 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -91.8 118.35 68.23 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.208 0.942 . . . . 0.0 111.026 -178.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.444 ' HG3' ' HB2' ' A' ' 38' ' ' PRO . 34.4 Cg_endo -77.71 85.21 1.84 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.297 1.682 . . . . 0.0 110.937 179.225 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -166.84 -57.91 0.03 OUTLIER Glycine 0 CA--C 1.532 1.105 0 O-C-N 124.419 1.074 . . . . 0.0 110.75 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 15.4 t -130.59 6.97 4.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 0.787 . . . . 0.0 112.2 179.683 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 5.7 m120 70.26 72.88 0.22 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 123.844 0.715 . . . . 0.0 109.528 179.816 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.556 HG22 HG22 ' A' ' 17' ' ' THR . 9.9 t -144.19 126.74 11.18 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.321 0 O-C-N 124.629 1.206 . . . . 0.0 110.546 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.436 HG11 HG12 ' A' ' 13' ' ' VAL . 65.7 t -72.96 140.24 18.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.089 -0.96 . . . . 0.0 109.323 179.46 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -148.05 28.35 0.93 Allowed 'General case' 0 C--N 1.327 -0.385 0 O-C-N 124.436 1.085 . . . . 0.0 109.875 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.417 ' HB2' ' HB2' ' A' ' 55' ' ' PHE . 84.5 m-70 -149.51 125.79 10.79 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.42 1.075 . . . . 0.0 109.696 -179.815 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 45.6 t -54.68 110.41 2.14 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 109.305 179.77 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 1.022 ' HB3' HG13 ' A' ' 54' ' ' VAL . 22.5 Cg_endo -78.95 118.52 4.1 Favored 'Trans proline' 0 C--N 1.359 1.092 0 O-C-N 124.404 1.739 . . . . 0.0 110.917 179.584 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 5.2 p-80 -128.03 162.73 26.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.103 . . . . 0.0 109.547 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.812 HG22 HG22 ' A' ' 52' ' ' VAL . 20.4 t -97.55 160.21 3.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 0.0 109.601 -179.837 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 1.099 ' OXT' ' O ' ' A' ' 48' ' ' ARG . . . . . . . . 0 CA--C 1.53 1.02 0 O-C-N 124.451 1.095 . . . . 0.0 110.989 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 57.1 p . . . . . 0 N--CA 1.453 -0.278 0 CA-C-O 120.541 0.21 . . . . 0.0 110.577 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 33.4 mm-40 -69.54 -154.76 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.447 1.092 . . . . 0.0 110.326 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.415 ' CD1' ' N ' ' A' ' 3' ' ' PHE . 2.1 m-85 -74.82 -26.09 59.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.143 . . . . 0.0 110.769 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -96.21 9.23 67.47 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.412 1.07 . . . . 0.0 112.744 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.2 t -50.8 102.31 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.288 0.64 . . . . 0.0 111.021 -179.516 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.482 ' C ' HD23 ' A' ' 7' ' ' LEU . 17.8 mt-10 -153.94 179.91 8.46 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.459 1.099 . . . . 0.0 110.264 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.482 HD23 ' C ' ' A' ' 6' ' ' GLU . 6.0 mt -100.77 158.6 15.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.408 1.067 . . . . 0.0 109.179 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.499 ' O ' HG23 ' A' ' 69' ' ' VAL . 5.1 mmtt -63.21 111.97 2.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.462 1.102 . . . . 0.0 109.164 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.8 m -143.79 147.93 34.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.623 1.202 . . . . 0.0 109.913 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -122.49 96.23 46.06 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.139 . . . . 0.0 110.914 -179.825 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_endo -73.15 -7.09 20.05 Favored 'Trans proline' 0 C--N 1.365 1.441 0 O-C-N 124.017 1.536 . . . . 0.0 112.75 -179.182 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -73.5 -22.24 60.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.196 0.935 . . . . 0.0 110.56 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -99.48 29.62 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.333 1.021 . . . . 0.0 109.945 -179.739 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.546 HG21 HG22 ' A' ' 66' ' ' VAL . 15.5 t -101.46 108.72 24.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.436 1.085 . . . . 0.0 109.146 179.72 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 122.72 -21.14 7.61 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.561 1.163 . . . . 0.0 110.907 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 37.2 mttm -76.06 160.95 29.29 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.691 0.877 . . . . 0.0 108.64 -179.702 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.488 HG22 HG22 ' A' ' 62' ' ' VAL . 81.4 p -89.93 166.36 13.53 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.092 0.87 . . . . 0.0 111.037 -179.875 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.642 HG13 ' CE2' ' A' ' 36' ' ' PHE . 2.5 t -47.49 -60.48 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.641 1.213 . . . . 0.0 111.659 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -51.78 -36.98 49.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.112 0.882 . . . . 0.0 111.286 -179.131 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 11.8 mm-40 -64.85 -50.01 68.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.266 0.979 . . . . 0.0 110.537 -179.564 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.2 -3.5 17.22 Favored 'General case' 0 N--CA 1.452 -0.346 0 O-C-N 124.591 1.182 . . . . 0.0 113.0 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.6 tpm_? -83.19 -46.6 12.52 Favored 'General case' 0 C--N 1.321 -0.641 0 O-C-N 124.618 1.198 . . . . 0.0 109.74 179.761 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -68.79 -27.8 66.2 Favored 'General case' 0 N--CA 1.452 -0.356 0 O-C-N 124.649 1.218 . . . . 0.0 110.108 179.791 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 85.3 t80 -73.45 -51.32 17.61 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.557 1.161 . . . . 0.0 111.75 -179.735 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -70.54 -23.23 62.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 111.888 -179.514 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 3.4 m -78.42 -34.85 47.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.441 1.088 . . . . 0.0 112.379 -179.404 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 14.3 mt -83.86 -46.37 12.23 Favored 'General case' 0 N--CA 1.45 -0.435 0 O-C-N 124.102 0.877 . . . . 0.0 113.308 -178.475 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.476 ' HB2' ' CD1' ' A' ' 29' ' ' TYR . 21.7 m80 -85.12 -36.48 21.08 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.196 0.935 . . . . 0.0 112.912 -178.485 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.476 ' CD1' ' HB2' ' A' ' 28' ' ' HIS . 45.1 m-85 -125.12 60.63 29.67 Favored Pre-proline 0 C--N 1.323 -0.572 0 N-CA-C 114.878 1.436 . . . . 0.0 114.878 -178.225 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_endo -70.09 -2.42 10.37 Favored 'Trans proline' 0 C--N 1.359 1.099 0 O-C-N 123.768 1.404 . . . . 0.0 112.892 179.562 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -105.16 17.79 23.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.228 0.955 . . . . 0.0 111.581 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.414 ' CD2' HG23 ' A' ' 52' ' ' VAL 0.257 3.5 m-85 -124.3 128.81 49.69 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.203 -0.908 . . . . 0.0 110.126 179.837 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -87.23 98.46 11.33 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 177.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 3.9 t -83.47 151.43 3.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.516 1.135 . . . . 0.0 110.39 -179.362 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -136.92 127.41 26.75 Favored 'General case' 0 C--N 1.329 -0.312 0 O-C-N 124.422 1.076 . . . . 0.0 110.875 179.495 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.642 ' CE2' HG13 ' A' ' 18' ' ' VAL . 8.1 m-85 -100.74 130.91 46.84 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.255 0.972 . . . . 0.0 110.62 179.704 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.412 HD11 ' HE1' ' A' ' 55' ' ' PHE . 0.6 OUTLIER -147.37 153.46 44.23 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.38 1.05 . . . . 0.0 109.3 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -77.31 154.36 32.03 Favored 'Trans proline' 0 C--N 1.359 1.098 0 O-C-N 124.409 1.741 . . . . 0.0 111.241 -179.544 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.419 ' HG2' ' N ' ' A' ' 40' ' ' GLY . 81.5 tt0 -52.83 163.67 0.45 Allowed 'General case' 0 C--N 1.329 -0.316 0 O-C-N 124.7 1.25 . . . . 0.0 109.69 179.575 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.419 ' N ' ' HG2' ' A' ' 39' ' ' GLU . . . 108.41 -4.86 33.18 Favored Glycine 0 CA--C 1.527 0.823 0 N-CA-C 116.32 1.288 . . . . 0.0 116.32 178.448 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.438 ' HB2' ' HD2' ' A' ' 42' ' ' PRO . 3.0 p -87.48 160.51 47.79 Favored Pre-proline 0 C--O 1.238 0.453 0 C-N-CA 120.015 -0.674 . . . . 0.0 109.184 177.743 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.438 ' HD2' ' HB2' ' A' ' 41' ' ' SER . 36.9 Cg_endo -62.84 -97.24 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.097 0 O-C-N 124.265 1.666 . . . . 0.0 111.793 -179.557 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -151.18 170.36 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 123.907 0.754 . . . . 0.0 109.426 -178.345 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.8 p -73.65 91.75 1.9 Allowed 'General case' 0 CA--C 1.534 0.332 0 O-C-N 124.699 1.249 . . . . 0.0 108.529 177.415 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 85.7 mt -76.18 -66.92 0.74 Allowed 'General case' 0 C--O 1.239 0.542 0 CA-C-N 114.884 -1.053 . . . . 0.0 113.426 -177.3 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.65 153.49 2.33 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.468 -179.703 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.442 HD21 ' HE2' ' A' ' 49' ' ' TYR . 3.2 tp -98.17 87.64 3.98 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 114.841 -1.072 . . . . 0.0 109.708 -179.696 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.469 ' HB3' ' CB ' ' A' ' 51' ' ' ARG . 0.1 OUTLIER -123.92 92.93 3.78 Favored 'General case' 0 CA--C 1.54 0.591 0 O-C-N 124.452 1.095 . . . . 0.0 109.106 179.36 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.442 ' HE2' HD21 ' A' ' 47' ' ' LEU . 68.3 m-85 -68.24 -27.15 66.11 Favored 'General case' 0 N--CA 1.451 -0.412 0 O-C-N 124.539 1.149 . . . . 0.0 112.588 -178.86 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -86.55 -12.76 47.84 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.608 1.192 . . . . 0.0 111.659 179.554 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.805 HH21 HH22 ' A' ' 53' ' ' ARG . 9.2 ttp180 -102.22 128.69 48.63 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 123.912 0.757 . . . . 0.0 109.852 -179.427 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.414 HG23 ' CD2' ' A' ' 32' ' ' TYR . 8.5 t -117.03 144.03 25.8 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.41 0 O-C-N 124.395 1.06 . . . . 0.0 109.239 179.342 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.805 HH22 HH21 ' A' ' 51' ' ' ARG . 0.3 OUTLIER -120.65 134.8 55.25 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 114.607 -1.178 . . . . 0.0 109.765 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.479 ' HB ' ' CD1' ' A' ' 36' ' ' PHE . 14.4 t -125.01 142.1 42.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.694 1.246 . . . . 0.0 109.221 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.412 ' HE1' HD11 ' A' ' 37' ' ' LEU . 22.4 m-30 -116.72 140.89 48.9 Favored 'General case' 0 N--CA 1.451 -0.419 0 O-C-N 124.562 1.164 . . . . 0.0 112.027 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 17.3 p90 -134.1 168.09 19.45 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 114.912 -1.04 . . . . 0.0 110.165 179.426 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.45 ' HA ' ' HD3' ' A' ' 58' ' ' PRO . 15.4 t-20 -84.22 141.16 39.73 Favored Pre-proline 0 C--N 1.325 -0.461 0 CA-C-N 115.402 -0.817 . . . . 0.0 111.957 -178.388 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.45 ' HD3' ' HA ' ' A' ' 57' ' ' ASN . 28.9 Cg_endo -78.43 81.35 2.77 Favored 'Trans proline' 0 C--N 1.366 1.491 0 O-C-N 123.885 1.466 . . . . 0.0 113.841 -179.163 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.41 ' C ' HG22 ' A' ' 60' ' ' THR . . . 127.25 55.82 0.13 Allowed Glycine 0 CA--C 1.529 0.957 0 N-CA-C 116.159 1.224 . . . . 0.0 116.159 178.181 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.41 HG22 ' C ' ' A' ' 59' ' ' GLY . 0.0 OUTLIER 168.05 -35.89 0.0 OUTLIER 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 123.745 0.818 . . . . 0.0 109.542 178.447 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 75.67 75.96 0.1 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 125.519 1.762 . . . . 0.0 109.114 -179.776 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.488 HG22 HG22 ' A' ' 17' ' ' THR . 74.2 t -144.19 134.86 21.03 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.39 0 CA-C-N 114.502 -1.226 . . . . 0.0 109.085 179.644 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 69.3 t -82.31 89.02 2.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 O-C-N 124.435 1.084 . . . . 0.0 109.223 179.785 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 47.0 p30 -97.36 20.92 10.8 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.444 1.09 . . . . 0.0 110.577 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 48.5 m-70 -138.46 123.98 19.56 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.313 1.008 . . . . 0.0 109.467 179.682 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.546 HG22 HG21 ' A' ' 14' ' ' VAL . 20.4 t -60.88 113.55 8.03 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.19 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_endo -78.1 149.85 25.73 Favored 'Trans proline' 0 C--N 1.359 1.091 0 O-C-N 124.52 1.8 . . . . 0.0 110.657 179.565 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 3.4 p-80 -145.51 162.64 36.92 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.367 1.042 . . . . 0.0 110.309 -179.723 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.499 HG23 ' O ' ' A' ' 8' ' ' LYS . 1.4 t -86.96 156.09 3.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 114.915 -1.039 . . . . 0.0 109.421 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 O-C-N 124.522 1.139 . . . . 0.0 111.109 -179.955 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 3.3 m . . . . . 0 N--CA 1.453 -0.302 0 CA-C-O 120.666 0.269 . . . . 0.0 110.337 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -77.73 -135.35 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.134 . . . . 0.0 109.766 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 84.8 m-85 57.15 -176.76 0.06 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 123.777 0.673 . . . . 0.0 111.128 -179.533 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -142.6 8.17 2.28 Favored Glycine 0 CA--C 1.528 0.891 0 O-C-N 124.425 1.078 . . . . 0.0 113.319 -178.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.7 t -52.54 155.63 2.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.31 0.653 . . . . 0.0 110.041 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -121.98 172.52 8.15 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.559 1.162 . . . . 0.0 109.807 179.646 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 16.3 mt 71.23 113.5 0.05 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.55 1.156 . . . . 0.0 109.561 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 9.8 mttt -75.56 87.58 2.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.382 1.051 . . . . 0.0 110.076 -179.488 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -151.42 148.55 28.24 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.096 -0.956 . . . . 0.0 109.333 -179.552 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -136.15 75.09 54.3 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.65 1.218 . . . . 0.0 111.049 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.474 ' HA ' HG13 ' A' ' 66' ' ' VAL . 19.4 Cg_endo -70.78 -15.48 33.27 Favored 'Trans proline' 0 C--N 1.368 1.574 0 O-C-N 123.509 1.268 . . . . 0.0 113.146 -179.162 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 19.7 tp10 -75.1 -17.38 60.45 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.032 0.832 . . . . 0.0 111.683 -179.637 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.552 HG13 ' HE2' ' A' ' 16' ' ' LYS . 1.3 t -91.23 48.82 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.245 0.966 . . . . 0.0 109.737 -179.579 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 1.6 t -120.26 130.5 74.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.352 1.032 . . . . 0.0 109.289 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 102.29 -20.8 43.64 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.531 1.145 . . . . 0.0 111.198 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.552 ' HE2' HG13 ' A' ' 13' ' ' VAL . 4.0 mtmt -75.24 -159.2 0.09 Allowed 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.658 -0.867 . . . . 0.0 108.658 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.683 HG22 HG22 ' A' ' 62' ' ' VAL . 31.0 p -129.81 168.45 16.55 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.392 1.058 . . . . 0.0 109.878 179.423 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.729 HG13 ' CE2' ' A' ' 36' ' ' PHE . 26.3 t -48.0 -49.31 11.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.431 1.082 . . . . 0.0 112.154 -179.468 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -54.05 -41.09 67.73 Favored 'General case' 0 C--O 1.239 0.533 0 N-CA-C 113.217 0.821 . . . . 0.0 113.217 -178.465 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 19.0 mm-40 -64.28 -50.52 67.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.17 0.919 . . . . 0.0 110.213 -179.401 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.11 -6.29 16.93 Favored 'General case' 0 N--CA 1.452 -0.335 0 O-C-N 124.662 1.226 . . . . 0.0 113.284 -179.59 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.662 ' HG3' HH11 ' A' ' 22' ' ' ARG . 3.2 tpm_? -81.28 -47.42 13.37 Favored 'General case' 0 C--N 1.321 -0.663 0 O-C-N 124.904 1.377 . . . . 0.0 109.335 179.368 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -75.68 -23.13 56.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 114.48 -1.236 . . . . 0.0 110.346 179.676 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 41.0 t80 -68.55 -49.35 60.19 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.344 1.027 . . . . 0.0 111.808 -179.65 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -70.29 -25.22 63.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 111.097 -179.762 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 31.2 m -69.91 -30.26 67.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.35 1.031 . . . . 0.0 110.378 179.833 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 18.3 mt -85.21 -46.46 11.04 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 114.226 1.195 . . . . 0.0 114.226 -178.222 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 22.5 m-70 -85.94 -52.62 5.61 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.067 0.854 . . . . 0.0 113.108 -178.116 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 49.2 m-85 -119.31 76.1 16.84 Favored Pre-proline 0 C--N 1.323 -0.546 0 N-CA-C 114.022 1.119 . . . . 0.0 114.022 -178.416 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_endo -82.63 12.39 2.91 Favored 'Trans proline' 0 C--N 1.358 1.055 0 O-C-N 123.925 1.487 . . . . 0.0 112.595 179.714 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -123.86 23.48 8.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.316 1.01 . . . . 0.0 110.157 179.781 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 1.2 m-30 -121.87 133.73 54.87 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 114.957 -1.019 . . . . 0.0 110.068 179.831 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -86.9 94.85 9.7 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 177.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.437 HG22 ' HB ' ' A' ' 52' ' ' VAL . 2.9 t -84.77 149.49 4.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.537 1.148 . . . . 0.0 111.003 -179.114 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.45 ' HE2' HH11 ' A' ' 51' ' ' ARG . 19.7 m-85 -133.14 162.16 32.48 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 114.864 -1.062 . . . . 0.0 110.47 179.388 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.729 ' CE2' HG13 ' A' ' 18' ' ' VAL . 28.4 m-85 -137.8 117.25 12.86 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.706 1.253 . . . . 0.0 111.088 -179.89 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.7 mt -133.6 160.52 68.29 Favored Pre-proline 0 C--N 1.323 -0.544 0 O-C-N 124.196 0.935 . . . . 0.0 108.88 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.428 ' HB3' ' HG3' ' A' ' 58' ' ' PRO . 19.2 Cg_endo -77.09 151.78 30.78 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.475 1.776 . . . . 0.0 111.46 -179.406 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.425 ' HG2' ' N ' ' A' ' 40' ' ' GLY . 83.8 tt0 -52.07 163.67 0.35 Allowed 'General case' 0 C--N 1.328 -0.329 0 O-C-N 124.758 1.286 . . . . 0.0 109.828 179.835 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.425 ' N ' ' HG2' ' A' ' 39' ' ' GLU . . . 109.99 -8.31 31.42 Favored Glycine 0 CA--C 1.527 0.805 0 N-CA-C 115.65 1.02 . . . . 0.0 115.65 178.554 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -89.09 154.31 49.43 Favored Pre-proline 0 C--O 1.238 0.494 0 C-N-CA 120.034 -0.666 . . . . 0.0 109.372 178.032 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 26.2 Cg_endo -60.68 -93.37 0.0 OUTLIER 'Trans proline' 0 C--N 1.358 1.067 0 O-C-N 124.075 1.566 . . . . 0.0 112.045 -179.849 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.542 HG13 ' N ' ' A' ' 44' ' ' THR . 1.1 p -151.69 -158.34 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 123.942 0.776 . . . . 0.0 109.037 -178.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.542 ' N ' HG13 ' A' ' 43' ' ' VAL . 0.9 OUTLIER -83.81 90.89 7.42 Favored 'General case' 0 N--CA 1.448 -0.542 0 O-C-N 124.983 1.427 . . . . 0.0 110.197 178.59 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 47.9 mt -72.92 -68.73 0.46 Allowed 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 115.012 -0.995 . . . . 0.0 111.949 -179.059 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -50.33 -30.98 13.3 Favored 'General case' 0 N--CA 1.447 -0.616 0 O-C-N 124.082 0.864 . . . . 0.0 110.849 -179.605 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.521 HD11 ' CE1' ' A' ' 49' ' ' TYR . 1.2 tp 64.11 99.14 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.31 1.006 . . . . 0.0 110.942 179.46 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.466 ' HB3' ' CB ' ' A' ' 51' ' ' ARG . 0.0 OUTLIER -127.24 115.95 19.83 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 114.787 -1.097 . . . . 0.0 108.8 179.314 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.521 ' CE1' HD11 ' A' ' 47' ' ' LEU . 3.2 m-85 -65.81 -40.94 92.33 Favored 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 114.559 1.318 . . . . 0.0 114.559 -177.569 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.9 p-10 -88.71 -12.98 40.76 Favored 'General case' 0 C--N 1.323 -0.575 0 O-C-N 124.783 1.302 . . . . 0.0 112.1 -179.415 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.466 ' CB ' ' HB3' ' A' ' 48' ' ' ARG . 8.7 ttm180 -97.87 114.4 26.45 Favored 'General case' 0 C--N 1.323 -0.584 0 O-C-N 124.117 0.885 . . . . 0.0 109.751 -179.868 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.855 HG22 HG22 ' A' ' 69' ' ' VAL . 48.7 t -107.11 112.33 39.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.376 1.048 . . . . 0.0 110.345 -179.79 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.494 ' HD3' HG22 ' A' ' 44' ' ' THR . 13.3 mtp180 -88.71 119.12 28.89 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.057 -0.974 . . . . 0.0 110.527 179.589 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 11.3 t -104.53 157.1 5.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.222 0.951 . . . . 0.0 110.126 -179.337 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.428 ' HB2' ' HB2' ' A' ' 65' ' ' HIS . 10.6 m-85 -126.77 134.1 50.68 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 114.886 -1.052 . . . . 0.0 110.826 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 20.1 p90 -137.58 166.01 24.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.319 1.012 . . . . 0.0 110.365 179.713 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -92.68 123.62 61.21 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.511 -179.517 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.428 ' HG3' ' HB3' ' A' ' 38' ' ' PRO . 32.9 Cg_endo -81.3 10.37 3.46 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.345 1.708 . . . . 0.0 112.475 -179.582 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -89.22 -64.36 1.29 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.234 0.959 . . . . 0.0 110.925 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 14.9 t -112.09 5.57 18.7 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.496 0.762 . . . . 0.0 112.399 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 16.6 m-80 64.91 66.74 0.56 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 123.934 0.771 . . . . 0.0 109.478 179.693 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.683 HG22 HG22 ' A' ' 17' ' ' THR . 23.0 t -145.34 135.71 18.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 O-C-N 124.497 1.123 . . . . 0.0 110.052 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 95.1 t -73.72 139.19 19.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.428 1.08 . . . . 0.0 109.034 179.141 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -148.02 29.48 0.89 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.446 1.091 . . . . 0.0 110.079 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.428 ' HB2' ' HB2' ' A' ' 55' ' ' PHE . 85.6 m-70 -148.51 125.65 11.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.372 1.045 . . . . 0.0 109.793 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.474 HG13 ' HA ' ' A' ' 11' ' ' PRO . 12.9 t -66.09 113.64 13.19 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.584 1.177 . . . . 0.0 109.141 179.774 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -83.6 141.79 10.05 Favored 'Trans proline' 0 C--N 1.359 1.096 0 O-C-N 124.504 1.792 . . . . 0.0 110.571 179.601 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 4.3 p-80 -147.88 163.64 36.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.315 1.009 . . . . 0.0 109.804 -179.766 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.855 HG22 HG22 ' A' ' 52' ' ' VAL . 1.5 t -85.1 146.84 6.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.346 1.029 . . . . 0.0 109.825 179.707 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.081 0 O-C-N 124.446 1.091 . . . . 0.0 110.957 179.988 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.451 -0.381 0 N-CA-C 112.272 0.471 . . . . 0.0 112.272 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -77.12 175.71 9.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.122 0.889 . . . . 0.0 110.248 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -160.0 -42.82 0.05 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 0.0 111.168 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 106.01 5.12 38.47 Favored Glycine 0 CA--C 1.528 0.897 0 O-C-N 124.44 1.087 . . . . 0.0 112.814 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.5 t -131.86 56.43 1.82 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.159 0.564 . . . . 0.0 109.85 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -143.7 94.65 2.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.215 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -53.53 119.12 4.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.361 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.511 ' O ' HG23 ' A' ' 69' ' ' VAL . 4.1 mttp -65.68 117.92 8.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.359 1.037 . . . . 0.0 109.305 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 6.3 t -144.48 151.16 38.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.573 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -126.79 97.66 32.56 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.598 1.186 . . . . 0.0 111.233 -179.799 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 11.6 Cg_endo -71.58 -10.33 26.53 Favored 'Trans proline' 0 C--N 1.364 1.363 0 O-C-N 124.282 1.675 . . . . 0.0 112.851 -179.394 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.8 -7.2 51.27 Favored 'General case' 0 N--CA 1.449 -0.486 0 O-C-N 124.349 1.031 . . . . 0.0 111.52 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 3.9 t -103.8 30.82 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.095 0.872 . . . . 0.0 109.738 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.1 t -102.38 111.66 32.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 O-C-N 124.413 1.071 . . . . 0.0 109.272 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 121.05 -25.17 7.18 Favored Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.455 1.097 . . . . 0.0 111.472 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 56.4 mttt -77.54 162.05 27.42 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.482 0.754 . . . . 0.0 109.133 -179.294 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.715 HG22 HG22 ' A' ' 62' ' ' VAL . 80.9 p -96.65 171.99 8.19 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.065 0.853 . . . . 0.0 110.298 179.862 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.618 HG13 ' CD1' ' A' ' 36' ' ' PHE . 20.1 t -49.41 -59.07 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 111.667 -179.844 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -49.29 -36.95 22.26 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.245 0.966 . . . . 0.0 111.459 -178.842 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 6.2 mm-40 -64.63 -51.51 62.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.345 1.028 . . . . 0.0 109.857 179.73 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.56 -2.08 15.7 Favored 'General case' 0 N--CA 1.453 -0.315 0 O-C-N 124.817 1.323 . . . . 0.0 112.945 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.404 ' HD3' ' HA ' ' A' ' 22' ' ' ARG . 0.0 OUTLIER -82.26 -46.2 13.99 Favored 'General case' 0 C--N 1.321 -0.634 0 O-C-N 124.566 1.167 . . . . 0.0 109.389 179.771 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -73.72 -29.32 62.19 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 114.671 -1.15 . . . . 0.0 110.661 179.828 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -74.05 -48.22 31.42 Favored 'General case' 0 N--CA 1.451 -0.411 0 O-C-N 124.259 0.974 . . . . 0.0 112.126 -179.422 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.669 ' CG ' HG21 ' A' ' 34' ' ' VAL . 1.7 m-85 -64.65 -25.03 67.78 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.523 1.139 . . . . 0.0 111.366 -179.799 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 29.7 m -77.68 -32.68 53.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.363 1.04 . . . . 0.0 112.363 -179.555 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 21.0 mt -84.57 -47.95 10.04 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 113.649 0.981 . . . . 0.0 113.649 -178.249 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 52.0 m80 -86.0 -35.41 20.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.077 0.861 . . . . 0.0 112.795 -178.456 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 38.7 m-85 -121.99 55.87 6.53 Favored Pre-proline 0 C--N 1.324 -0.514 0 N-CA-C 113.545 0.943 . . . . 0.0 113.545 -178.564 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_endo -65.24 -27.02 56.35 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 123.977 1.514 . . . . 0.0 114.932 -178.579 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -94.56 19.36 9.9 Favored 'General case' 0 N--CA 1.449 -0.481 0 O-C-N 123.977 0.798 . . . . 0.0 112.223 -179.421 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . 0.258 0.6 OUTLIER -123.67 127.12 47.75 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 114.956 -1.02 . . . . 0.0 109.333 178.998 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -85.89 100.33 12.01 Favored 'General case' 0 C--N 1.322 -0.596 0 O-C-N 124.44 1.088 . . . . 0.0 108.665 178.69 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.669 HG21 ' CG ' ' A' ' 25' ' ' PHE . 2.1 t -86.18 144.04 10.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.384 1.053 . . . . 0.0 109.915 -179.567 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.521 ' CE2' ' HD3' ' A' ' 51' ' ' ARG . 2.6 m-30 -115.22 165.43 12.94 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.473 1.108 . . . . 0.0 110.528 179.219 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.618 ' CD1' HG13 ' A' ' 18' ' ' VAL . 16.4 m-85 -148.73 111.53 4.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.676 1.235 . . . . 0.0 110.837 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.845 HD12 HH22 ' A' ' 53' ' ' ARG . 0.4 OUTLIER -144.03 174.93 3.12 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.338 1.024 . . . . 0.0 109.0 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.467 ' CD ' ' HB3' ' A' ' 37' ' ' LEU . 4.2 Cg_endo -72.31 160.96 45.75 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.573 1.828 . . . . 0.0 110.737 179.572 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.35 134.03 35.24 Favored 'General case' 0 C--N 1.323 -0.565 0 O-C-N 124.477 1.111 . . . . 0.0 111.632 -179.392 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 83.11 13.04 78.15 Favored Glycine 0 CA--C 1.528 0.868 0 O-C-N 124.241 0.963 . . . . 0.0 113.215 179.03 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.465 ' CB ' ' HD3' ' A' ' 42' ' ' PRO . 0.8 OUTLIER -88.15 -55.22 0.33 Allowed Pre-proline 0 N--CA 1.453 -0.296 0 O-C-N 124.421 0.718 . . . . 0.0 111.156 178.11 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.465 ' HD3' ' CB ' ' A' ' 41' ' ' SER . 17.9 Cg_endo -81.31 -166.62 0.42 Allowed 'Trans proline' 0 C--N 1.358 1.033 0 O-C-N 124.135 1.598 . . . . 0.0 110.952 -179.633 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.534 HG13 ' N ' ' A' ' 44' ' ' THR . 0.8 OUTLIER -134.9 -159.06 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.317 1.011 . . . . 0.0 109.117 179.79 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.534 ' N ' HG13 ' A' ' 43' ' ' VAL . 2.4 p -80.87 97.0 7.2 Favored 'General case' 0 N--CA 1.449 -0.507 0 O-C-N 125.192 1.558 . . . . 0.0 111.011 179.199 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.515 HD23 ' O ' ' A' ' 44' ' ' THR . 38.3 mt -129.72 70.54 1.43 Allowed 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.018 0.823 . . . . 0.0 109.217 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.486 ' O ' ' OXT' ' A' ' 70' ' ' GLY . 4.2 p30 -90.53 20.84 4.3 Favored 'General case' 0 N--CA 1.446 -0.663 0 CA-C-N 114.721 -1.127 . . . . 0.0 110.906 -179.426 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.476 HD23 ' HE ' ' A' ' 48' ' ' ARG . 1.0 OUTLIER -81.74 14.15 2.81 Favored 'General case' 0 N--CA 1.448 -0.527 0 O-C-N 124.004 0.815 . . . . 0.0 112.691 -178.949 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.476 ' HE ' HD23 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -136.0 93.86 2.98 Favored 'General case' 0 C--N 1.322 -0.588 0 O-C-N 123.794 0.684 . . . . 0.0 109.593 -179.398 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 52.8 m-85 -74.88 -22.64 58.53 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 115.105 -0.952 . . . . 0.0 111.124 -179.737 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 29.1 p-10 -87.53 -5.52 58.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.355 1.034 . . . . 0.0 111.475 177.808 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.521 ' HD3' ' CE2' ' A' ' 35' ' ' TYR . 7.0 ttm180 -117.41 117.81 30.49 Favored 'General case' 0 C--N 1.322 -0.593 0 O-C-N 123.84 0.712 . . . . 0.0 109.264 -179.084 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.628 HG22 HG13 ' A' ' 69' ' ' VAL . 1.4 t -103.09 118.23 49.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.393 1.058 . . . . 0.0 109.98 -179.548 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.845 HH22 HD12 ' A' ' 37' ' ' LEU . 14.0 mtp85 -87.5 135.55 33.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.269 0.981 . . . . 0.0 111.149 179.459 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.487 HG13 ' HB3' ' A' ' 67' ' ' PRO . 16.8 t -125.72 156.71 35.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.202 0.939 . . . . 0.0 109.639 -179.672 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -129.97 143.78 50.98 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.444 1.09 . . . . 0.0 111.487 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 11.5 p90 -144.38 168.09 20.91 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 114.85 -1.068 . . . . 0.0 110.364 179.585 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.424 ' HA ' ' HD3' ' A' ' 58' ' ' PRO . 2.5 t-20 -84.97 136.78 38.18 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.405 1.066 . . . . 0.0 109.553 -179.658 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 57' ' ' ASN . 38.9 Cg_endo -83.29 13.23 2.72 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.254 1.66 . . . . 0.0 112.479 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -120.65 -65.02 0.26 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.468 1.105 . . . . 0.0 111.949 -179.641 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 9.9 t -88.97 -9.61 50.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.415 0.715 . . . . 0.0 112.549 -179.37 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 11.8 m120 58.74 63.34 1.69 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.26 0.975 . . . . 0.0 108.951 -179.608 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.715 HG22 HG22 ' A' ' 17' ' ' THR . 88.4 t -140.22 152.01 21.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 O-C-N 124.642 1.214 . . . . 0.0 110.058 -179.583 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 31.7 t -84.14 113.43 22.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.314 1.009 . . . . 0.0 109.207 179.82 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 2.0 p30 -105.31 -42.61 5.21 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.598 1.186 . . . . 0.0 110.113 -179.814 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 16.4 m-70 -85.77 134.78 33.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.372 1.045 . . . . 0.0 110.055 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 45.5 t -65.87 115.81 26.37 Favored Pre-proline 0 C--N 1.327 -0.396 0 O-C-N 124.396 1.06 . . . . 0.0 109.46 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.487 ' HB3' HG13 ' A' ' 54' ' ' VAL . 20.4 Cg_endo -74.97 142.39 27.89 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.556 1.819 . . . . 0.0 110.836 179.509 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 1.2 p80 -149.4 163.26 38.24 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.416 1.072 . . . . 0.0 109.779 -179.719 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.628 HG13 HG22 ' A' ' 52' ' ' VAL . 0.8 OUTLIER -87.41 145.76 7.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.47 1.106 . . . . 0.0 109.359 179.859 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.486 ' OXT' ' O ' ' A' ' 46' ' ' ASP . . . . . . . . 0 CA--C 1.53 1.023 0 O-C-N 124.48 1.113 . . . . 0.0 110.967 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 35.5 p . . . . . 0 C--O 1.234 0.265 0 N-CA-C 109.769 -0.456 . . . . 0.0 109.769 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.429 ' HG3' ' HE2' ' A' ' 8' ' ' LYS . 2.5 mt-10 -136.23 -170.73 2.72 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.242 0.964 . . . . 0.0 110.145 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -112.16 -30.84 7.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.386 1.054 . . . . 0.0 112.479 -179.365 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -75.92 -11.13 84.91 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.397 1.061 . . . . 0.0 112.849 -179.465 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.4 t 48.38 23.7 0.61 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.401 0.706 . . . . 0.0 111.656 179.143 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -98.16 -176.53 3.45 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.283 0.989 . . . . 0.0 110.336 -179.762 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 9.4 mp -58.46 137.97 56.98 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.651 1.219 . . . . 0.0 109.205 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.444 ' HA ' ' CE ' ' A' ' 8' ' ' LYS . 12.4 mmmt -72.29 104.17 3.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.561 1.163 . . . . 0.0 109.444 -179.721 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 87.5 p -136.96 121.06 17.79 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.495 1.122 . . . . 0.0 109.691 179.801 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -126.72 97.11 33.8 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 111.028 -179.711 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_endo -75.34 -4.07 14.8 Favored 'Trans proline' 0 C--N 1.365 1.435 0 O-C-N 124.102 1.58 . . . . 0.0 112.985 -179.789 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -76.3 -14.94 60.09 Favored 'General case' 0 N--CA 1.448 -0.55 0 O-C-N 124.232 0.957 . . . . 0.0 112.258 -179.646 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 4.1 t -93.75 32.97 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 123.971 0.794 . . . . 0.0 109.996 -179.802 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 3.0 t -103.55 102.62 13.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.327 1.017 . . . . 0.0 109.027 179.735 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 127.65 -21.53 5.63 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.437 1.086 . . . . 0.0 111.561 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 16.3 mttm -75.37 162.16 28.63 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 -179.74 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.713 HG22 HG22 ' A' ' 62' ' ' VAL . 46.1 p -95.99 164.85 12.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.05 0.844 . . . . 0.0 110.555 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.51 HG13 ' CD1' ' A' ' 36' ' ' PHE . 12.1 t -49.23 -57.56 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.369 1.043 . . . . 0.0 111.4 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -51.2 -38.52 52.84 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.141 -0.936 . . . . 0.0 111.339 -179.019 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 21.2 mm-40 -63.5 -53.05 58.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 110.128 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.52 0.31 12.87 Favored 'General case' 0 C--N 1.327 -0.373 0 O-C-N 124.693 1.246 . . . . 0.0 112.988 -179.694 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.409 ' HA ' ' HD3' ' A' ' 22' ' ' ARG . 17.2 tpp85 -84.54 -46.46 11.57 Favored 'General case' 0 C--N 1.323 -0.576 0 O-C-N 124.418 1.074 . . . . 0.0 109.98 -179.621 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -75.15 -29.6 60.51 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 114.774 -1.103 . . . . 0.0 110.493 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 41.2 t80 -66.13 -48.24 71.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 111.006 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.572 ' CD2' HG21 ' A' ' 34' ' ' VAL . 3.7 m-85 -71.47 -24.38 61.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.145 . . . . 0.0 111.846 -179.775 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 13.8 m -76.81 -33.51 57.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.267 0.979 . . . . 0.0 112.022 -179.444 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 10.3 mt -86.68 -47.31 9.26 Favored 'General case' 0 N--CA 1.45 -0.461 0 N-CA-C 113.792 1.034 . . . . 0.0 113.792 -178.278 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.503 ' HB2' ' CD1' ' A' ' 29' ' ' TYR . 81.1 m-70 -86.47 -31.97 21.06 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.097 0.873 . . . . 0.0 113.292 -177.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.503 ' CD1' ' HB2' ' A' ' 28' ' ' HIS . 16.2 m-85 -124.61 63.38 36.6 Favored Pre-proline 0 C--O 1.24 0.578 0 N-CA-C 114.716 1.376 . . . . 0.0 114.716 -178.215 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_endo -72.22 -0.03 8.02 Favored 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 123.534 1.281 . . . . 0.0 113.129 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 7.8 pm0 -116.51 22.64 12.62 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.194 0.934 . . . . 0.0 110.461 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.402 ' CD2' ' HB3' ' A' ' 29' ' ' TYR 0.271 3.2 m-85 -128.31 123.08 33.11 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 114.885 -1.052 . . . . 0.0 110.125 -179.34 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -90.73 105.3 17.73 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.391 1.057 . . . . 0.0 108.797 179.004 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.572 HG21 ' CD2' ' A' ' 25' ' ' PHE . 2.4 t -86.93 150.05 3.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 O-C-N 124.418 1.073 . . . . 0.0 109.484 -179.498 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.495 ' CE2' ' HD2' ' A' ' 51' ' ' ARG . 1.0 OUTLIER -126.0 103.25 7.64 Favored 'General case' 0 C--N 1.328 -0.354 0 O-C-N 124.299 1.0 . . . . 0.0 110.833 179.51 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.51 ' CD1' HG13 ' A' ' 18' ' ' VAL . 18.7 m-85 -92.11 120.69 32.95 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.387 1.054 . . . . 0.0 110.733 179.662 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.438 ' HB3' ' HD2' ' A' ' 38' ' ' PRO . 54.7 mt -147.2 161.31 36.95 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.25 0.969 . . . . 0.0 109.491 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.438 ' HD2' ' HB3' ' A' ' 37' ' ' LEU . 21.7 Cg_endo -76.68 137.36 18.03 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.465 1.771 . . . . 0.0 110.956 179.575 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.2 154.39 2.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 111.19 -179.882 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.419 ' C ' ' HD3' ' A' ' 42' ' ' PRO . . . 86.97 3.91 82.52 Favored Glycine 0 CA--C 1.527 0.843 0 O-C-N 124.327 1.017 . . . . 0.0 113.149 179.706 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 51.8 m -105.66 69.41 0.2 Allowed Pre-proline 0 C--O 1.26 1.61 0 N-CA-C 116.346 1.98 . . . . 0.0 116.346 178.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.419 ' HD3' ' C ' ' A' ' 40' ' ' GLY . 33.9 Cg_endo -70.98 141.42 40.23 Favored 'Trans proline' 0 C--N 1.36 1.154 0 C-N-CA 120.836 1.024 . . . . 0.0 110.672 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.552 HG13 ' N ' ' A' ' 44' ' ' THR . 1.0 OUTLIER -148.5 -159.25 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.27 0.981 . . . . 0.0 108.736 179.85 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.552 ' N ' HG13 ' A' ' 43' ' ' VAL . 17.2 p -78.17 118.92 20.87 Favored 'General case' 0 C--O 1.235 0.3 0 O-C-N 125.497 1.748 . . . . 0.0 109.721 178.027 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.515 HD22 ' HD3' ' A' ' 53' ' ' ARG . 20.0 mt -133.22 89.23 2.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.153 0.908 . . . . 0.0 109.618 -179.155 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -71.48 -169.98 0.47 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.439 1.087 . . . . 0.0 109.62 179.833 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 2.0 tt -85.62 78.79 9.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.268 0.98 . . . . 0.0 109.549 -179.687 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.45 ' CB ' ' HB3' ' A' ' 51' ' ' ARG . 0.1 OUTLIER -90.58 117.89 29.61 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 114.864 -1.062 . . . . 0.0 110.183 -179.83 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 76.0 m-85 -83.29 -37.6 23.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.424 1.078 . . . . 0.0 111.682 -179.566 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 32.6 p-10 -95.65 -6.73 39.39 Favored 'General case' 0 C--N 1.323 -0.573 0 O-C-N 124.635 1.21 . . . . 0.0 112.485 -178.892 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.495 ' HD2' ' CE2' ' A' ' 35' ' ' TYR . 1.6 ttp180 -100.37 121.08 40.93 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.049 0.843 . . . . 0.0 110.129 -178.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 1.246 HG22 ' CG2' ' A' ' 69' ' ' VAL . 62.0 t -109.11 120.81 61.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 O-C-N 124.308 1.005 . . . . 0.0 110.558 -179.732 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.878 ' NH2' ' OXT' ' A' ' 70' ' ' GLY . 4.0 mtm180 -89.32 114.83 26.27 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 114.946 -1.025 . . . . 0.0 110.48 179.681 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.482 HG11 ' CE1' ' A' ' 36' ' ' PHE . 50.0 t -110.67 153.24 12.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.274 0.984 . . . . 0.0 110.048 -179.684 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.449 ' HB2' ' CB ' ' A' ' 65' ' ' HIS . 4.2 m-85 -132.65 133.59 43.78 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 114.901 -1.045 . . . . 0.0 110.761 179.836 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.419 ' CD1' ' C ' ' A' ' 56' ' ' TYR . 3.6 p90 -137.08 167.28 21.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 110.805 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.405 ' ND2' ' HD2' ' A' ' 58' ' ' PRO . 17.4 t-20 -109.29 131.05 22.07 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.397 1.06 . . . . 0.0 109.565 -179.695 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.405 ' HD2' ' ND2' ' A' ' 57' ' ' ASN . 26.9 Cg_endo -79.06 -18.5 11.31 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.406 1.74 . . . . 0.0 111.748 179.606 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -50.19 -55.45 15.71 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.39 1.056 . . . . 0.0 111.57 -179.796 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 14.7 t -128.24 11.86 6.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.435 0.727 . . . . 0.0 112.063 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.6 m120 58.1 60.02 2.86 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 123.956 0.785 . . . . 0.0 109.916 179.567 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.713 HG22 HG22 ' A' ' 17' ' ' THR . 53.7 t -142.54 147.73 20.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 O-C-N 124.428 1.08 . . . . 0.0 109.707 179.815 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 30.6 t -81.38 137.31 21.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.387 1.054 . . . . 0.0 110.037 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 30.1 p30 -143.91 26.91 1.51 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.453 1.095 . . . . 0.0 109.293 179.811 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.449 ' CB ' ' HB2' ' A' ' 55' ' ' PHE . 8.7 m80 -141.54 128.9 21.17 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 114.886 -1.052 . . . . 0.0 109.114 179.688 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 83.9 t -58.92 111.44 3.69 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.759 1.287 . . . . 0.0 109.187 179.816 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.406 ' HB3' HG13 ' A' ' 54' ' ' VAL . 46.7 Cg_endo -82.02 95.42 0.9 Allowed 'Trans proline' 0 C--N 1.359 1.081 0 O-C-N 124.518 1.799 . . . . 0.0 111.388 -179.432 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -116.27 162.83 16.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.326 1.016 . . . . 0.0 109.492 179.849 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 1.246 ' CG2' HG22 ' A' ' 52' ' ' VAL . 65.3 t -100.06 158.76 3.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.554 1.159 . . . . 0.0 109.239 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.878 ' OXT' ' NH2' ' A' ' 53' ' ' ARG . . . . . . . . 0 CA--C 1.531 1.062 0 O-C-N 124.418 1.074 . . . . 0.0 110.947 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 9.3 t . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 110.401 -0.222 . . . . 0.0 110.401 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -94.2 24.76 4.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 110.349 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.44 ' CD1' ' N ' ' A' ' 3' ' ' PHE . 2.9 m-30 -104.83 175.54 5.46 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.491 1.119 . . . . 0.0 110.878 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 76.85 -3.31 56.97 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.434 1.084 . . . . 0.0 113.096 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.9 t 63.92 167.36 0.15 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.194 0.585 . . . . 0.0 110.659 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -92.45 73.15 5.2 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 114.932 -1.031 . . . . 0.0 110.446 -179.703 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -137.89 68.85 1.4 Allowed 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.407 1.067 . . . . 0.0 109.187 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.2 mtmp? -72.2 89.87 1.2 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.108 . . . . 0.0 109.77 -179.791 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 20.5 p -148.49 133.9 18.57 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.044 -0.98 . . . . 0.0 109.768 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -124.83 94.46 44.18 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.579 1.175 . . . . 0.0 111.013 -179.849 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.531 ' HA ' HG13 ' A' ' 66' ' ' VAL . 30.9 Cg_endo -77.48 -1.92 12.1 Favored 'Trans proline' 0 C--N 1.366 1.465 0 O-C-N 123.917 1.483 . . . . 0.0 113.114 -179.642 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -74.63 -21.42 59.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.267 0.98 . . . . 0.0 110.199 -179.486 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.618 HG13 ' HD2' ' A' ' 16' ' ' LYS . 3.4 t -90.73 44.92 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.457 1.098 . . . . 0.0 109.703 -179.738 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.1 t -111.37 111.04 34.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.138 179.773 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 118.99 -19.44 10.18 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.452 1.095 . . . . 0.0 111.483 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.618 ' HD2' HG13 ' A' ' 13' ' ' VAL . 10.5 mttt -73.11 -164.32 0.17 Allowed 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.699 HG22 HG22 ' A' ' 62' ' ' VAL . 72.9 p -127.59 168.21 15.3 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.503 1.127 . . . . 0.0 110.079 179.764 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 17.0 t -50.26 -59.77 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.454 1.097 . . . . 0.0 111.237 -179.756 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -51.59 -34.78 38.63 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.15 -0.932 . . . . 0.0 110.828 -179.107 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.95 -52.8 58.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.452 1.095 . . . . 0.0 109.72 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.62 -0.76 13.82 Favored 'General case' 0 C--N 1.328 -0.368 0 O-C-N 124.64 1.213 . . . . 0.0 113.061 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -83.4 -45.89 13.16 Favored 'General case' 0 C--N 1.322 -0.607 0 O-C-N 124.507 1.129 . . . . 0.0 109.785 -179.838 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -75.4 -25.18 57.4 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 114.76 -1.109 . . . . 0.0 110.596 -179.804 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 14.2 t80 -67.98 -53.86 22.89 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.402 1.064 . . . . 0.0 111.475 -179.801 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -67.81 -22.51 65.16 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.548 1.155 . . . . 0.0 112.046 -179.554 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 16.6 m -75.98 -32.86 59.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.34 1.025 . . . . 0.0 111.748 -179.649 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 16.2 mt -87.09 -45.64 10.53 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 113.734 1.013 . . . . 0.0 113.734 -178.304 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -84.45 -41.2 16.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.137 0.898 . . . . 0.0 113.005 -178.396 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 40.2 m-85 -124.41 66.04 43.27 Favored Pre-proline 0 C--O 1.241 0.646 0 N-CA-C 114.785 1.402 . . . . 0.0 114.785 -178.211 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -74.45 2.75 5.97 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 123.485 1.255 . . . . 0.0 113.338 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -112.79 21.27 15.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.302 1.001 . . . . 0.0 110.602 179.622 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.433 ' CD1' HG23 ' A' ' 52' ' ' VAL 0.26 3.4 m-85 -125.53 131.22 52.82 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 114.99 -1.005 . . . . 0.0 110.159 -179.779 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -89.09 97.63 11.31 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.353 1.033 . . . . 0.0 108.318 178.366 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 4.0 t -84.84 149.74 4.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.609 1.193 . . . . 0.0 110.93 -179.157 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 31.4 m-85 -142.09 123.47 14.84 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 114.758 -1.11 . . . . 0.0 110.451 179.586 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.505 ' O ' HD23 ' A' ' 37' ' ' LEU . 49.9 m-85 -99.88 130.92 46.11 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.331 1.019 . . . . 0.0 111.439 -179.521 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.681 HD11 ' NE ' ' A' ' 53' ' ' ARG . 0.7 OUTLIER -129.55 178.32 1.75 Allowed Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.196 0.935 . . . . 0.0 108.562 179.093 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.496 ' CD ' ' CB ' ' A' ' 37' ' ' LEU . 4.3 Cg_endo -69.91 159.27 53.89 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.455 1.766 . . . . 0.0 110.883 179.64 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.517 ' HB2' ' CD2' ' A' ' 65' ' ' HIS . 2.2 pp20? -79.91 132.13 36.0 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 114.827 -1.079 . . . . 0.0 112.586 -179.263 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 71.5 15.34 75.22 Favored Glycine 0 CA--C 1.529 0.965 0 CA-C-N 115.115 -0.948 . . . . 0.0 113.259 178.904 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 80.5 p -98.75 123.17 50.64 Favored Pre-proline 0 C--O 1.255 1.363 0 CA-C-O 117.475 -1.25 . . . . 0.0 108.884 178.04 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -71.82 155.98 57.45 Favored 'Trans proline' 0 C--N 1.358 1.063 0 O-C-N 123.652 1.343 . . . . 0.0 110.381 179.503 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.547 HG13 ' N ' ' A' ' 44' ' ' THR . 0.9 OUTLIER -149.6 -160.02 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.278 0.987 . . . . 0.0 109.161 -179.71 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.547 ' N ' HG13 ' A' ' 43' ' ' VAL . 2.7 p -79.68 102.35 8.91 Favored 'General case' 0 N--CA 1.453 -0.322 0 O-C-N 125.265 1.603 . . . . 0.0 109.623 177.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -91.41 52.58 2.11 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.328 1.018 . . . . 0.0 110.663 -178.811 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -72.27 -152.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.393 1.058 . . . . 0.0 109.156 179.603 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 8.3 tp -127.82 81.7 2.04 Favored 'General case' 0 N--CA 1.45 -0.437 0 O-C-N 124.143 0.902 . . . . 0.0 112.653 -179.047 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 1.205 ' HB2' ' OXT' ' A' ' 70' ' ' GLY . 5.2 mtt180 -93.91 124.17 37.74 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.052 -0.976 . . . . 0.0 109.13 179.046 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -83.5 -43.39 15.81 Favored 'General case' 0 CA--C 1.536 0.414 0 O-C-N 124.317 1.011 . . . . 0.0 112.443 -178.85 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 -95.01 -7.2 40.4 Favored 'General case' 0 C--N 1.323 -0.582 0 O-C-N 124.828 1.33 . . . . 0.0 112.449 -178.887 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.462 ' HB3' ' CB ' ' A' ' 48' ' ' ARG . 1.2 ttm180 -102.32 131.58 48.84 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.093 0.871 . . . . 0.0 112.021 -178.468 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 1.213 ' CG2' HG22 ' A' ' 69' ' ' VAL . 55.6 t -117.28 146.45 21.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.37 1.044 . . . . 0.0 108.828 179.029 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.681 ' NE ' HD11 ' A' ' 37' ' ' LEU . 0.0 OUTLIER -121.05 138.41 54.19 Favored 'General case' 0 C--N 1.323 -0.568 0 O-C-N 124.624 1.202 . . . . 0.0 110.113 -179.606 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 1.061 HG13 ' HB3' ' A' ' 67' ' ' PRO . 8.0 t -130.97 157.49 43.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.591 1.182 . . . . 0.0 109.802 -179.688 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.433 ' HB2' ' HB2' ' A' ' 65' ' ' HIS . 29.1 m-85 -127.11 140.23 52.41 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.421 1.076 . . . . 0.0 110.821 179.855 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.441 ' CD1' ' C ' ' A' ' 56' ' ' TYR . 6.4 p90 -145.52 165.52 28.37 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.646 1.216 . . . . 0.0 110.64 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -92.95 124.46 58.31 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.498 1.124 . . . . 0.0 109.481 -179.522 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 21.8 Cg_endo -77.65 6.01 4.8 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.326 1.698 . . . . 0.0 112.775 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -87.87 -73.67 1.28 Allowed Glycine 0 CA--C 1.529 0.966 0 N-CA-C 110.761 -0.936 . . . . 0.0 110.761 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.417 HG23 HG23 ' A' ' 62' ' ' VAL . 14.7 t -96.1 2.49 53.26 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.495 0.762 . . . . 0.0 112.38 179.593 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.9 m120 61.86 63.28 1.14 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 123.923 0.765 . . . . 0.0 109.776 179.682 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.699 HG22 HG22 ' A' ' 17' ' ' THR . 53.8 t -142.41 141.61 27.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 O-C-N 124.46 1.1 . . . . 0.0 109.999 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 67.9 t -80.99 139.77 17.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 115.014 -0.994 . . . . 0.0 109.252 179.774 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 27.0 p30 -142.11 24.28 1.99 Allowed 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.508 1.13 . . . . 0.0 110.151 -179.821 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.517 ' CD2' ' HB2' ' A' ' 39' ' ' GLU . 78.9 m-70 -148.15 135.19 20.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.406 1.066 . . . . 0.0 109.676 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.531 HG13 ' HA ' ' A' ' 11' ' ' PRO . 13.4 t -66.48 114.88 19.24 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.605 1.191 . . . . 0.0 109.053 179.722 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 1.061 ' HB3' HG13 ' A' ' 54' ' ' VAL . 28.7 Cg_endo -76.34 113.35 3.66 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.502 1.791 . . . . 0.0 111.059 -179.536 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 2.1 p80 -109.99 163.17 13.82 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.435 1.084 . . . . 0.0 109.732 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 1.213 HG22 ' CG2' ' A' ' 52' ' ' VAL . 43.3 t -85.78 143.07 12.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.594 1.184 . . . . 0.0 109.005 179.497 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 1.205 ' OXT' ' HB2' ' A' ' 48' ' ' ARG . . . . . . . . 0 CA--C 1.529 0.949 0 O-C-N 124.379 1.049 . . . . 0.0 110.981 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 1.7 m . . . . . 0 C--O 1.234 0.248 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -145.37 72.28 1.31 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.297 0.998 . . . . 0.0 110.258 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 4.9 m-30 -60.0 -33.97 72.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 111.039 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 80.14 5.74 89.51 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.448 1.092 . . . . 0.0 112.83 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.1 t -72.25 136.49 46.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.086 0.521 . . . . 0.0 110.415 -179.758 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.451 ' C ' HD22 ' A' ' 7' ' ' LEU . 10.3 mt-10 -140.52 126.01 18.96 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.401 1.063 . . . . 0.0 109.888 179.785 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.451 HD22 ' C ' ' A' ' 6' ' ' GLU . 4.2 mm? -112.83 33.74 4.83 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.531 1.144 . . . . 0.0 110.152 -179.676 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.555 ' HB3' ' CG2' ' A' ' 69' ' ' VAL . 18.9 mmtp -77.53 86.79 3.87 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.515 1.134 . . . . 0.0 109.147 -179.627 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 63.8 m -149.62 151.06 33.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.362 1.039 . . . . 0.0 110.387 -179.493 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -139.77 99.24 7.64 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.431 1.082 . . . . 0.0 110.754 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 29.3 Cg_endo -75.88 1.95 7.58 Favored 'Trans proline' 0 C--N 1.364 1.37 0 O-C-N 124.159 1.61 . . . . 0.0 112.839 -179.496 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -75.5 -24.13 56.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.206 0.941 . . . . 0.0 110.933 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -100.12 37.24 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.323 1.014 . . . . 0.0 109.284 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 4.0 t -102.71 101.83 12.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.456 1.097 . . . . 0.0 109.376 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 126.0 -20.35 6.36 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.532 1.145 . . . . 0.0 111.507 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.0 mttm -76.52 161.07 28.92 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 -179.486 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -93.36 166.62 12.2 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.061 0.851 . . . . 0.0 109.852 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.659 HG13 ' CZ ' ' A' ' 36' ' ' PHE . 22.8 t -45.2 -62.84 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.497 0 O-C-N 124.094 0.871 . . . . 0.0 112.444 -179.657 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -50.54 -37.27 38.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 123.967 0.792 . . . . 0.0 111.62 -179.016 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 9.0 mm100 -64.96 -49.68 69.37 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.329 1.018 . . . . 0.0 110.467 -179.698 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.26 -3.46 17.22 Favored 'General case' 0 C--N 1.328 -0.33 0 O-C-N 124.584 1.178 . . . . 0.0 112.98 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.486 HH21 ' HE2' ' A' ' 36' ' ' PHE . 0.6 OUTLIER -83.53 -46.69 12.14 Favored 'General case' 0 C--N 1.322 -0.627 0 O-C-N 124.652 1.22 . . . . 0.0 109.603 179.801 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -69.03 -25.85 64.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 114.728 -1.124 . . . . 0.0 110.247 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 75.2 t80 -74.23 -48.75 26.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.405 1.066 . . . . 0.0 111.387 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.558 ' CD2' HG21 ' A' ' 34' ' ' VAL . 3.6 m-85 -73.56 -22.16 60.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 111.877 -179.458 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 3.0 m -75.47 -33.51 60.84 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.324 1.015 . . . . 0.0 111.536 -179.706 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 17.5 mt -85.45 -45.39 11.88 Favored 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 114.234 1.198 . . . . 0.0 114.234 -178.159 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 12.0 m-70 -84.91 -39.77 17.8 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.113 0.883 . . . . 0.0 113.364 -178.121 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.422 ' HB3' ' HB2' ' A' ' 32' ' ' TYR . 33.1 m-85 -119.38 75.51 16.89 Favored Pre-proline 0 C--N 1.323 -0.583 0 N-CA-C 114.524 1.305 . . . . 0.0 114.524 -178.732 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 10.7 Cg_endo -76.23 5.41 4.61 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 123.689 1.362 . . . . 0.0 113.388 179.773 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -121.68 17.3 11.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.408 1.068 . . . . 0.0 111.384 179.792 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.422 ' HB2' ' HB3' ' A' ' 29' ' ' TYR 0.255 1.1 m-30 -123.39 118.39 27.37 Favored 'General case' 0 C--N 1.321 -0.649 0 O-C-N 124.174 0.921 . . . . 0.0 109.742 179.544 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -89.91 108.39 19.68 Favored 'General case' 0 C--N 1.323 -0.571 0 O-C-N 124.436 1.085 . . . . 0.0 108.273 178.658 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.558 HG21 ' CD2' ' A' ' 25' ' ' PHE . 2.7 t -85.86 148.14 4.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 0.0 110.728 -179.232 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 32.0 m-85 -129.65 123.63 31.68 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 114.682 -1.144 . . . . 0.0 109.95 179.228 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.659 ' CZ ' HG13 ' A' ' 18' ' ' VAL . 55.1 m-85 -92.01 127.31 37.43 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.54 1.15 . . . . 0.0 111.533 -179.474 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.436 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 1.3 mp -134.19 152.2 77.83 Favored Pre-proline 0 C--N 1.324 -0.535 0 O-C-N 124.212 0.945 . . . . 0.0 108.513 179.548 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 37' ' ' LEU . 56.1 Cg_endo -89.29 58.1 2.08 Favored 'Trans proline' 0 C--N 1.357 0.976 0 O-C-N 124.648 1.867 . . . . 0.0 112.116 -179.128 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -175.48 143.08 0.62 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.366 1.041 . . . . 0.0 111.721 179.574 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.485 ' HA2' ' CG ' ' A' ' 55' ' ' PHE . . . -118.44 21.31 9.98 Favored Glycine 0 CA--C 1.528 0.885 0 CA-C-N 114.729 -1.123 . . . . 0.0 112.46 -179.547 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.442 ' HB2' ' HD2' ' A' ' 42' ' ' PRO . 2.2 p -87.51 160.44 47.84 Favored Pre-proline 0 N--CA 1.453 -0.289 0 C-N-CA 120.194 -0.602 . . . . 0.0 110.108 178.374 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.442 ' HD2' ' HB2' ' A' ' 41' ' ' SER . 8.9 Cg_endo -52.81 161.3 3.24 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.29 1.679 . . . . 0.0 111.424 -179.738 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.549 HG13 ' N ' ' A' ' 44' ' ' THR . 1.0 OUTLIER -149.3 -159.14 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 114.73 -1.123 . . . . 0.0 108.747 -179.934 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.549 ' N ' HG13 ' A' ' 43' ' ' VAL . 0.6 OUTLIER -92.11 92.45 8.25 Favored 'General case' 0 N--CA 1.449 -0.504 0 O-C-N 124.921 1.388 . . . . 0.0 109.592 178.039 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.0 mt -90.41 82.04 5.95 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.443 1.089 . . . . 0.0 110.029 -179.239 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -89.14 19.29 4.35 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 114.97 -1.014 . . . . 0.0 111.212 -179.281 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.713 HD11 ' CE2' ' A' ' 49' ' ' TYR . 3.9 tp 63.92 96.57 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.395 0 O-C-N 123.974 0.796 . . . . 0.0 110.271 179.548 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.821 ' HB2' ' OXT' ' A' ' 70' ' ' GLY . 7.4 mtt85 -131.17 99.72 4.96 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 114.734 -1.121 . . . . 0.0 109.416 -179.839 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.713 ' CE2' HD11 ' A' ' 47' ' ' LEU . 68.5 m-85 -71.58 -20.69 61.97 Favored 'General case' 0 N--CA 1.451 -0.398 0 O-C-N 124.311 1.007 . . . . 0.0 113.151 -178.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 -91.26 -6.63 52.96 Favored 'General case' 0 C--N 1.323 -0.568 0 O-C-N 124.382 1.051 . . . . 0.0 112.282 -179.739 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.411 ' HB3' ' HB3' ' A' ' 48' ' ' ARG . 5.6 ttm180 -130.41 121.28 25.63 Favored 'General case' 0 C--N 1.322 -0.615 0 O-C-N 124.202 0.939 . . . . 0.0 111.171 -177.489 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.665 HG22 HG13 ' A' ' 69' ' ' VAL . 54.3 t -113.92 129.64 69.46 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.344 0 O-C-N 124.104 0.878 . . . . 0.0 109.1 179.281 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.622 HH21 ' C ' ' A' ' 70' ' ' GLY . 45.2 mtt-85 -90.2 147.09 23.78 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 114.9 -1.046 . . . . 0.0 111.877 -179.612 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.413 ' C ' ' CD1' ' A' ' 55' ' ' PHE . 38.9 t -142.12 144.85 24.65 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.367 0 CA-C-N 115.159 -0.928 . . . . 0.0 109.49 179.691 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.485 ' CG ' ' HA2' ' A' ' 40' ' ' GLY . 0.8 OUTLIER -124.82 133.65 53.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.33 1.019 . . . . 0.0 111.117 -179.51 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 11.3 p90 -145.12 167.66 22.2 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.36 1.037 . . . . 0.0 110.286 179.731 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.69 ' HB3' HG22 ' A' ' 60' ' ' THR . 2.0 t-20 -85.72 147.94 47.47 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.23 0.956 . . . . 0.0 110.112 -179.353 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_endo -86.21 -32.09 0.26 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.155 1.608 . . . . 0.0 113.114 -179.071 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -99.44 33.23 6.36 Favored Glycine 0 CA--C 1.528 0.86 0 O-C-N 124.133 0.896 . . . . 0.0 113.609 -178.806 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.69 HG22 ' HB3' ' A' ' 57' ' ' ASN . 0.7 OUTLIER -172.41 -41.43 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 O-C-N 124.483 0.755 . . . . 0.0 111.411 179.232 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 78.05 66.49 0.04 OUTLIER 'General case' 0 N--CA 1.45 -0.47 0 O-C-N 124.226 0.954 . . . . 0.0 110.606 -179.794 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.569 HG23 HG23 ' A' ' 60' ' ' THR . 72.7 t -143.23 141.16 26.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 O-C-N 124.384 1.052 . . . . 0.0 108.925 179.047 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 85.0 t -82.95 99.16 5.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 O-C-N 124.568 1.167 . . . . 0.0 109.079 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.437 ' OD1' ' CE1' ' A' ' 65' ' ' HIS . 3.5 p30 -109.92 30.27 6.86 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.531 1.144 . . . . 0.0 109.812 -179.809 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.437 ' CE1' ' OD1' ' A' ' 64' ' ' ASN . 64.9 m-70 -146.19 136.04 23.4 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.305 1.003 . . . . 0.0 109.218 179.444 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 79.6 t -63.49 113.98 11.53 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.755 1.284 . . . . 0.0 109.093 179.65 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 30.7 Cg_endo -76.96 144.17 23.8 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.445 1.76 . . . . 0.0 111.043 -179.54 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 1.6 p80 -149.39 163.74 36.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.423 1.077 . . . . 0.0 109.716 -179.637 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.665 HG13 HG22 ' A' ' 52' ' ' VAL . 1.9 t -85.7 160.7 3.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.398 1.061 . . . . 0.0 109.478 179.74 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.821 ' OXT' ' HB2' ' A' ' 48' ' ' ARG . . . . . . . . 0 CA--C 1.53 0.973 0 O-C-N 124.485 1.116 . . . . 0.0 111.101 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 22.4 p . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.392 -0.225 . . . . 0.0 110.392 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 4.6 mp0 -52.95 162.1 0.68 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.47 1.106 . . . . 0.0 110.343 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 73.4 m-85 -120.98 -65.5 1.14 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.099 . . . . 0.0 111.097 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 129.81 3.36 5.01 Favored Glycine 0 CA--C 1.529 0.914 0 O-C-N 124.579 1.174 . . . . 0.0 113.002 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.3 t -56.2 -19.52 14.12 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.104 0.532 . . . . 0.0 110.957 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -76.15 -174.41 2.74 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.251 0.97 . . . . 0.0 110.212 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 10.9 mp -69.31 91.58 0.55 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 114.382 -1.281 . . . . 0.0 109.522 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.426 ' O ' HG23 ' A' ' 69' ' ' VAL . 5.6 mttt -57.1 125.99 25.19 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.559 1.162 . . . . 0.0 109.432 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -140.85 145.67 36.53 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.517 1.136 . . . . 0.0 109.923 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.467 ' CD1' ' N ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -127.76 102.42 22.51 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.441 1.088 . . . . 0.0 110.681 179.954 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -71.97 -10.12 25.67 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.345 1.708 . . . . 0.0 112.685 -179.062 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -74.89 1.9 11.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.052 0.845 . . . . 0.0 112.534 -179.814 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 16.5 t -103.56 -9.15 9.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 123.951 0.782 . . . . 0.0 111.62 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 5.4 t -72.24 101.76 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 123.895 0.747 . . . . 0.0 109.704 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 134.16 -25.46 3.49 Favored Glycine 0 CA--C 1.527 0.838 0 O-C-N 124.407 1.067 . . . . 0.0 112.795 179.54 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.8 mtmt -78.24 165.75 23.53 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 -179.217 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -99.52 163.67 12.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.44 1.087 . . . . 0.0 109.638 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.707 HG13 ' CD1' ' A' ' 36' ' ' PHE . 21.3 t -45.47 -60.75 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 N-CA-C 113.612 0.967 . . . . 0.0 113.612 -179.156 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -55.47 -33.14 63.39 Favored 'General case' 0 C--O 1.239 0.523 0 N-CA-C 112.689 0.625 . . . . 0.0 112.689 -178.199 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 8.3 mm100 -64.43 -52.12 59.7 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.337 1.023 . . . . 0.0 109.475 179.794 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.23 -1.34 14.81 Favored 'General case' 0 C--N 1.327 -0.37 0 O-C-N 124.634 1.209 . . . . 0.0 112.984 179.776 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.8 tpp85 -83.09 -45.56 13.83 Favored 'General case' 0 C--N 1.32 -0.684 0 O-C-N 124.561 1.163 . . . . 0.0 109.721 -179.788 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -73.82 -28.34 61.57 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 114.727 -1.124 . . . . 0.0 110.826 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 68.5 t80 -70.83 -48.37 54.38 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.433 1.083 . . . . 0.0 112.019 -179.744 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.549 ' CD2' HG21 ' A' ' 34' ' ' VAL . 11.6 m-30 -72.58 -20.27 61.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.319 1.012 . . . . 0.0 112.633 -179.278 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 3.9 m -77.4 -34.72 54.73 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.304 1.002 . . . . 0.0 112.069 -179.339 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 16.1 mt -87.65 -45.74 10.13 Favored 'General case' 0 N--CA 1.449 -0.484 0 O-C-N 124.275 0.984 . . . . 0.0 113.219 -178.41 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 14.4 m-70 -85.48 -36.06 20.81 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.259 0.974 . . . . 0.0 112.996 -178.39 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 10.3 m-85 -120.93 53.7 3.48 Favored Pre-proline 0 C--N 1.324 -0.52 0 N-CA-C 114.194 1.183 . . . . 0.0 114.194 -178.396 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -66.43 -18.72 55.16 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 123.992 1.522 . . . . 0.0 114.256 -179.002 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 8.4 pm0 -90.81 15.1 11.87 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 123.988 0.805 . . . . 0.0 112.403 -179.238 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . 0.263 1.0 OUTLIER -124.97 126.6 45.72 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.272 -0.876 . . . . 0.0 109.293 179.633 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 13.1 t0 -86.3 100.87 12.59 Favored 'General case' 0 C--N 1.322 -0.6 0 O-C-N 124.528 1.143 . . . . 0.0 108.224 178.103 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.549 HG21 ' CD2' ' A' ' 25' ' ' PHE . 3.5 t -83.97 150.07 4.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.605 1.191 . . . . 0.0 110.452 -179.53 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -142.25 126.8 17.87 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 114.818 -1.083 . . . . 0.0 110.479 179.337 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.707 ' CD1' HG13 ' A' ' 18' ' ' VAL . 23.1 m-85 -102.81 133.3 48.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.371 1.044 . . . . 0.0 111.121 -179.757 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.426 ' HB2' ' HD2' ' A' ' 38' ' ' PRO . 0.2 OUTLIER -148.52 164.72 20.43 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.393 1.058 . . . . 0.0 109.329 -179.945 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.426 ' HD2' ' HB2' ' A' ' 37' ' ' LEU . 4.6 Cg_endo -72.87 151.51 51.07 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.302 1.685 . . . . 0.0 110.816 -179.715 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.536 ' CB ' ' CE1' ' A' ' 65' ' ' HIS . 6.8 tp10 -80.17 157.42 26.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 110.115 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.424 ' N ' ' HG3' ' A' ' 39' ' ' GLU . . . 86.41 -13.34 58.21 Favored Glycine 0 CA--C 1.528 0.893 0 O-C-N 124.389 1.056 . . . . 0.0 112.468 -179.799 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 12.7 t -105.76 69.55 0.21 Allowed Pre-proline 0 C--O 1.259 1.595 0 N-CA-C 115.668 1.729 . . . . 0.0 115.668 179.034 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -67.2 168.55 17.31 Favored 'Trans proline' 0 C--N 1.358 1.045 0 C-N-CA 120.664 0.909 . . . . 0.0 110.357 -179.448 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.553 HG13 ' N ' ' A' ' 44' ' ' THR . 1.0 OUTLIER -148.69 -159.32 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.412 1.07 . . . . 0.0 109.01 -179.885 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.553 ' N ' HG13 ' A' ' 43' ' ' VAL . 9.0 p -79.64 113.03 17.47 Favored 'General case' 0 N--CA 1.453 -0.31 0 O-C-N 125.343 1.652 . . . . 0.0 109.791 178.099 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.426 HD22 ' NH1' ' A' ' 53' ' ' ARG . 74.0 mt -116.38 93.51 4.26 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.11 0.881 . . . . 0.0 108.966 -179.42 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -90.94 32.61 0.99 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 114.599 -1.182 . . . . 0.0 111.466 -178.915 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.72 HD11 ' CE2' ' A' ' 49' ' ' TYR . 2.0 tp 64.66 103.25 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.385 0 O-C-N 123.94 0.775 . . . . 0.0 111.717 179.211 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.607 ' HG2' HH21 ' A' ' 51' ' ' ARG . 2.6 mtt180 -125.81 94.38 4.1 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 114.91 -1.041 . . . . 0.0 109.073 179.174 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.72 ' CE2' HD11 ' A' ' 47' ' ' LEU . 39.0 m-85 -69.38 -26.58 64.72 Favored 'General case' 0 C--N 1.328 -0.344 0 O-C-N 124.418 1.074 . . . . 0.0 112.043 -178.868 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 34.4 p-10 -87.92 -10.92 49.14 Favored 'General case' 0 C--N 1.323 -0.574 0 O-C-N 124.545 1.153 . . . . 0.0 111.627 179.348 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.607 HH21 ' HG2' ' A' ' 48' ' ' ARG . 3.2 ttp180 -110.27 126.19 53.91 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 123.962 0.789 . . . . 0.0 110.32 -179.721 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.572 HG22 HG13 ' A' ' 69' ' ' VAL . 93.1 t -114.1 105.3 18.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.318 1.011 . . . . 0.0 110.062 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.426 ' NH1' HD22 ' A' ' 45' ' ' LEU . 42.8 mtm-85 -88.61 130.19 35.33 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 114.828 -1.078 . . . . 0.0 110.928 179.719 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.632 HG13 ' HB3' ' A' ' 67' ' ' PRO . 2.6 t -115.04 160.72 14.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.155 0.909 . . . . 0.0 109.537 -179.766 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.457 ' O ' HG13 ' A' ' 63' ' ' VAL . 7.0 m-85 -128.3 134.31 48.89 Favored 'General case' 0 C--N 1.327 -0.39 0 O-C-N 124.449 1.093 . . . . 0.0 111.073 179.814 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 14.7 p90 -135.84 166.66 22.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.339 1.024 . . . . 0.0 110.05 179.492 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -86.62 133.72 39.3 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.332 1.02 . . . . 0.0 110.128 -179.406 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 27.6 Cg_endo -77.82 6.4 4.58 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.311 1.69 . . . . 0.0 112.629 179.472 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -94.85 -65.31 0.99 Allowed Glycine 0 CA--C 1.528 0.897 0 O-C-N 124.156 0.91 . . . . 0.0 112.006 -179.574 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.488 HG23 HG23 ' A' ' 62' ' ' VAL . 11.2 t -110.82 16.49 21.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.412 0.713 . . . . 0.0 111.725 -179.383 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 10.5 m120 53.68 25.68 5.21 Favored 'General case' 0 C--O 1.239 0.501 0 CA-C-N 115.856 -0.611 . . . . 0.0 112.51 178.44 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.488 HG23 HG23 ' A' ' 60' ' ' THR . 82.9 t -100.94 145.67 10.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.141 0.901 . . . . 0.0 110.734 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.457 HG13 ' O ' ' A' ' 55' ' ' PHE . 25.1 t -81.49 132.47 31.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 114.797 -1.092 . . . . 0.0 109.678 179.765 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 35.2 p30 -143.95 26.81 1.51 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.582 1.176 . . . . 0.0 109.273 179.763 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.536 ' CE1' ' CB ' ' A' ' 39' ' ' GLU . 38.2 m80 -135.9 123.58 22.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.388 1.055 . . . . 0.0 109.322 179.551 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 76.2 t -57.94 111.01 2.95 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.776 1.298 . . . . 0.0 109.206 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.632 ' HB3' HG13 ' A' ' 54' ' ' VAL . 42.6 Cg_endo -81.55 142.51 13.04 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.556 1.819 . . . . 0.0 110.641 -179.625 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 8.9 p80 -143.88 162.2 36.73 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.369 1.043 . . . . 0.0 110.201 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.572 HG13 HG22 ' A' ' 52' ' ' VAL . 9.5 t -85.03 140.79 15.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.709 1.256 . . . . 0.0 108.67 179.226 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.068 0 O-C-N 124.315 1.01 . . . . 0.0 110.883 -179.767 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 65.4 p . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 110.34 -0.244 . . . . 0.0 110.34 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -146.58 27.45 1.11 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 110.219 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 10.7 m-85 -61.47 -31.45 71.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.14 . . . . 0.0 111.001 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 126.89 4.12 6.18 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.407 1.067 . . . . 0.0 112.943 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.9 t -151.65 137.41 17.97 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.205 0.591 . . . . 0.0 110.047 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 44.9 mm-40 -116.1 -177.34 3.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.409 1.068 . . . . 0.0 110.183 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 74.29 85.08 0.1 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.621 1.201 . . . . 0.0 109.265 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.424 ' HB2' ' HB ' ' A' ' 69' ' ' VAL . 25.4 mmtm -58.38 124.59 20.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.435 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 96.7 p -145.12 143.47 30.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.142 . . . . 0.0 109.978 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -123.09 97.47 43.35 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.581 1.176 . . . . 0.0 110.706 179.739 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 11.5 Cg_endo -71.53 -9.98 26.02 Favored 'Trans proline' 0 C--N 1.364 1.361 0 O-C-N 124.344 1.708 . . . . 0.0 112.618 -179.317 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -72.14 -22.5 61.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.214 0.946 . . . . 0.0 110.583 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 3.5 t -91.14 46.06 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.445 1.091 . . . . 0.0 109.638 -179.821 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.1 t -116.05 120.07 63.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.472 1.108 . . . . 0.0 109.045 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 105.71 -23.05 30.66 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.529 1.143 . . . . 0.0 110.634 -179.551 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 22.2 mttm -71.53 162.66 29.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.711 0.889 . . . . 0.0 108.64 179.821 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -100.07 164.09 12.14 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.039 0.837 . . . . 0.0 110.254 -179.394 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.542 HG13 ' CG ' ' A' ' 36' ' ' PHE . 94.4 t -46.89 -59.43 0.67 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.551 0 O-C-N 124.206 0.941 . . . . 0.0 112.013 179.639 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -49.32 -39.35 30.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.241 0.963 . . . . 0.0 111.42 -179.004 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 8.7 mm100 -64.71 -50.76 65.67 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.327 1.017 . . . . 0.0 110.071 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.66 -3.14 16.93 Favored 'General case' 0 N--CA 1.452 -0.326 0 O-C-N 124.74 1.275 . . . . 0.0 113.0 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.26 -46.18 14.02 Favored 'General case' 0 C--N 1.322 -0.624 0 O-C-N 124.704 1.252 . . . . 0.0 109.45 179.664 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -71.53 -26.17 62.54 Favored 'General case' 0 C--N 1.328 -0.354 0 O-C-N 124.55 1.156 . . . . 0.0 109.982 179.752 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 74.6 t80 -74.76 -50.41 17.45 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.349 1.031 . . . . 0.0 111.221 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.544 ' CD2' HG21 ' A' ' 34' ' ' VAL . 3.8 m-85 -68.63 -24.42 64.56 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.408 1.068 . . . . 0.0 111.76 -179.643 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 3.9 m -76.19 -33.65 59.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.242 0.964 . . . . 0.0 111.849 -179.678 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 19.8 mt -85.87 -47.92 9.23 Favored 'General case' 0 N--CA 1.45 -0.443 0 N-CA-C 114.078 1.14 . . . . 0.0 114.078 -178.122 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.522 ' HB2' ' CD1' ' A' ' 29' ' ' TYR . 30.1 m-70 -86.05 -32.53 21.38 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 123.976 0.798 . . . . 0.0 113.005 -178.02 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.522 ' CD1' ' HB2' ' A' ' 28' ' ' HIS . 18.9 m-85 -124.19 62.88 30.9 Favored Pre-proline 0 C--O 1.241 0.634 0 N-CA-C 114.494 1.294 . . . . 0.0 114.494 -178.366 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -72.49 0.38 7.59 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 123.57 1.3 . . . . 0.0 112.982 179.609 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 9.0 pm0 -117.36 22.92 12.14 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.167 0.917 . . . . 0.0 110.417 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.414 ' HB2' ' HB3' ' A' ' 29' ' ' TYR 0.272 3.3 m-85 -128.97 125.86 38.34 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 114.824 -1.08 . . . . 0.0 109.999 -179.309 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -90.95 102.16 14.92 Favored 'General case' 0 C--N 1.323 -0.58 0 O-C-N 124.268 0.98 . . . . 0.0 108.765 179.134 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.63 HG22 ' HB ' ' A' ' 52' ' ' VAL . 2.6 t -86.74 150.82 3.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.52 -179.435 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -137.25 117.82 13.88 Favored 'General case' 0 C--N 1.328 -0.35 0 O-C-N 124.412 1.07 . . . . 0.0 110.937 179.681 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.542 ' CG ' HG13 ' A' ' 18' ' ' VAL . 48.1 m-85 -97.97 123.7 42.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.241 0.963 . . . . 0.0 110.5 179.741 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.582 HD21 ' HD3' ' A' ' 53' ' ' ARG . 0.6 OUTLIER -149.08 164.74 19.88 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.276 0.985 . . . . 0.0 109.525 -179.526 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.444 ' HD2' ' HB2' ' A' ' 37' ' ' LEU . 2.5 Cg_endo -71.49 142.7 41.11 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.41 1.742 . . . . 0.0 110.629 179.456 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -63.39 170.59 2.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.599 1.187 . . . . 0.0 110.594 -179.846 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.414 ' C ' ' HD3' ' A' ' 42' ' ' PRO . . . 108.01 -16.26 36.22 Favored Glycine 0 CA--C 1.528 0.884 0 O-C-N 124.329 1.018 . . . . 0.0 112.434 179.466 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 70.8 m -104.94 68.6 0.16 Allowed Pre-proline 0 C--O 1.26 1.623 0 N-CA-C 117.959 2.577 . . . . 0.0 117.959 179.424 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.414 ' HD3' ' C ' ' A' ' 40' ' ' GLY . 36.8 Cg_endo -72.52 136.12 25.47 Favored 'Trans proline' 0 C--N 1.36 1.169 0 C-N-CA 121.078 1.185 . . . . 0.0 110.823 179.53 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.553 HG13 HD21 ' A' ' 45' ' ' LEU . 0.1 OUTLIER -144.4 168.25 10.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.34 1.025 . . . . 0.0 109.047 -179.829 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.1 p -76.94 88.95 3.5 Favored 'General case' 0 CA--C 1.534 0.329 0 O-C-N 124.895 1.372 . . . . 0.0 109.191 178.206 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.553 HD21 HG13 ' A' ' 43' ' ' VAL . 18.0 mt -98.29 61.69 1.45 Allowed 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 114.821 -1.081 . . . . 0.0 110.715 -178.742 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -111.29 -42.14 3.98 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 114.989 -1.005 . . . . 0.0 109.833 -179.269 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 42.7 tp -59.48 -47.36 85.8 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 115.227 -0.897 . . . . 0.0 113.146 -178.627 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.467 ' HG3' ' CZ ' ' A' ' 51' ' ' ARG . 3.0 mmp_? -88.04 85.33 6.95 Favored 'General case' 0 C--N 1.322 -0.59 0 O-C-N 123.907 0.754 . . . . 0.0 112.439 -179.194 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.401 ' HA ' ' HA2' ' A' ' 70' ' ' GLY . 18.4 m-85 -78.83 -21.8 47.1 Favored 'General case' 0 N--CA 1.451 -0.392 0 O-C-N 124.207 0.942 . . . . 0.0 110.832 179.502 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -87.53 -12.99 44.21 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.557 1.161 . . . . 0.0 111.87 179.801 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.467 ' CZ ' ' HG3' ' A' ' 48' ' ' ARG . 2.9 ttp180 -107.54 118.54 36.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 123.955 0.784 . . . . 0.0 109.995 -179.71 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.63 ' HB ' HG22 ' A' ' 34' ' ' VAL . 2.0 t -93.64 147.05 5.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 O-C-N 124.314 1.009 . . . . 0.0 110.662 -179.576 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.582 ' HD3' HD21 ' A' ' 37' ' ' LEU . 1.4 mtt-85 -121.24 88.2 2.89 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 114.621 -1.172 . . . . 0.0 109.154 179.269 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.452 HG11 ' CE1' ' A' ' 36' ' ' PHE . 59.3 t -85.5 152.55 3.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 O-C-N 124.704 1.252 . . . . 0.0 109.706 -179.709 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.427 ' HB2' ' HB2' ' A' ' 65' ' ' HIS . 40.4 m-85 -125.55 145.34 50.16 Favored 'General case' 0 N--CA 1.452 -0.373 0 O-C-N 124.472 1.107 . . . . 0.0 111.829 -179.786 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 2.6 p90 -142.12 169.96 16.6 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.532 1.145 . . . . 0.0 110.188 179.573 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.436 ' HA ' ' HD3' ' A' ' 58' ' ' PRO . 19.2 t-20 -84.59 128.58 60.73 Favored Pre-proline 0 C--N 1.324 -0.531 0 CA-C-N 115.465 -0.788 . . . . 0.0 110.438 -179.236 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 57' ' ' ASN . 25.2 Cg_endo -80.73 81.98 2.59 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.521 1.8 . . . . 0.0 110.729 179.349 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -168.78 -57.31 0.03 OUTLIER Glycine 0 CA--C 1.532 1.116 0 O-C-N 124.512 1.132 . . . . 0.0 110.721 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.486 HG23 ' H ' ' A' ' 61' ' ' ASN . 0.1 OUTLIER -119.63 -77.17 0.57 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.613 0.831 . . . . 0.0 110.203 179.611 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.486 ' H ' HG23 ' A' ' 60' ' ' THR . 1.2 p30 161.17 84.98 0.0 OUTLIER 'General case' 0 CA--C 1.541 0.607 0 O-C-N 124.223 0.952 . . . . 0.0 108.662 178.017 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.427 HG12 ' N ' ' A' ' 63' ' ' VAL . 24.0 t -144.77 159.56 14.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 O-C-N 124.525 1.141 . . . . 0.0 108.917 179.426 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.427 ' N ' HG12 ' A' ' 62' ' ' VAL . 90.2 t -109.65 115.88 50.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 O-C-N 124.622 1.201 . . . . 0.0 108.994 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.406 ' ND2' ' HB2' ' A' ' 57' ' ' ASN . 3.6 p30 -120.45 23.28 10.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.772 1.295 . . . . 0.0 110.197 -179.57 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.427 ' HB2' ' HB2' ' A' ' 55' ' ' PHE . 45.3 m-70 -144.68 125.3 14.09 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.407 1.067 . . . . 0.0 109.538 179.868 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 12.4 t -61.73 113.12 7.42 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.574 1.172 . . . . 0.0 109.118 179.758 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_endo -78.11 128.23 8.93 Favored 'Trans proline' 0 C--N 1.358 1.07 0 O-C-N 124.567 1.825 . . . . 0.0 110.52 -179.613 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 7.7 p-80 -120.41 163.77 17.39 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.342 1.026 . . . . 0.0 109.87 -179.499 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.424 ' HB ' ' HB2' ' A' ' 8' ' ' LYS . 1.5 t -83.32 146.65 6.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.129 . . . . 0.0 109.565 179.516 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.401 ' HA2' ' HA ' ' A' ' 49' ' ' TYR . . . . . . . . 0 CA--C 1.534 1.247 0 O-C-N 124.611 1.194 . . . . 0.0 110.52 -179.6 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 110.405 -0.22 . . . . 0.0 110.405 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -73.71 -172.26 1.22 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 110.242 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 60.51 177.78 0.1 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 0.0 110.938 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -120.08 -2.31 12.49 Favored Glycine 0 CA--C 1.529 0.925 0 O-C-N 124.504 1.127 . . . . 0.0 112.958 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.5 t -52.94 147.57 9.02 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.175 0.574 . . . . 0.0 109.835 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.772 ' O ' ' OXT' ' A' ' 70' ' ' GLY . 38.5 mt-10 -150.05 145.49 26.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 111.2 -179.742 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.668 ' HB2' ' OXT' ' A' ' 70' ' ' GLY . 0.2 OUTLIER 63.8 -177.27 0.16 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.362 1.039 . . . . 0.0 109.9 179.348 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 37.0 mmtm -73.1 170.57 14.63 Favored 'General case' 0 N--CA 1.448 -0.569 0 CA-C-N 114.887 -1.051 . . . . 0.0 111.494 -179.073 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -148.38 134.31 19.09 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 114.268 -1.333 . . . . 0.0 108.807 179.578 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -114.76 76.7 4.29 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.597 1.186 . . . . 0.0 113.374 -179.154 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.441 ' HA ' HG13 ' A' ' 66' ' ' VAL . 22.2 Cg_endo -70.82 -16.15 33.09 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.223 1.644 . . . . 0.0 113.064 179.843 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 46.9 tt0 -74.12 -15.02 61.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.111 0.882 . . . . 0.0 111.957 -179.478 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 8.5 t -91.18 48.16 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.316 1.01 . . . . 0.0 109.959 -179.673 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 71.7 t -118.79 133.66 64.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.388 1.055 . . . . 0.0 109.326 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 97.31 -14.76 63.19 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.436 1.085 . . . . 0.0 111.956 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.47 ' C ' HG22 ' A' ' 17' ' ' THR . 36.5 mttt -74.02 -131.71 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.559 0 O-C-N 124.409 0.711 . . . . 0.0 109.269 -179.174 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.47 HG22 ' C ' ' A' ' 16' ' ' LYS . 0.3 OUTLIER -168.34 163.3 12.84 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.468 0.651 . . . . 0.0 111.287 -179.249 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 22.1 t -49.47 -53.0 10.35 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.429 0 CA-C-N 115.061 -0.972 . . . . 0.0 111.99 -179.505 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -57.68 -41.99 82.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 123.964 0.79 . . . . 0.0 111.42 -179.138 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.416 ' HG2' ' HB3' ' A' ' 16' ' ' LYS . 14.2 tp60 -63.17 -53.59 50.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.242 0.964 . . . . 0.0 110.084 -179.785 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.53 -0.67 13.38 Favored 'General case' 0 N--CA 1.452 -0.368 0 O-C-N 124.647 1.217 . . . . 0.0 113.086 -179.648 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.405 ' HD3' ' HA ' ' A' ' 22' ' ' ARG . 0.2 OUTLIER -81.76 -46.86 13.65 Favored 'General case' 0 C--N 1.321 -0.632 0 O-C-N 124.464 1.102 . . . . 0.0 108.996 179.617 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -78.01 -24.72 47.84 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 114.631 -1.168 . . . . 0.0 110.851 -179.753 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 62.3 t80 -75.7 -50.09 16.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.261 0.975 . . . . 0.0 113.118 -179.116 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 19.4 m-85 -73.12 -21.36 60.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.34 1.025 . . . . 0.0 111.878 -179.355 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.8 m -77.15 -34.6 56.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.32 1.013 . . . . 0.0 112.008 -179.663 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 16.3 mt -86.65 -46.32 10.18 Favored 'General case' 0 N--CA 1.451 -0.412 0 O-C-N 124.183 0.927 . . . . 0.0 113.442 -178.351 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 31.6 m-70 -85.43 -36.18 20.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.119 0.887 . . . . 0.0 112.862 -178.426 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 13.0 m-85 -121.19 53.49 3.59 Favored Pre-proline 0 C--N 1.323 -0.549 0 N-CA-C 114.147 1.166 . . . . 0.0 114.147 -178.508 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -67.39 -10.03 27.29 Favored 'Trans proline' 0 C--N 1.359 1.089 0 O-C-N 123.852 1.449 . . . . 0.0 113.075 -179.039 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -97.36 18.09 15.99 Favored 'General case' 0 N--CA 1.451 -0.377 0 O-C-N 124.325 1.016 . . . . 0.0 112.091 -179.225 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . 0.268 3.6 m-85 -129.52 133.16 47.1 Favored 'General case' 0 C--N 1.322 -0.606 0 O-C-N 124.133 0.896 . . . . 0.0 110.555 -178.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 15.4 t0 -92.84 102.79 15.18 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.303 1.002 . . . . 0.0 108.688 179.221 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.488 HG22 ' HB ' ' A' ' 52' ' ' VAL . 2.5 t -86.22 148.53 4.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.449 1.093 . . . . 0.0 110.23 -179.598 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.424 ' CE1' ' HG3' ' A' ' 51' ' ' ARG . 21.7 m-85 -136.37 114.41 11.41 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 114.87 -1.059 . . . . 0.0 110.636 179.751 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.44 ' O ' HD23 ' A' ' 37' ' ' LEU . 64.6 m-85 -91.88 129.33 37.87 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.29 0.994 . . . . 0.0 110.984 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.44 HD23 ' O ' ' A' ' 36' ' ' PHE . 0.6 OUTLIER -144.42 164.14 30.29 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.348 1.03 . . . . 0.0 109.017 -179.935 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 24.8 Cg_endo -78.58 148.04 22.78 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.42 1.747 . . . . 0.0 110.981 179.659 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -57.24 175.07 0.16 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 110.716 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.417 ' C ' ' CD ' ' A' ' 42' ' ' PRO . . . 92.41 -5.75 77.73 Favored Glycine 0 CA--C 1.527 0.831 0 O-C-N 124.396 1.06 . . . . 0.0 113.233 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.438 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 53.0 p -108.98 41.25 0.13 Allowed Pre-proline 0 C--O 1.251 1.173 0 N-CA-C 117.411 2.374 . . . . 0.0 117.411 179.488 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.438 ' CD ' ' N ' ' A' ' 41' ' ' SER . 11.8 Cg_endo -64.0 127.69 20.02 Favored 'Trans proline' 0 C--N 1.359 1.125 0 C-N-CA 121.383 1.388 . . . . 0.0 110.839 -179.487 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.557 HG13 ' N ' ' A' ' 44' ' ' THR . 1.0 OUTLIER -150.03 -158.76 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.41 1.069 . . . . 0.0 109.09 -179.521 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.557 ' N ' HG13 ' A' ' 43' ' ' VAL . 0.6 OUTLIER -89.7 94.51 9.87 Favored 'General case' 0 N--CA 1.451 -0.401 0 O-C-N 124.966 1.417 . . . . 0.0 109.485 178.044 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.504 HD23 ' NE ' ' A' ' 53' ' ' ARG . 0.2 OUTLIER -92.01 26.75 2.35 Favored 'General case' 0 N--CA 1.45 -0.431 0 O-C-N 124.351 1.032 . . . . 0.0 110.924 -179.141 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -102.07 -26.85 13.23 Favored 'General case' 0 N--CA 1.447 -0.596 0 O-C-N 124.247 0.967 . . . . 0.0 109.212 179.849 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 12.8 tp -51.0 -20.36 1.34 Allowed 'General case' 0 N--CA 1.449 -0.479 0 O-C-N 124.312 1.008 . . . . 0.0 111.91 -179.464 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.443 ' HB3' ' HB3' ' A' ' 51' ' ' ARG . 4.4 mmt-85 -127.77 113.91 16.59 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.131 0.894 . . . . 0.0 110.338 -179.59 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.483 ' HB3' HD11 ' A' ' 7' ' ' LEU . 21.1 m-30 -88.69 -29.41 19.9 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 114.209 1.188 . . . . 0.0 114.209 -179.116 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 15.8 p-10 -91.18 -12.77 34.39 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.464 1.102 . . . . 0.0 112.483 -178.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.443 ' HB3' ' HB3' ' A' ' 48' ' ' ARG . 8.4 ttm180 -112.94 124.09 51.81 Favored 'General case' 0 C--N 1.323 -0.571 0 O-C-N 124.057 0.848 . . . . 0.0 110.356 -179.443 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.488 ' HB ' HG22 ' A' ' 34' ' ' VAL . 47.1 t -98.36 146.83 7.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 O-C-N 124.393 1.058 . . . . 0.0 109.524 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.504 ' NE ' HD23 ' A' ' 45' ' ' LEU . 1.9 mtm180 -118.74 95.24 4.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.384 1.052 . . . . 0.0 109.574 179.761 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.597 HG13 ' HB3' ' A' ' 67' ' ' PRO . 9.7 t -88.24 156.38 3.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.694 1.247 . . . . 0.0 110.094 -179.598 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.435 ' O ' HG13 ' A' ' 63' ' ' VAL . 45.0 m-85 -128.49 147.47 50.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.414 1.071 . . . . 0.0 110.798 179.646 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 10.5 p90 -147.88 166.44 27.63 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.593 1.183 . . . . 0.0 111.584 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -85.78 138.66 35.33 Favored Pre-proline 0 C--N 1.326 -0.425 0 CA-C-N 114.821 -1.081 . . . . 0.0 109.393 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 30.7 Cg_endo -80.95 9.98 3.58 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.38 1.727 . . . . 0.0 112.525 179.641 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -91.08 -87.34 1.41 Allowed Glycine 0 CA--C 1.529 0.93 0 O-C-N 124.166 0.916 . . . . 0.0 110.99 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 14.9 t -91.92 2.81 56.29 Favored 'General case' 0 N--CA 1.449 -0.484 0 O-C-N 124.395 0.703 . . . . 0.0 112.491 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 3.6 m120 66.71 67.15 0.43 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.175 0.922 . . . . 0.0 109.285 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 2.1 t -135.84 140.48 44.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.402 1.064 . . . . 0.0 109.333 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.435 HG13 ' O ' ' A' ' 55' ' ' PHE . 41.0 t -75.67 141.37 15.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.414 1.071 . . . . 0.0 109.442 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.448 ' OD1' ' CE1' ' A' ' 65' ' ' HIS . 1.1 p30 -149.26 29.34 0.79 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.452 1.095 . . . . 0.0 110.008 -179.708 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.448 ' CE1' ' OD1' ' A' ' 64' ' ' ASN . 78.1 m-70 -147.94 123.54 10.45 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 115.199 -0.91 . . . . 0.0 109.346 179.562 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.441 HG13 ' HA ' ' A' ' 11' ' ' PRO . 89.0 t -54.28 109.26 1.44 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.734 1.271 . . . . 0.0 109.567 179.799 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.597 ' HB3' HG13 ' A' ' 54' ' ' VAL . 45.4 Cg_endo -84.17 91.55 0.82 Allowed 'Trans proline' 0 C--N 1.358 1.057 0 O-C-N 124.443 1.759 . . . . 0.0 110.744 179.557 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -90.77 162.3 14.93 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.138 0.899 . . . . 0.0 110.052 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.571 ' O ' ' OXT' ' A' ' 70' ' ' GLY . 15.9 t -87.68 160.17 2.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 O-C-N 124.427 1.08 . . . . 0.0 109.346 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.772 ' OXT' ' O ' ' A' ' 6' ' ' GLU . . . . . . . . 0 CA--C 1.53 1.015 0 O-C-N 124.579 1.174 . . . . 0.0 110.93 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.454 -0.243 0 N-CA-C 110.404 -0.221 . . . . 0.0 110.404 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -68.5 -157.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 110.195 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -88.12 -86.05 0.17 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 111.119 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -138.56 5.4 3.17 Favored Glycine 0 CA--C 1.528 0.905 0 O-C-N 124.237 0.961 . . . . 0.0 113.179 -179.783 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -176.59 -154.65 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.274 0.632 . . . . 0.0 109.952 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -134.23 132.33 39.57 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.362 1.039 . . . . 0.0 110.357 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.7 mt 65.3 169.42 0.2 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 109.504 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.42 116.59 2.73 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 0.0 109.408 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -144.08 161.19 39.43 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.379 1.049 . . . . 0.0 109.949 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -135.14 104.75 10.38 Favored Pre-proline 0 N--CA 1.45 -0.464 0 O-C-N 124.373 1.045 . . . . 0.0 112.007 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 15.0 Cg_endo -71.62 -11.13 27.71 Favored 'Trans proline' 0 C--N 1.363 1.326 0 O-C-N 124.147 1.604 . . . . 0.0 112.507 -179.464 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -76.02 -18.61 59.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.062 0.851 . . . . 0.0 111.466 -179.651 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.467 ' HA ' ' CE ' ' A' ' 16' ' ' LYS . 19.6 t -91.67 50.82 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.294 0.996 . . . . 0.0 109.878 -179.598 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 24.6 t -139.43 120.98 15.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.385 1.053 . . . . 0.0 109.217 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 110.27 -31.13 7.65 Favored Glycine 0 CA--C 1.528 0.891 0 O-C-N 124.502 1.126 . . . . 0.0 112.163 179.767 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.467 ' CE ' ' HA ' ' A' ' 13' ' ' VAL . 0.1 OUTLIER -79.35 162.45 25.56 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.368 0.687 . . . . 0.0 109.184 -179.028 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.683 HG22 HG22 ' A' ' 62' ' ' VAL . 65.3 p -91.08 169.73 10.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.036 0.835 . . . . 0.0 110.269 179.84 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.527 HG13 ' CD1' ' A' ' 36' ' ' PHE . 20.6 t -48.72 -58.39 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 111.718 -179.856 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -50.62 -39.63 50.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.322 1.014 . . . . 0.0 111.013 -179.171 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 6.6 mm100 -63.65 -52.7 59.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.457 1.098 . . . . 0.0 110.206 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.85 -0.33 13.16 Favored 'General case' 0 N--CA 1.451 -0.388 0 O-C-N 124.604 1.19 . . . . 0.0 113.049 -179.798 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -83.54 -46.74 12.08 Favored 'General case' 0 C--N 1.321 -0.657 0 O-C-N 124.441 1.088 . . . . 0.0 109.543 -179.857 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -72.92 -26.17 61.31 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 114.659 -1.155 . . . . 0.0 110.137 179.692 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 68.1 t80 -70.06 -52.04 27.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.561 1.163 . . . . 0.0 111.331 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.517 ' CG ' HG21 ' A' ' 34' ' ' VAL . 5.1 m-85 -69.82 -26.28 64.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.539 1.149 . . . . 0.0 110.844 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 7.4 m -78.23 -34.61 49.13 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 112.179 -179.534 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 25.6 mt -80.14 -48.78 12.66 Favored 'General case' 0 N--CA 1.448 -0.545 0 N-CA-C 113.587 0.958 . . . . 0.0 113.587 -178.378 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 15.2 m80 -87.77 -34.97 18.13 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.171 0.92 . . . . 0.0 113.319 -177.642 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 40.5 m-85 -123.76 56.64 10.9 Favored Pre-proline 0 C--N 1.324 -0.516 0 N-CA-C 114.313 1.227 . . . . 0.0 114.313 -178.359 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -69.01 -7.41 20.76 Favored 'Trans proline' 0 C--N 1.358 1.055 0 O-C-N 123.949 1.5 . . . . 0.0 113.28 -179.064 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -102.31 17.56 23.16 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.448 1.092 . . . . 0.0 111.811 -179.498 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . 0.259 1.8 m-85 -124.66 134.96 52.71 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.226 -0.897 . . . . 0.0 109.958 179.807 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 15.7 t0 -89.32 92.19 9.06 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.518 1.136 . . . . 0.0 108.569 178.664 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.517 HG21 ' CG ' ' A' ' 25' ' ' PHE . 2.5 t -85.35 150.14 4.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.537 1.148 . . . . 0.0 109.935 -179.636 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.537 ' HE2' HH11 ' A' ' 51' ' ' ARG . 1.8 m-85 -123.39 156.79 34.76 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.323 1.015 . . . . 0.0 110.803 179.802 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.527 ' CD1' HG13 ' A' ' 18' ' ' VAL . 14.7 m-85 -143.01 107.89 4.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 110.972 -179.868 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.406 ' HB2' ' HD2' ' A' ' 38' ' ' PRO . 0.9 OUTLIER -143.3 166.54 19.53 Favored Pre-proline 0 C--N 1.326 -0.425 0 O-C-N 124.315 1.009 . . . . 0.0 109.195 -179.86 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.406 ' HD2' ' HB2' ' A' ' 37' ' ' LEU . 18.7 Cg_endo -74.49 159.43 43.06 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.539 1.81 . . . . 0.0 111.214 -179.592 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.543 ' CG ' ' CE1' ' A' ' 65' ' ' HIS . 15.3 mt-10 -53.53 169.14 0.14 Allowed 'General case' 0 N--CA 1.448 -0.568 0 O-C-N 124.399 1.062 . . . . 0.0 111.183 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.423 ' C ' ' CD ' ' A' ' 42' ' ' PRO . . . 103.5 -7.22 50.33 Favored Glycine 0 CA--C 1.527 0.794 0 O-C-N 124.459 1.1 . . . . 0.0 114.42 178.662 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.448 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 16.2 p -104.52 36.06 0.05 OUTLIER Pre-proline 0 C--O 1.249 1.033 0 N-CA-C 119.279 3.066 . . . . 0.0 119.279 179.267 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.448 ' CD ' ' N ' ' A' ' 41' ' ' SER . 27.8 Cg_endo -71.85 133.09 21.15 Favored 'Trans proline' 0 C--N 1.358 1.038 0 C-N-CA 121.315 1.343 . . . . 0.0 110.709 179.391 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.546 HG13 ' N ' ' A' ' 44' ' ' THR . 0.9 OUTLIER -150.11 -160.03 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.357 1.036 . . . . 0.0 109.085 -179.618 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.546 ' N ' HG13 ' A' ' 43' ' ' VAL . 0.7 OUTLIER -85.65 84.18 7.66 Favored 'General case' 0 N--CA 1.449 -0.519 0 O-C-N 124.907 1.379 . . . . 0.0 109.242 177.839 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.576 ' O ' ' OXT' ' A' ' 70' ' ' GLY . 0.8 OUTLIER -55.84 -38.32 69.9 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 114.302 -1.317 . . . . 0.0 113.071 -178.516 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -54.44 100.07 0.03 OUTLIER 'General case' 0 N--CA 1.446 -0.627 0 O-C-N 123.983 0.802 . . . . 0.0 110.222 -179.851 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 17.9 tp -172.94 -79.94 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.337 1.023 . . . . 0.0 109.318 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.463 ' CB ' ' HB3' ' A' ' 51' ' ' ARG . 14.5 mmt180 -84.86 118.38 24.46 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 114.627 -1.17 . . . . 0.0 110.454 179.574 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 63.6 m-85 -86.1 -33.79 20.83 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 113.199 0.814 . . . . 0.0 113.199 -178.86 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 48.7 p-10 -87.87 -11.35 47.99 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.442 1.089 . . . . 0.0 111.797 179.441 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.537 HH11 ' HE2' ' A' ' 35' ' ' TYR . 3.1 ttm180 -106.8 113.23 26.6 Favored 'General case' 0 C--N 1.323 -0.577 0 O-C-N 123.988 0.805 . . . . 0.0 109.664 179.801 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.928 HG22 HG22 ' A' ' 69' ' ' VAL . 46.8 t -105.45 154.53 6.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 O-C-N 124.355 1.034 . . . . 0.0 110.756 -179.313 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.421 ' HA ' ' HB2' ' A' ' 35' ' ' TYR . 46.2 mtt180 -122.24 136.54 54.92 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 114.751 -1.113 . . . . 0.0 109.511 179.821 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 21.6 t -123.91 154.76 30.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.637 1.211 . . . . 0.0 109.862 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 63.8 m-85 -126.17 140.59 52.44 Favored 'General case' 0 C--N 1.327 -0.392 0 O-C-N 124.464 1.102 . . . . 0.0 111.257 179.755 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 13.0 p90 -139.76 170.37 16.01 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 114.919 -1.037 . . . . 0.0 110.435 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -87.68 129.75 49.58 Favored Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.313 1.008 . . . . 0.0 109.505 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_endo -85.03 37.85 0.63 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.236 1.65 . . . . 0.0 113.266 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -141.81 -63.86 0.03 OUTLIER Glycine 0 CA--C 1.531 1.052 0 N-CA-C 110.585 -1.006 . . . . 0.0 110.585 179.663 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 9.3 t -88.13 -18.5 28.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 0.784 . . . . 0.0 111.064 179.521 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 69.81 63.12 0.25 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.206 0.941 . . . . 0.0 109.033 -179.677 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.683 HG22 HG22 ' A' ' 17' ' ' THR . 96.2 t -142.21 143.28 26.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.578 1.174 . . . . 0.0 109.827 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 66.1 t -80.99 129.67 37.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 114.99 -1.005 . . . . 0.0 109.091 179.721 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -142.1 35.55 1.54 Allowed 'General case' 0 C--N 1.327 -0.386 0 O-C-N 124.517 1.135 . . . . 0.0 110.505 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.543 ' CE1' ' CG ' ' A' ' 39' ' ' GLU . 14.9 m80 -148.55 123.83 10.22 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.351 1.032 . . . . 0.0 109.331 179.582 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 60.4 t -57.4 110.3 2.37 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.778 1.299 . . . . 0.0 109.117 179.572 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.434 ' HG2' ' HB ' ' A' ' 13' ' ' VAL . 56.1 Cg_endo -83.76 111.36 1.71 Allowed 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.445 1.761 . . . . 0.0 111.576 -179.28 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.427 ' CE1' HD13 ' A' ' 45' ' ' LEU . 0.4 OUTLIER -106.17 164.62 11.85 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.1 -0.955 . . . . 0.0 109.246 179.761 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.928 HG22 HG22 ' A' ' 52' ' ' VAL . 1.4 t -81.76 143.52 12.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.647 1.217 . . . . 0.0 108.947 178.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.576 ' OXT' ' O ' ' A' ' 45' ' ' LEU . . . . . . . . 0 CA--C 1.53 1.005 0 O-C-N 124.375 1.047 . . . . 0.0 110.704 -179.746 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 1.2 p . . . . . 0 N--CA 1.452 -0.354 0 N-CA-C 110.413 -0.217 . . . . 0.0 110.413 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -52.42 161.1 0.72 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.112 . . . . 0.0 110.231 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -163.98 -41.44 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.391 0 O-C-N 124.446 1.091 . . . . 0.0 111.294 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -124.23 3.21 9.0 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.507 1.129 . . . . 0.0 112.931 -179.783 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.7 t -84.19 87.57 7.18 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.217 0.598 . . . . 0.0 109.858 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 31.3 mm-40 -152.74 101.01 2.58 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.588 1.18 . . . . 0.0 110.73 -179.731 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.2 mp -110.33 75.07 0.91 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.474 1.109 . . . . 0.0 108.952 179.667 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.419 ' HB2' ' HB ' ' A' ' 69' ' ' VAL . 9.3 mtmm -71.77 125.36 26.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 110.451 -179.495 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.9 p -149.42 127.27 11.81 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.011 -0.995 . . . . 0.0 109.474 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -122.21 98.01 44.81 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 111.226 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.544 ' HA ' HG13 ' A' ' 66' ' ' VAL . 10.9 Cg_endo -71.08 -8.9 24.57 Favored 'Trans proline' 0 C--N 1.366 1.484 0 O-C-N 124.046 1.551 . . . . 0.0 112.561 -179.758 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -79.67 8.13 7.15 Favored 'General case' 0 C--N 1.323 -0.566 0 O-C-N 123.994 0.809 . . . . 0.0 112.67 -179.141 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 59.9 t -95.27 -25.05 4.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 124.074 0.858 . . . . 0.0 110.207 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 6.4 t -60.26 125.26 16.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.552 -179.784 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 117.04 -39.29 2.71 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.507 1.129 . . . . 0.0 112.782 179.477 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.464 ' HB3' ' CG ' ' A' ' 20' ' ' GLN . 2.3 mtpt -77.1 166.36 23.38 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.325 0.662 . . . . 0.0 109.771 -179.017 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -100.32 166.99 10.69 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.121 . . . . 0.0 110.012 -179.645 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.657 HG13 ' CE2' ' A' ' 36' ' ' PHE . 24.1 t -46.24 -63.08 0.31 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.533 0 O-C-N 123.873 0.733 . . . . 0.0 112.597 -179.527 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 14.9 p-10 -50.44 -40.23 49.94 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 123.904 0.753 . . . . 0.0 111.804 -178.704 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.464 ' CG ' ' HB3' ' A' ' 16' ' ' LYS . 9.4 tp60 -63.68 -51.77 63.6 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.239 -0.891 . . . . 0.0 110.086 -179.867 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.78 -5.72 17.72 Favored 'General case' 0 N--CA 1.452 -0.339 0 O-C-N 124.398 1.061 . . . . 0.0 113.359 -179.655 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -80.64 -46.29 15.86 Favored 'General case' 0 C--N 1.32 -0.709 0 O-C-N 124.936 1.397 . . . . 0.0 109.031 179.167 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.24 -24.43 64.0 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 114.412 -1.267 . . . . 0.0 109.961 179.383 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.441 ' C ' ' CD1' ' A' ' 24' ' ' TYR . 3.7 t80 -65.54 -51.44 59.86 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 110.777 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.715 ' CD2' HG21 ' A' ' 34' ' ' VAL . 17.4 m-85 -68.7 -23.22 64.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 110.593 179.745 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 23.7 m -67.64 -30.33 69.87 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.319 1.012 . . . . 0.0 110.21 179.821 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 16.5 mt -86.44 -46.19 10.45 Favored 'General case' 0 N--CA 1.449 -0.49 0 N-CA-C 114.269 1.211 . . . . 0.0 114.269 -178.196 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 90.1 m-70 -86.24 -53.65 4.91 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.054 0.846 . . . . 0.0 113.234 -177.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 51.5 m-85 -119.26 75.47 15.92 Favored Pre-proline 0 C--N 1.323 -0.559 0 N-CA-C 114.052 1.13 . . . . 0.0 114.052 -178.329 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -73.9 2.12 6.34 Favored 'Trans proline' 0 C--N 1.359 1.091 0 O-C-N 123.817 1.43 . . . . 0.0 113.229 -178.798 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 6.3 pm0 -115.38 21.11 14.35 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.287 0.992 . . . . 0.0 110.705 179.59 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 1.6 m-30 -120.37 117.5 27.92 Favored 'General case' 0 C--N 1.322 -0.601 0 O-C-N 124.258 0.973 . . . . 0.0 110.273 179.55 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -85.74 102.59 13.77 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 107.856 -1.164 . . . . 0.0 107.856 177.299 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.715 HG21 ' CD2' ' A' ' 25' ' ' PHE . 2.5 t -84.85 150.64 3.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 O-C-N 124.536 1.148 . . . . 0.0 110.946 -178.904 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.417 ' HB2' ' HA ' ' A' ' 53' ' ' ARG . 6.6 m-30 -114.82 147.37 39.93 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.027 -0.988 . . . . 0.0 110.271 179.186 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.657 ' CE2' HG13 ' A' ' 18' ' ' VAL . 8.1 m-85 -128.38 115.65 18.57 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.684 1.24 . . . . 0.0 110.7 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.408 HD23 ' O ' ' A' ' 36' ' ' PHE . 3.5 mt -144.75 160.68 46.4 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.315 1.009 . . . . 0.0 109.219 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 22.1 Cg_endo -79.25 161.56 25.93 Favored 'Trans proline' 0 C--N 1.359 1.094 0 O-C-N 124.515 1.797 . . . . 0.0 110.56 179.427 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -48.09 158.63 0.23 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.73 1.269 . . . . 0.0 111.668 -179.763 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 70.55 8.78 63.72 Favored Glycine 0 CA--C 1.532 1.109 0 O-C-N 124.33 1.019 . . . . 0.0 112.079 -178.529 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.473 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 44.5 t -90.95 -40.31 0.39 Allowed Pre-proline 0 C--O 1.244 0.766 0 N-CA-C 116.848 2.166 . . . . 0.0 116.848 177.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.509 ' HG3' ' CE1' ' A' ' 55' ' ' PHE . 17.9 Cg_exo -46.85 160.31 0.26 Allowed 'Trans proline' 0 N--CA 1.45 -1.044 0 O-C-N 123.505 1.266 . . . . 0.0 113.678 -178.277 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.538 HG13 ' N ' ' A' ' 44' ' ' THR . 2.4 p -144.53 -153.68 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.542 0.645 0 CA-C-N 114.284 -1.326 . . . . 0.0 107.711 -179.06 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.538 ' N ' HG13 ' A' ' 43' ' ' VAL . 15.4 p -73.48 115.55 13.0 Favored 'General case' 0 C--O 1.235 0.336 0 O-C-N 126.135 2.147 . . . . 0.0 109.158 177.168 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.528 HD23 ' HE ' ' A' ' 53' ' ' ARG . 0.1 OUTLIER -103.97 90.6 3.66 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.009 0.818 . . . . 0.0 109.698 -178.69 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -67.6 -157.89 0.02 OUTLIER 'General case' 0 N--CA 1.448 -0.544 0 O-C-N 124.494 1.121 . . . . 0.0 110.776 -179.82 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.441 HD11 ' CE1' ' A' ' 49' ' ' TYR . 14.7 tp -83.15 84.23 7.55 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.032 -0.985 . . . . 0.0 109.768 -179.698 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.456 ' N ' ' OXT' ' A' ' 70' ' ' GLY . 5.9 mmp_? -124.3 88.85 2.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 109.596 179.686 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.441 ' CE1' HD11 ' A' ' 47' ' ' LEU . 69.9 m-85 -76.24 -20.68 57.19 Favored 'General case' 0 N--CA 1.45 -0.434 0 O-C-N 124.461 1.101 . . . . 0.0 112.945 -179.23 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -88.97 -11.6 43.9 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.458 1.099 . . . . 0.0 112.08 -179.656 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.419 ' HB3' ' HB3' ' A' ' 48' ' ' ARG . 11.7 ttm180 -122.6 123.68 41.74 Favored 'General case' 0 C--N 1.323 -0.575 0 O-C-N 124.138 0.899 . . . . 0.0 111.107 -178.56 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 1.091 ' CG2' HG22 ' A' ' 69' ' ' VAL . 65.7 t -117.3 154.35 19.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.274 0.983 . . . . 0.0 108.486 179.255 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.528 ' HE ' HD23 ' A' ' 45' ' ' LEU . 2.5 mtm-85 -122.01 149.85 42.91 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.488 1.118 . . . . 0.0 110.275 -179.237 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 77.0 t -142.11 149.25 19.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 O-C-N 124.459 1.1 . . . . 0.0 109.684 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.509 ' CE1' ' HG3' ' A' ' 42' ' ' PRO . 1.0 OUTLIER -118.63 134.38 55.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 110.902 -179.912 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 14.0 p90 -142.89 168.19 20.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.427 1.079 . . . . 0.0 110.468 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -85.0 132.39 45.85 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.434 1.084 . . . . 0.0 109.623 -179.649 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_endo -81.1 10.24 3.49 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.268 1.667 . . . . 0.0 112.403 179.58 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -95.76 -67.49 0.98 Allowed Glycine 0 CA--C 1.529 0.923 0 O-C-N 124.138 0.899 . . . . 0.0 111.649 -179.643 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 14.3 t -108.93 -0.21 19.79 Favored 'General case' 0 N--CA 1.45 -0.47 0 O-C-N 124.309 0.652 . . . . 0.0 112.726 -179.676 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 8.2 m-20 68.79 70.98 0.28 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.073 0.858 . . . . 0.0 109.21 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 12.1 t -143.47 134.18 22.2 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.363 0 O-C-N 124.57 1.169 . . . . 0.0 110.476 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 61.5 t -72.39 132.87 32.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 114.874 -1.057 . . . . 0.0 109.74 179.764 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.443 ' O ' ' CD2' ' A' ' 65' ' ' HIS . 16.4 p30 -140.16 24.71 2.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.429 1.081 . . . . 0.0 109.826 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.443 ' CD2' ' O ' ' A' ' 64' ' ' ASN . 37.1 m80 -148.34 139.68 23.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.349 1.031 . . . . 0.0 109.527 179.779 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.544 HG13 ' HA ' ' A' ' 11' ' ' PRO . 10.8 t -66.55 114.74 18.74 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.494 1.121 . . . . 0.0 109.583 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -79.78 145.62 18.14 Favored 'Trans proline' 0 C--N 1.358 1.064 0 O-C-N 124.532 1.806 . . . . 0.0 110.865 179.54 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -140.17 163.3 33.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.314 1.008 . . . . 0.0 109.633 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 1.091 HG22 ' CG2' ' A' ' 52' ' ' VAL . 6.3 t -97.74 148.4 5.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 0.0 109.312 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.456 ' OXT' ' N ' ' A' ' 48' ' ' ARG . . . . . . . . 0 CA--C 1.53 1.001 0 O-C-N 124.482 1.114 . . . . 0.0 110.988 179.991 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 87.7 m . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 110.432 -0.211 . . . . 0.0 110.432 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -138.51 23.81 2.69 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.545 1.153 . . . . 0.0 110.348 179.93 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -119.06 -168.34 1.54 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.444 1.09 . . . . 0.0 110.874 179.928 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -75.72 -6.28 81.16 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.508 1.13 . . . . 0.0 113.142 179.91 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.7 t 66.41 160.68 0.14 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.226 0.604 . . . . 0.0 110.574 179.982 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 69.75 154.39 0.12 Allowed 'General case' 0 N--CA 1.452 -0.359 0 O-C-N 124.423 1.077 . . . . 0.0 110.289 -179.549 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.6 mp 52.82 42.98 32.02 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.422 1.076 . . . . 0.0 109.608 179.855 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.506 ' O ' HG23 ' A' ' 69' ' ' VAL . 1.4 mptp? -58.89 109.07 0.75 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.483 1.114 . . . . 0.0 109.491 -179.916 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 91.9 p -149.59 137.39 20.27 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 114.92 -1.036 . . . . 0.0 109.796 -179.648 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -124.57 97.67 38.92 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.555 1.16 . . . . 0.0 110.791 179.763 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -73.61 -6.17 18.28 Favored 'Trans proline' 0 C--N 1.365 1.421 0 O-C-N 124.159 1.61 . . . . 0.0 112.611 -179.767 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 23.0 tp10 -71.07 -20.12 62.39 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.105 0.878 . . . . 0.0 110.903 -179.98 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 3.3 t -91.59 45.28 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.314 1.009 . . . . 0.0 109.226 179.881 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 37.6 t -115.03 123.2 70.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.157 . . . . 0.0 109.177 179.854 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 113.87 -23.43 13.1 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.599 1.187 . . . . 0.0 110.988 -179.958 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.7 mttp -76.21 162.37 28.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 0.774 . . . . 0.0 108.982 -179.606 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -98.77 164.22 12.31 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.105 0.878 . . . . 0.0 109.895 179.962 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.448 HG13 ' CG ' ' A' ' 36' ' ' PHE . 40.2 t -45.12 -59.94 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.322 1.014 . . . . 0.0 112.719 -179.448 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -50.55 -40.19 51.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.011 0.82 . . . . 0.0 111.327 -179.122 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 13.8 mm-40 -63.69 -52.53 60.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.348 1.03 . . . . 0.0 110.084 -179.822 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.39 -0.86 13.56 Favored 'General case' 0 N--CA 1.452 -0.348 0 O-C-N 124.691 1.244 . . . . 0.0 113.108 -179.688 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.448 ' HD3' ' HA ' ' A' ' 22' ' ' ARG . 11.2 tpp85 -83.03 -46.68 12.56 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 124.456 1.098 . . . . 0.0 109.526 179.86 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -73.97 -23.94 59.55 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 114.444 -1.253 . . . . 0.0 110.566 179.951 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 39.4 t80 -69.84 -49.13 55.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.445 1.091 . . . . 0.0 112.202 -179.585 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.8 ' CG ' HG21 ' A' ' 34' ' ' VAL . 7.4 m-85 -70.89 -22.88 62.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 111.871 -179.414 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 45.5 m -74.55 -30.9 61.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.237 0.96 . . . . 0.0 111.46 -179.797 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 17.4 mt -88.86 -45.31 9.82 Favored 'General case' 0 N--CA 1.449 -0.491 0 N-CA-C 114.336 1.236 . . . . 0.0 114.336 -178.025 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 93.9 m-70 -82.8 -42.1 18.3 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.062 0.851 . . . . 0.0 112.877 -178.604 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 46.0 m-85 -119.62 75.66 18.79 Favored Pre-proline 0 C--N 1.323 -0.576 0 N-CA-C 114.068 1.136 . . . . 0.0 114.068 -178.925 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 22.3 Cg_endo -80.82 10.22 3.44 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.01 1.531 . . . . 0.0 112.916 179.976 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -124.54 19.36 8.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.431 1.082 . . . . 0.0 111.283 -179.713 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . 0.273 3.1 m-85 -129.58 134.85 47.95 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.16 -0.927 . . . . 0.0 110.043 -179.358 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.412 ' HB2' ' HG3' ' A' ' 51' ' ' ARG . 4.9 m-20 -89.53 97.61 11.29 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.422 1.076 . . . . 0.0 108.365 178.652 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.8 HG21 ' CG ' ' A' ' 25' ' ' PHE . 3.1 t -84.1 151.38 3.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.627 1.204 . . . . 0.0 109.324 -179.807 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.437 ' CE2' ' HD2' ' A' ' 51' ' ' ARG . 47.6 m-85 -144.61 131.53 20.3 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.585 1.178 . . . . 0.0 110.969 179.754 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.515 ' CD1' ' HB ' ' A' ' 54' ' ' VAL . 32.3 m-85 -113.38 106.33 14.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.374 1.046 . . . . 0.0 110.469 179.8 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.429 ' HB3' ' HD2' ' A' ' 38' ' ' PRO . 52.2 mt -130.94 164.22 43.54 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.284 0.99 . . . . 0.0 109.412 -179.518 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.429 ' HD2' ' HB3' ' A' ' 37' ' ' LEU . 3.4 Cg_endo -71.54 133.12 21.74 Favored 'Trans proline' 0 C--N 1.361 1.227 0 O-C-N 124.386 1.73 . . . . 0.0 110.745 179.584 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.99 -178.3 0.07 Allowed 'General case' 0 N--CA 1.449 -0.523 0 O-C-N 124.49 1.119 . . . . 0.0 110.901 -179.777 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.403 ' C ' ' HD3' ' A' ' 42' ' ' PRO . . . 111.02 -19.11 25.57 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.431 1.082 . . . . 0.0 112.054 179.539 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 66.0 p -105.74 64.66 0.15 Allowed Pre-proline 0 C--O 1.26 1.607 0 N-CA-C 117.48 2.4 . . . . 0.0 117.48 179.004 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.403 ' HD3' ' C ' ' A' ' 40' ' ' GLY . 30.1 Cg_endo -69.05 132.78 25.23 Favored 'Trans proline' 0 C--N 1.36 1.133 0 C-N-CA 121.025 1.15 . . . . 0.0 111.181 179.721 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.547 HG13 ' N ' ' A' ' 44' ' ' THR . 0.8 OUTLIER -148.98 -161.49 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.459 1.099 . . . . 0.0 108.99 179.809 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.547 ' N ' HG13 ' A' ' 43' ' ' VAL . 0.6 OUTLIER -94.43 79.54 3.89 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 114.313 -1.312 . . . . 0.0 109.07 177.733 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 64.7 mt -60.48 -23.6 64.61 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-N 113.764 -1.562 . . . . 0.0 114.526 -178.154 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -50.09 -20.65 1.03 Allowed 'General case' 0 N--CA 1.446 -0.641 0 O-C-N 123.677 0.611 . . . . 0.0 112.55 -179.654 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 20.7 tp -49.49 -59.59 3.61 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.137 0.898 . . . . 0.0 111.852 -179.09 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 1.099 ' HB2' ' OXT' ' A' ' 70' ' ' GLY . 0.6 OUTLIER -90.0 94.77 9.93 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.482 -0.781 . . . . 0.0 111.902 -179.368 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 62.6 m-85 -72.8 -30.44 64.07 Favored 'General case' 0 CA--C 1.535 0.402 0 O-C-N 124.488 1.118 . . . . 0.0 110.412 179.464 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -93.7 -9.17 38.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.683 1.24 . . . . 0.0 112.199 -179.132 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.75 HH21 ' HG3' ' A' ' 48' ' ' ARG . 1.7 ttp180 -108.8 128.87 55.27 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.086 0.866 . . . . 0.0 109.937 -179.323 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.588 ' HB ' HG22 ' A' ' 34' ' ' VAL . 5.6 t -99.57 137.68 26.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 124.414 1.071 . . . . 0.0 109.328 179.839 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.14 93.46 4.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.828 179.965 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 1.034 HG13 ' HB3' ' A' ' 67' ' ' PRO . 3.7 t -92.04 159.6 2.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.597 1.186 . . . . 0.0 109.143 179.727 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -125.99 146.29 49.94 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.455 1.097 . . . . 0.0 111.449 -179.869 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 19.5 p90 -144.55 166.65 24.55 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.484 1.115 . . . . 0.0 110.543 179.747 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -91.66 126.35 54.34 Favored Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 124.578 1.174 . . . . 0.0 109.421 -179.779 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_endo -73.85 1.71 6.76 Favored 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.412 1.743 . . . . 0.0 112.774 -179.757 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -99.79 -78.65 1.38 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.168 0.917 . . . . 0.0 111.628 -179.611 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.8 t -70.92 -16.38 62.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.399 0.705 . . . . 0.0 111.699 -179.864 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.0 m120 68.9 43.74 1.15 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.303 1.002 . . . . 0.0 108.995 -179.663 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 22.6 t -133.95 149.57 30.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.597 1.185 . . . . 0.0 109.379 -179.824 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 42.8 t -79.25 130.18 36.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.39 1.056 . . . . 0.0 109.476 -179.983 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 8.1 p-10 -135.08 27.81 3.5 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.671 1.232 . . . . 0.0 109.218 179.948 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 98.3 m-70 -144.73 124.89 13.66 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.475 1.11 . . . . 0.0 109.654 179.905 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 38.6 t -55.87 112.01 3.81 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.566 1.166 . . . . 0.0 108.918 179.71 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 1.034 ' HB3' HG13 ' A' ' 54' ' ' VAL . 23.8 Cg_endo -73.44 140.35 30.03 Favored 'Trans proline' 0 C--N 1.361 1.223 0 O-C-N 124.572 1.827 . . . . 0.0 111.27 -179.375 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 3.3 p-80 -138.41 165.05 27.78 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 114.906 -1.043 . . . . 0.0 109.039 -179.929 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.506 HG23 ' O ' ' A' ' 8' ' ' LYS . 3.8 t -84.09 145.17 8.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 109.546 179.763 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 1.099 ' OXT' ' HB2' ' A' ' 48' ' ' ARG . . . . . . . . 0 CA--C 1.532 1.104 0 O-C-N 124.346 1.029 . . . . 0.0 110.845 -179.865 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 2.9 m . . . . . 0 N--CA 1.454 -0.243 0 N-CA-C 110.348 -0.242 . . . . 0.0 110.348 . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -133.89 27.84 3.9 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.098 . . . . 0.0 110.287 179.993 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 39.8 m-85 -106.49 -168.81 1.47 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.568 1.168 . . . . 0.0 110.895 179.937 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 126.02 4.64 6.53 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.55 1.156 . . . . 0.0 112.922 -179.878 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.4 t 56.47 60.99 2.86 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.193 0.584 . . . . 0.0 109.894 179.989 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 65.6 mm-40 -104.85 73.09 1.05 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 110.185 179.917 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.7 mp -63.62 132.19 50.36 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.442 -179.91 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 12.7 mtpt -67.66 116.63 8.58 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.432 1.082 . . . . 0.0 109.476 -179.999 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.427 ' HB3' ' HB3' ' A' ' 68' ' ' HIS . 30.8 p -142.2 143.99 33.18 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.477 1.111 . . . . 0.0 109.919 179.93 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.406 ' O ' HG12 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -126.8 97.78 32.32 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.903 -179.866 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_endo -77.18 -1.51 11.69 Favored 'Trans proline' 0 C--N 1.363 1.312 0 O-C-N 124.114 1.586 . . . . 0.0 113.092 -179.761 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.23 -25.81 60.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.291 0.995 . . . . 0.0 109.948 -179.441 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.406 HG12 ' O ' ' A' ' 10' ' ' PHE . 9.7 p -95.1 39.36 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.661 1.225 . . . . 0.0 109.987 -179.766 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.5 t -98.6 137.36 26.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.387 1.055 . . . . 0.0 109.138 179.819 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 90.58 -15.51 60.11 Favored Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.463 1.102 . . . . 0.0 112.059 -179.944 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.497 ' O ' HG13 ' A' ' 62' ' ' VAL . 6.9 mttt -72.16 -165.66 0.19 Allowed 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 -179.967 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.731 HG22 HG22 ' A' ' 62' ' ' VAL . 6.1 p -129.17 166.68 18.87 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.256 0.972 . . . . 0.0 110.264 -179.735 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.785 HG13 ' CE1' ' A' ' 36' ' ' PHE . 58.6 t -48.05 -58.48 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 111.761 -179.82 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -55.11 -36.11 65.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.215 0.947 . . . . 0.0 111.041 -179.082 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.66 -52.67 56.11 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.551 1.157 . . . . 0.0 109.352 -179.833 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.19 -0.37 14.08 Favored 'General case' 0 C--N 1.329 -0.303 0 O-C-N 124.592 1.182 . . . . 0.0 112.741 179.971 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 8.2 ttm180 -82.2 -46.12 14.17 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 124.468 1.105 . . . . 0.0 109.352 179.697 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -73.01 -27.59 61.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 114.722 -1.127 . . . . 0.0 110.169 179.749 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 22.8 t80 -64.13 -49.7 71.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.561 1.163 . . . . 0.0 111.433 -179.963 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.761 ' CD2' HG21 ' A' ' 34' ' ' VAL . 11.4 m-85 -67.52 -25.66 65.95 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.501 1.126 . . . . 0.0 111.233 -179.788 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 87.2 m -72.7 -30.51 64.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.153 0.908 . . . . 0.0 110.878 179.984 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 15.1 mt -87.97 -43.94 11.38 Favored 'General case' 0 N--CA 1.449 -0.493 0 N-CA-C 113.624 0.972 . . . . 0.0 113.624 -178.317 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 4.5 m80 -89.45 -48.23 7.47 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 113.748 1.018 . . . . 0.0 113.748 -176.849 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 42.3 m-85 -119.6 75.51 18.52 Favored Pre-proline 0 C--N 1.324 -0.511 0 N-CA-C 114.719 1.377 . . . . 0.0 114.719 -178.54 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 5.5 Cg_endo -72.61 0.83 7.0 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 123.82 1.432 . . . . 0.0 113.184 179.763 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 6.3 pm0 -117.5 21.57 12.95 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.267 0.979 . . . . 0.0 110.678 179.876 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . 0.255 1.1 m-30 -123.02 115.52 22.01 Favored 'General case' 0 N--CA 1.447 -0.575 0 CA-C-N 115.018 -0.992 . . . . 0.0 109.922 179.816 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 85.9 m-20 -86.92 104.41 16.22 Favored 'General case' 0 C--N 1.323 -0.578 0 O-C-N 124.407 1.067 . . . . 0.0 108.236 178.233 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.761 HG21 ' CD2' ' A' ' 25' ' ' PHE . 3.4 t -85.57 151.16 3.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.515 1.134 . . . . 0.0 110.589 -179.05 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 34.6 m-85 -136.62 119.76 16.61 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 114.85 -1.068 . . . . 0.0 110.434 179.537 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.785 ' CE1' HG13 ' A' ' 18' ' ' VAL . 55.5 m-85 -92.09 138.3 31.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.261 0.975 . . . . 0.0 111.543 -179.707 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.437 HD23 ' O ' ' A' ' 36' ' ' PHE . 0.8 OUTLIER -143.78 155.09 59.74 Favored Pre-proline 0 C--N 1.326 -0.427 0 O-C-N 124.354 1.034 . . . . 0.0 109.079 179.861 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -77.01 148.77 28.1 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.54 1.811 . . . . 0.0 110.963 -179.638 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.452 ' CG ' ' N ' ' A' ' 40' ' ' GLY . 66.7 tt0 -52.28 161.88 0.58 Allowed 'General case' 0 C--N 1.327 -0.393 0 O-C-N 124.453 1.096 . . . . 0.0 110.513 -179.905 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.452 ' N ' ' CG ' ' A' ' 39' ' ' GLU . . . 78.34 16.11 80.0 Favored Glycine 0 CA--C 1.528 0.865 0 O-C-N 124.47 1.106 . . . . 0.0 112.477 179.756 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.452 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 5.9 t -106.9 38.4 0.08 OUTLIER Pre-proline 0 C--O 1.249 1.078 0 N-CA-C 118.326 2.713 . . . . 0.0 118.326 179.281 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.452 ' CD ' ' N ' ' A' ' 41' ' ' SER . 19.7 Cg_endo -68.91 134.07 28.82 Favored 'Trans proline' 0 C--N 1.36 1.154 0 C-N-CA 121.459 1.439 . . . . 0.0 110.788 -179.645 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.55 HG13 ' N ' ' A' ' 44' ' ' THR . 1.0 OUTLIER -149.16 -159.4 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 114.961 -1.018 . . . . 0.0 108.954 -179.833 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.55 ' N ' HG13 ' A' ' 43' ' ' VAL . 2.0 p -80.04 99.16 7.54 Favored 'General case' 0 N--CA 1.452 -0.364 0 O-C-N 125.283 1.614 . . . . 0.0 109.885 178.331 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -87.09 81.77 7.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.173 0.92 . . . . 0.0 110.812 -178.931 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.898 ' O ' ' OXT' ' A' ' 70' ' ' GLY . 0.9 OUTLIER -55.69 168.82 0.38 Allowed 'General case' 0 N--CA 1.446 -0.64 0 O-C-N 124.256 0.972 . . . . 0.0 109.492 179.19 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 15.2 tp -82.83 77.76 9.52 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 115.225 -0.898 . . . . 0.0 113.396 -178.245 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.836 ' HG2' ' OXT' ' A' ' 70' ' ' GLY . 7.1 mmm180 -99.83 96.03 7.31 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.163 -0.926 . . . . 0.0 109.618 179.489 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 10.4 m-30 -68.16 -27.2 66.22 Favored 'General case' 0 CA--C 1.534 0.334 0 O-C-N 124.262 0.977 . . . . 0.0 111.404 -179.34 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -92.09 -9.15 43.69 Favored 'General case' 0 N--CA 1.449 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 112.152 -179.453 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.589 HH22 HH21 ' A' ' 48' ' ' ARG . 1.7 ttp180 -114.7 125.5 53.8 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 123.989 0.805 . . . . 0.0 110.915 -178.938 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.615 HG22 HG13 ' A' ' 69' ' ' VAL . 0.3 OUTLIER -120.3 117.42 53.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 O-C-N 124.368 1.043 . . . . 0.0 110.175 179.956 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 12.0 mtp85 -87.88 135.75 33.26 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 114.977 -1.01 . . . . 0.0 110.796 179.655 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.433 HG11 ' CE1' ' A' ' 36' ' ' PHE . 74.6 t -123.19 150.72 27.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.209 0.943 . . . . 0.0 109.605 -179.868 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 56.5 m-85 -125.15 139.18 53.99 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.458 1.099 . . . . 0.0 111.121 179.817 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 36.2 p90 -143.62 159.75 41.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 0.0 110.438 179.763 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -66.88 142.86 97.69 Favored Pre-proline 0 C--N 1.327 -0.378 0 O-C-N 124.563 1.164 . . . . 0.0 109.691 -179.274 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_endo -81.08 10.24 3.49 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.296 1.682 . . . . 0.0 112.535 -179.89 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -111.94 -85.54 1.52 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.246 0.966 . . . . 0.0 112.317 -179.55 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 10.2 t -77.21 -13.08 60.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.332 0.666 . . . . 0.0 112.211 -179.249 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 4.6 m120 70.47 73.62 0.21 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.418 1.074 . . . . 0.0 108.891 -179.554 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.731 HG22 HG22 ' A' ' 17' ' ' THR . 9.5 t -141.33 134.45 30.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.655 1.222 . . . . 0.0 110.13 -179.616 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 38.1 t -69.95 121.87 20.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.37 1.044 . . . . 0.0 109.032 179.333 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.403 ' ND2' ' CE1' ' A' ' 65' ' ' HIS . 1.5 p30 -135.35 27.54 3.43 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.604 1.19 . . . . 0.0 109.071 179.813 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.403 ' CE1' ' ND2' ' A' ' 64' ' ' ASN . 30.9 m80 -143.66 124.53 14.28 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 114.794 -1.094 . . . . 0.0 108.878 179.45 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 85.5 t -53.13 109.65 1.59 Allowed Pre-proline 0 C--N 1.323 -0.577 0 O-C-N 125.041 1.463 . . . . 0.0 109.327 -179.973 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 28.6 Cg_endo -77.44 145.49 23.76 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.473 1.775 . . . . 0.0 110.696 -179.628 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.427 ' HB3' ' HB3' ' A' ' 9' ' ' SER . 1.6 p-80 -148.94 163.19 38.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.373 1.046 . . . . 0.0 109.697 -179.636 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.615 HG13 HG22 ' A' ' 52' ' ' VAL . 1.7 t -85.4 141.37 14.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.606 1.191 . . . . 0.0 108.878 179.468 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.898 ' OXT' ' O ' ' A' ' 46' ' ' ASP . . . . . . . . 0 CA--C 1.531 1.036 0 O-C-N 124.287 0.992 . . . . 0.0 110.748 -179.883 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 CA-C-O 120.493 0.187 . . . . 0.0 110.567 . . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -90.89 46.47 1.33 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.478 1.111 . . . . 0.0 110.317 179.957 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 52.53 20.58 1.52 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.102 . . . . 0.0 111.793 179.935 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -126.24 -7.95 5.19 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.35 1.031 . . . . 0.0 113.142 -179.963 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.2 t 53.98 -98.29 0.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.253 0.62 . . . . 0.0 111.004 179.684 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.494 ' HB3' HD22 ' A' ' 7' ' ' LEU . 0.8 OUTLIER -148.31 143.78 27.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.067 0.854 . . . . 0.0 110.093 179.854 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.522 ' N ' HD13 ' A' ' 7' ' ' LEU . 0.2 OUTLIER 69.56 106.33 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 109.175 -179.634 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 39.0 mttt -67.05 151.65 47.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.427 1.079 . . . . 0.0 109.435 -179.878 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 57.3 m -148.81 147.86 29.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.863 -179.881 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -136.27 76.67 49.89 Favored Pre-proline 0 C--N 1.326 -0.425 0 O-C-N 124.516 1.135 . . . . 0.0 111.126 179.886 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 10.4 Cg_endo -67.65 -17.62 48.0 Favored 'Trans proline' 0 C--N 1.365 1.414 0 O-C-N 124.038 1.546 . . . . 0.0 112.429 -179.13 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -78.15 5.85 9.27 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.16 0.913 . . . . 0.0 112.543 -179.344 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 11.0 t -103.16 38.49 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.004 0.815 . . . . 0.0 109.697 -179.748 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 53.6 t -102.24 134.65 42.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.426 1.079 . . . . 0.0 109.127 179.832 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 99.83 -25.55 27.84 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.461 1.101 . . . . 0.0 110.702 -179.758 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.417 ' HG2' ' HG3' ' A' ' 20' ' ' GLN . 3.3 mptt -72.05 164.55 25.95 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 179.773 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.52 HG23 ' HB2' ' A' ' 20' ' ' GLN . 0.5 OUTLIER -108.71 168.48 9.31 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.405 1.065 . . . . 0.0 110.018 -179.466 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.495 HG13 ' CE1' ' A' ' 36' ' ' PHE . 21.3 t -45.91 -59.8 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.519 0 O-C-N 124.014 0.821 . . . . 0.0 112.532 -179.502 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -56.44 -35.86 68.34 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.008 0.817 . . . . 0.0 110.534 -179.208 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.52 ' HB2' HG23 ' A' ' 17' ' ' THR . 0.0 OUTLIER -63.5 -52.4 61.43 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.284 0.99 . . . . 0.0 110.198 -179.832 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.91 -2.41 15.01 Favored 'General case' 0 N--CA 1.452 -0.351 0 O-C-N 124.589 1.181 . . . . 0.0 113.253 -179.634 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.3 tpm_? -82.91 -46.42 12.98 Favored 'General case' 0 C--N 1.321 -0.657 0 O-C-N 124.631 1.207 . . . . 0.0 109.627 179.752 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -69.86 -27.5 64.89 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 114.668 -1.151 . . . . 0.0 110.105 179.691 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.408 ' C ' ' CD1' ' A' ' 24' ' ' TYR . 7.7 t80 -65.07 -51.74 59.69 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.547 1.154 . . . . 0.0 111.004 179.993 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.418 ' CD2' HG21 ' A' ' 34' ' ' VAL . 13.9 m-85 -67.8 -36.59 80.7 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.647 1.217 . . . . 0.0 110.888 -179.938 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 18.4 m -57.01 -30.73 64.43 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.186 0.929 . . . . 0.0 110.977 179.856 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 26.4 mt -86.31 -49.14 7.89 Favored 'General case' 0 C--O 1.238 0.494 0 N-CA-C 114.713 1.375 . . . . 0.0 114.713 -177.798 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 4.9 m170 -92.4 -52.37 4.7 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 114.08 1.141 . . . . 0.0 114.08 -177.48 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.445 ' HB3' ' CD2' ' A' ' 32' ' ' TYR . 49.7 m-85 -118.31 53.15 1.68 Allowed Pre-proline 0 N--CA 1.45 -0.44 0 N-CA-C 114.82 1.415 . . . . 0.0 114.82 -178.187 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 20.0 Cg_endo -67.29 -8.02 20.76 Favored 'Trans proline' 0 C--N 1.358 1.078 0 O-C-N 123.913 1.48 . . . . 0.0 112.536 179.744 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -96.28 26.32 4.37 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.167 0.917 . . . . 0.0 113.124 -179.03 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.445 ' CD2' ' HB3' ' A' ' 29' ' ' TYR . 0.4 OUTLIER -124.32 142.63 51.11 Favored 'General case' 0 CA--C 1.545 0.769 0 O-C-N 124.036 0.835 . . . . 0.0 108.948 179.597 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -86.4 97.43 10.45 Favored 'General case' 0 C--N 1.323 -0.578 0 O-C-N 124.922 1.389 . . . . 0.0 108.015 177.941 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.418 HG21 ' CD2' ' A' ' 25' ' ' PHE . 2.2 t -85.31 141.92 13.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.695 1.247 . . . . 0.0 111.204 -178.938 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.509 ' CE2' ' HD3' ' A' ' 51' ' ' ARG . 2.3 m-30 -117.16 154.02 31.81 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 114.936 -1.029 . . . . 0.0 110.431 179.156 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.495 ' CE1' HG13 ' A' ' 18' ' ' VAL . 4.5 m-85 -135.06 106.11 6.65 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.709 1.256 . . . . 0.0 110.759 179.717 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.577 HD13 ' HG3' ' A' ' 42' ' ' PRO . 0.0 OUTLIER -146.0 179.77 1.1 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.36 1.038 . . . . 0.0 109.081 -179.898 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.486 ' CD ' ' CB ' ' A' ' 37' ' ' LEU . 9.4 Cg_endo -72.81 162.88 39.98 Favored 'Trans proline' 0 C--N 1.359 1.082 0 O-C-N 124.555 1.818 . . . . 0.0 110.75 179.529 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.522 ' HB3' ' CD2' ' A' ' 65' ' ' HIS . 0.0 OUTLIER -79.85 136.13 36.62 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 114.909 -1.041 . . . . 0.0 112.482 -179.192 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 78.3 13.85 82.84 Favored Glycine 0 CA--C 1.529 0.93 0 CA-C-N 115.068 -0.969 . . . . 0.0 112.968 179.086 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.476 ' HB3' ' HD3' ' A' ' 42' ' ' PRO . 1.4 t -87.36 -54.63 0.37 Allowed Pre-proline 0 N--CA 1.452 -0.36 0 O-C-N 124.574 0.808 . . . . 0.0 110.865 177.948 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.577 ' HG3' HD13 ' A' ' 37' ' ' LEU . 52.3 Cg_endo -87.65 164.18 7.81 Favored 'Trans proline' 0 C--N 1.358 1.026 0 O-C-N 123.909 1.478 . . . . 0.0 111.547 -179.366 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.542 HG13 ' N ' ' A' ' 44' ' ' THR . 0.9 OUTLIER -143.13 -161.73 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 178.88 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.542 ' N ' HG13 ' A' ' 43' ' ' VAL . 0.6 OUTLIER -93.94 82.91 4.27 Favored 'General case' 0 CA--C 1.54 0.583 0 O-C-N 125.018 1.449 . . . . 0.0 109.461 177.685 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 15.2 mt -69.72 -70.87 0.26 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 113.664 -1.607 . . . . 0.0 108.696 179.95 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -116.91 -1.68 11.94 Favored 'General case' 0 N--CA 1.446 -0.641 0 CA-C-N 114.831 -1.077 . . . . 0.0 111.811 -179.484 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.52 ' C ' HD22 ' A' ' 47' ' ' LEU . 0.3 OUTLIER 65.12 97.81 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.947 0.88 . . . . 0.0 109.313 -179.799 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.607 ' CG ' HH11 ' A' ' 48' ' ' ARG . 3.5 mmt-85 -91.68 136.16 33.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 114.427 -1.26 . . . . 0.0 110.447 -179.593 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 57.2 m-85 -93.23 -44.94 8.08 Favored 'General case' 0 CA--C 1.538 0.512 0 N-CA-C 114.123 1.157 . . . . 0.0 114.123 -179.018 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 46.6 p-10 -93.45 -9.43 38.55 Favored 'General case' 0 C--N 1.323 -0.565 0 O-C-N 124.701 1.251 . . . . 0.0 112.422 -178.423 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.509 ' HD3' ' CE2' ' A' ' 35' ' ' TYR . 12.3 ttm180 -94.36 122.35 36.83 Favored 'General case' 0 C--N 1.323 -0.584 0 O-C-N 124.024 0.827 . . . . 0.0 110.318 -179.278 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.588 HG22 HG22 ' A' ' 69' ' ' VAL . 48.5 t -104.19 119.8 53.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 O-C-N 124.335 1.022 . . . . 0.0 110.088 -179.94 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.749 ' NH2' ' OXT' ' A' ' 70' ' ' GLY . 25.8 mtm-85 -88.72 120.62 30.28 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.121 -0.945 . . . . 0.0 111.197 179.807 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 10.8 t -113.1 144.99 19.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.267 0.98 . . . . 0.0 109.182 179.959 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.433 ' HB2' ' HB2' ' A' ' 65' ' ' HIS . 21.0 m-85 -123.68 140.86 52.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.552 1.157 . . . . 0.0 111.242 -179.819 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 11.3 p90 -146.48 169.56 18.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 110.405 -179.962 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.414 ' ND2' ' HD2' ' A' ' 58' ' ' PRO . 7.0 t-20 -94.14 137.77 22.79 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.212 0.945 . . . . 0.0 110.239 -179.34 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.414 ' HD2' ' ND2' ' A' ' 57' ' ' ASN . 26.5 Cg_endo -79.1 -17.21 11.99 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.307 1.688 . . . . 0.0 111.71 179.511 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -51.53 -28.09 20.24 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.356 1.035 . . . . 0.0 110.877 179.97 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.485 HG23 ' H ' ' A' ' 61' ' ' ASN . 0.0 OUTLIER -160.58 -72.12 0.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.424 0.72 . . . . 0.0 110.362 179.601 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.485 ' H ' HG23 ' A' ' 60' ' ' THR . 4.8 m-20 159.16 82.76 0.0 OUTLIER 'General case' 0 CA--C 1.543 0.698 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 178.219 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 40.3 t -142.41 158.67 19.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 O-C-N 124.582 1.176 . . . . 0.0 109.391 -179.686 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 55.9 t -101.5 117.86 47.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.365 1.041 . . . . 0.0 108.976 179.686 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -128.26 27.58 5.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.816 1.322 . . . . 0.0 109.427 -179.819 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.522 ' CD2' ' HB3' ' A' ' 39' ' ' GLU . 93.0 m-70 -148.51 125.2 11.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.412 179.793 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 78.3 t -53.29 109.67 1.61 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.621 1.2 . . . . 0.0 109.444 -179.993 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_endo -80.76 115.95 3.13 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.508 1.794 . . . . 0.0 110.748 179.669 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 7.2 p-80 -130.15 162.62 28.44 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.277 0.986 . . . . 0.0 110.168 -179.901 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.588 HG22 HG22 ' A' ' 52' ' ' VAL . 37.1 t -92.17 159.4 2.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 O-C-N 124.441 1.088 . . . . 0.0 109.138 179.892 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.749 ' OXT' ' NH2' ' A' ' 53' ' ' ARG . . . . . . . . 0 CA--C 1.53 1.007 0 O-C-N 124.504 1.128 . . . . 0.0 110.936 -179.889 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 1' ' ' THR . . . . . 0.505 ' HA ' ' CE2' ' A' ' 3' ' ' PHE . 14.2 p . . . . . 0 N--CA 1.451 -0.39 0 N-CA-C 112.292 0.478 . . . . 0.0 112.292 . . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -102.23 56.88 0.8 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.186 0.929 . . . . 0.0 110.247 179.975 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.505 ' CE2' ' HA ' ' A' ' 1' ' ' THR . 44.2 m-85 -94.6 61.23 2.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 110.996 -179.902 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -140.52 10.49 2.94 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.406 1.067 . . . . 0.0 112.699 -179.768 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.7 t -48.93 -75.94 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.23 0.606 . . . . 0.0 112.122 -179.116 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -134.78 143.27 47.01 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.431 1.082 . . . . 0.0 111.298 -179.443 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 80.8 mt -149.75 173.67 13.46 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 114.884 -1.053 . . . . 0.0 109.572 179.913 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.3 mttt -71.55 122.33 20.3 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 114.994 -1.003 . . . . 0.0 109.503 -179.826 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.423 ' C ' ' CD1' ' A' ' 10' ' ' PHE . 0.3 OUTLIER -149.27 146.53 27.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.386 1.054 . . . . 0.0 109.805 -179.913 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.423 ' CD1' ' C ' ' A' ' 9' ' ' SER . 0.5 OUTLIER -129.73 76.25 78.66 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.6 1.188 . . . . 0.0 111.456 179.986 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.408 ' HA ' HG13 ' A' ' 66' ' ' VAL . 11.8 Cg_endo -67.29 -44.04 5.34 Favored 'Trans proline' 0 C--N 1.367 1.511 0 O-C-N 123.701 1.369 . . . . 0.0 113.566 -178.822 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.33 -15.37 47.77 Favored 'General case' 0 N--CA 1.448 -0.544 0 O-C-N 124.33 1.019 . . . . 0.0 110.778 -179.759 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.544 HG13 ' HE3' ' A' ' 16' ' ' LYS . 17.3 t -90.88 45.96 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.377 1.048 . . . . 0.0 110.018 -179.552 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.764 HG21 HG22 ' A' ' 66' ' ' VAL . 99.0 t -127.9 145.85 34.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.352 1.033 . . . . 0.0 108.87 179.576 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 99.34 -21.54 45.03 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.402 1.064 . . . . 0.0 110.901 -179.485 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.544 ' HE3' HG13 ' A' ' 13' ' ' VAL . 2.9 mttt -73.01 -157.79 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.251 -1.018 . . . . 0.0 108.251 179.71 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -131.42 161.05 33.36 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.434 1.084 . . . . 0.0 110.172 179.712 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.616 HG22 ' CD1' ' A' ' 36' ' ' PHE . 44.1 t -47.61 -48.87 10.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.547 1.154 . . . . 0.0 112.369 -179.388 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -54.95 -42.09 71.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.064 0.852 . . . . 0.0 112.669 -178.593 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 20.6 mm-40 -62.16 -55.04 32.63 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.321 1.013 . . . . 0.0 109.799 -179.769 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.43 -0.34 12.28 Favored 'General case' 0 C--N 1.327 -0.374 0 O-C-N 124.783 1.302 . . . . 0.0 113.282 -179.344 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.443 ' HD3' ' HA ' ' A' ' 22' ' ' ARG . 19.9 tpp85 -82.4 -46.66 13.23 Favored 'General case' 0 C--N 1.322 -0.592 0 O-C-N 124.522 1.139 . . . . 0.0 109.608 -179.981 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -75.38 -25.39 57.62 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 114.688 -1.142 . . . . 0.0 110.733 -179.89 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 59.0 t80 -75.45 -49.29 19.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.404 1.065 . . . . 0.0 112.721 -179.259 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 11.2 m-30 -71.85 -21.33 61.69 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.345 1.028 . . . . 0.0 111.633 -179.432 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 4.3 m -78.74 -34.89 45.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.366 1.041 . . . . 0.0 112.428 -179.288 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.406 HD23 ' HA ' ' A' ' 27' ' ' LEU . 17.2 mt -89.81 -46.99 8.19 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 113.637 0.977 . . . . 0.0 113.637 -178.26 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.516 ' HB2' ' CD1' ' A' ' 29' ' ' TYR . 16.9 m80 -86.67 -33.7 19.99 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.134 0.896 . . . . 0.0 113.009 -177.887 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.516 ' CD1' ' HB2' ' A' ' 28' ' ' HIS . 11.9 m-85 -119.27 52.48 1.91 Allowed Pre-proline 0 C--N 1.323 -0.548 0 N-CA-C 113.709 1.003 . . . . 0.0 113.709 -178.865 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.412 ' CD ' ' N ' ' A' ' 29' ' ' TYR . 19.7 Cg_endo -65.92 -21.17 57.53 Favored 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 123.997 1.525 . . . . 0.0 114.003 -178.997 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 8.4 pm0 -89.98 15.2 10.45 Favored 'General case' 0 N--CA 1.451 -0.416 0 O-C-N 124.021 0.825 . . . . 0.0 112.67 -178.838 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.504 ' CE2' HG21 ' A' ' 69' ' ' VAL 0.256 1.1 m-30 -123.12 132.67 54.17 Favored 'General case' 0 C--N 1.322 -0.599 0 O-C-N 124.223 0.952 . . . . 0.0 109.747 179.682 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 -88.38 96.06 10.44 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.456 1.098 . . . . 0.0 108.369 178.466 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.567 HG22 ' HB ' ' A' ' 52' ' ' VAL . 2.7 t -85.84 149.35 4.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.604 1.19 . . . . 0.0 110.504 -179.303 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.514 ' CE2' ' HD3' ' A' ' 51' ' ' ARG . 4.4 m-30 -134.34 156.96 47.56 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 115.009 -0.996 . . . . 0.0 109.991 179.181 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.616 ' CD1' HG22 ' A' ' 18' ' ' VAL . 34.3 m-85 -136.71 99.77 4.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.913 1.383 . . . . 0.0 110.706 179.794 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.426 ' HB3' ' HD2' ' A' ' 38' ' ' PRO . 0.3 OUTLIER -123.51 168.61 12.0 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 109.089 -179.911 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.426 ' HD2' ' HB3' ' A' ' 37' ' ' LEU . 22.9 Cg_endo -77.74 147.37 24.6 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.458 1.767 . . . . 0.0 111.566 -179.493 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.63 -174.51 0.05 OUTLIER 'General case' 0 N--CA 1.447 -0.582 0 O-C-N 124.429 1.081 . . . . 0.0 110.658 179.73 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 87.6 18.18 57.18 Favored Glycine 0 CA--C 1.528 0.86 0 O-C-N 124.568 1.168 . . . . 0.0 114.9 178.696 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.452 ' HB2' ' HD2' ' A' ' 42' ' ' PRO . 0.5 OUTLIER -87.5 162.72 41.6 Favored Pre-proline 0 C--N 1.33 -0.278 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 177.889 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.452 ' HD2' ' HB2' ' A' ' 41' ' ' SER . 9.7 Cg_endo -55.19 -89.41 0.0 OUTLIER 'Trans proline' 0 C--N 1.358 1.06 0 O-C-N 124.362 1.717 . . . . 0.0 112.387 -179.373 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.555 HG12 ' HG ' ' A' ' 45' ' ' LEU . 0.5 OUTLIER -139.67 -157.99 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.521 0 O-C-N 124.155 0.909 . . . . 0.0 110.328 -179.482 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.541 ' N ' HG13 ' A' ' 43' ' ' VAL . 22.7 p -95.76 41.53 1.1 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 113.981 -1.463 . . . . 0.0 109.406 179.736 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.555 ' HG ' HG12 ' A' ' 43' ' ' VAL . 31.4 mt -47.01 -32.2 3.77 Favored 'General case' 0 N--CA 1.45 -0.471 0 O-C-N 125.181 1.551 . . . . 0.0 111.466 -179.728 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.485 ' HB2' ' CD ' ' A' ' 48' ' ' ARG . 0.6 OUTLIER -71.79 141.66 49.69 Favored 'General case' 0 N--CA 1.447 -0.609 0 O-C-N 124.461 1.1 . . . . 0.0 109.957 -179.965 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.439 HD11 ' CE2' ' A' ' 49' ' ' TYR . 9.0 tp -121.56 51.01 1.34 Allowed 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.346 1.029 . . . . 0.0 110.179 -179.639 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.485 ' CD ' ' HB2' ' A' ' 46' ' ' ASP . 2.6 mpt_? -99.96 105.1 16.76 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 114.97 -1.014 . . . . 0.0 109.654 179.549 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.439 ' CE2' HD11 ' A' ' 47' ' ' LEU . 81.2 m-85 -74.87 -31.6 61.66 Favored 'General case' 0 N--CA 1.452 -0.336 0 O-C-N 124.126 0.891 . . . . 0.0 113.359 -178.55 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.4 p-10 -89.18 -9.71 49.85 Favored 'General case' 0 C--N 1.323 -0.56 0 O-C-N 124.572 1.17 . . . . 0.0 111.909 179.676 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.514 ' HD3' ' CE2' ' A' ' 35' ' ' TYR . 6.5 ttm180 -110.32 125.41 53.14 Favored 'General case' 0 C--N 1.321 -0.634 0 O-C-N 124.058 0.849 . . . . 0.0 109.84 -179.276 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 1.002 HG22 HG22 ' A' ' 69' ' ' VAL . 40.1 t -101.32 143.93 13.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.473 1.108 . . . . 0.0 109.544 179.95 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 3.2 mtt180 -118.18 97.04 5.59 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.386 1.054 . . . . 0.0 109.677 179.696 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.466 HG13 ' HB3' ' A' ' 67' ' ' PRO . 15.8 t -91.72 140.59 15.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.753 1.283 . . . . 0.0 109.358 -179.864 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.409 ' HB2' ' HB2' ' A' ' 65' ' ' HIS . 21.6 m-30 -117.86 139.04 51.66 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.604 1.19 . . . . 0.0 110.763 179.745 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 18.6 p90 -148.33 166.07 29.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 110.642 -179.769 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.404 ' HA ' ' HD3' ' A' ' 58' ' ' PRO . 3.9 t-20 -101.92 126.5 33.63 Favored Pre-proline 0 C--N 1.324 -0.503 0 CA-C-N 114.91 -1.041 . . . . 0.0 108.758 179.891 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 57' ' ' ASN . 4.1 Cg_exo -65.11 -15.6 51.1 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.563 1.823 . . . . 0.0 111.865 -179.596 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -51.36 -56.91 12.95 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.285 0.991 . . . . 0.0 111.624 -179.786 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.403 HG23 ' CG2' ' A' ' 62' ' ' VAL . 9.3 t -134.27 25.45 3.84 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.533 0.784 . . . . 0.0 110.245 -179.694 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 46.58 43.35 12.35 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 115.375 -0.83 . . . . 0.0 111.27 179.633 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.403 ' CG2' HG23 ' A' ' 60' ' ' THR . 7.1 t -110.53 143.67 20.06 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.356 0 CA-C-N 114.802 -1.09 . . . . 0.0 110.523 179.965 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 94.2 t -85.38 142.63 12.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 114.748 -1.114 . . . . 0.0 109.638 179.935 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -143.57 25.36 1.67 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.134 . . . . 0.0 110.042 -179.984 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.409 ' HB2' ' HB2' ' A' ' 55' ' ' PHE . 97.8 m-70 -148.31 124.58 10.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.371 1.044 . . . . 0.0 109.506 179.755 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.764 HG22 HG21 ' A' ' 14' ' ' VAL . 60.3 t -56.46 110.72 2.55 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.514 1.134 . . . . 0.0 109.912 -179.928 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.466 ' HB3' HG13 ' A' ' 54' ' ' VAL . 41.1 Cg_endo -82.47 86.28 1.53 Allowed 'Trans proline' 0 C--N 1.358 1.069 0 O-C-N 124.455 1.766 . . . . 0.0 110.681 179.439 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -90.23 162.26 15.31 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.305 1.003 . . . . 0.0 109.973 -179.838 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 1.002 HG22 HG22 ' A' ' 52' ' ' VAL . 1.5 t -97.79 148.68 5.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.518 1.136 . . . . 0.0 109.384 179.957 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.062 0 O-C-N 124.445 1.091 . . . . 0.0 110.981 179.905 . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 8.1 m . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 110.356 -0.239 . . . . 0.0 110.356 . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -145.97 30.66 1.06 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 110.252 -179.968 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 32.5 m-85 -102.59 -39.1 7.23 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.447 1.092 . . . . 0.0 110.942 179.976 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 117.4 -4.3 17.81 Favored Glycine 0 CA--C 1.528 0.875 0 O-C-N 124.468 1.105 . . . . 0.0 112.844 179.982 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.7 t 54.77 81.08 0.11 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.115 0.538 . . . . 0.0 110.117 -179.985 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -144.64 90.62 2.09 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 110.19 -179.966 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 48.4 mt -107.05 144.41 33.75 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.494 1.121 . . . . 0.0 109.656 -179.963 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 13.8 mttt -70.33 135.46 48.87 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.373 1.046 . . . . 0.0 109.251 179.845 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 94.9 p -148.76 141.79 24.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 110.363 -179.796 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -123.0 99.74 40.76 Favored Pre-proline 0 C--N 1.327 -0.411 0 O-C-N 124.382 1.052 . . . . 0.0 110.934 179.636 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_endo -76.97 1.22 8.88 Favored 'Trans proline' 0 C--N 1.364 1.358 0 O-C-N 124.143 1.602 . . . . 0.0 112.863 -179.599 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -71.2 -22.08 62.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.094 0.871 . . . . 0.0 110.926 -179.749 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.441 HG21 ' HB2' ' A' ' 21' ' ' ALA . 10.8 p -106.64 42.79 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.441 1.088 . . . . 0.0 110.052 -179.666 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.459 HG21 HG22 ' A' ' 66' ' ' VAL . 5.0 t -106.03 113.16 42.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 109.101 179.603 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 116.4 -19.2 13.14 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.467 1.104 . . . . 0.0 111.151 -179.393 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.467 ' O ' HG13 ' A' ' 62' ' ' VAL . 0.7 OUTLIER -73.68 -158.83 0.06 Allowed 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 179.903 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -131.62 165.95 22.52 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.458 1.099 . . . . 0.0 109.775 179.945 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.432 HG22 ' CD1' ' A' ' 36' ' ' PHE . 35.8 t -47.48 -48.29 10.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 123.974 0.796 . . . . 0.0 112.522 -179.443 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -54.44 -41.72 69.73 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 113.015 0.746 . . . . 0.0 113.015 -178.444 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 26.3 mm-40 -63.74 -51.32 65.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.152 0.908 . . . . 0.0 110.346 -179.44 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.441 ' HB2' HG21 ' A' ' 13' ' ' VAL . . . -68.67 -4.36 15.35 Favored 'General case' 0 N--CA 1.453 -0.306 0 O-C-N 124.685 1.24 . . . . 0.0 113.302 -179.34 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.425 HH11 ' HD2' ' A' ' 22' ' ' ARG . 5.6 tpp85 -83.1 -46.49 12.72 Favored 'General case' 0 C--N 1.321 -0.631 0 O-C-N 124.782 1.301 . . . . 0.0 109.426 179.82 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -75.08 -30.81 61.04 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 114.811 -1.086 . . . . 0.0 111.228 -179.73 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 18.0 t80 -67.94 -48.72 65.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.313 1.008 . . . . 0.0 111.977 -179.545 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 18.4 m-85 -73.04 -18.3 61.34 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.564 1.165 . . . . 0.0 111.641 -179.596 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.4 m -74.23 -34.48 63.68 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.211 0.945 . . . . 0.0 110.995 179.809 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 16.5 mt -86.9 -44.93 11.29 Favored 'General case' 0 N--CA 1.448 -0.535 0 N-CA-C 114.516 1.302 . . . . 0.0 114.516 -178.051 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -80.93 -42.39 21.41 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.083 0.864 . . . . 0.0 112.329 -178.722 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 47.4 m-85 -120.45 75.29 24.6 Favored Pre-proline 0 C--N 1.323 -0.561 0 N-CA-C 114.278 1.214 . . . . 0.0 114.278 -178.883 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_endo -81.4 11.29 3.11 Favored 'Trans proline' 0 C--N 1.358 1.064 0 O-C-N 123.792 1.417 . . . . 0.0 112.734 179.561 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -127.85 22.49 6.28 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.311 1.007 . . . . 0.0 110.692 -179.552 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.411 ' CD1' HG23 ' A' ' 52' ' ' VAL 0.253 4.0 m-85 -125.25 128.73 48.75 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.036 -0.984 . . . . 0.0 110.56 -179.392 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -90.4 98.94 12.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.296 0.997 . . . . 0.0 108.358 178.533 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 4.2 t -85.02 151.1 3.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 O-C-N 124.539 1.15 . . . . 0.0 111.196 -179.084 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -131.0 147.74 52.67 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 114.896 -1.047 . . . . 0.0 110.726 179.352 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.432 ' CD1' HG22 ' A' ' 18' ' ' VAL . 16.2 m-85 -129.2 121.58 27.96 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.588 1.18 . . . . 0.0 110.927 -179.957 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -146.05 170.51 7.81 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.264 0.977 . . . . 0.0 109.076 179.916 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 20.3 Cg_endo -75.89 131.48 13.33 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.534 1.808 . . . . 0.0 110.804 179.834 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.481 ' CB ' ' CD2' ' A' ' 65' ' ' HIS . 2.7 pp20? -61.71 155.73 21.99 Favored 'General case' 0 N--CA 1.449 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 111.33 -179.806 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 104.4 -17.44 47.06 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.395 1.059 . . . . 0.0 112.459 179.593 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 17.2 p -103.53 102.14 27.96 Favored Pre-proline 0 C--O 1.253 1.286 0 CA-C-O 118.065 -0.969 . . . . 0.0 111.604 178.688 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -79.64 172.59 14.11 Favored 'Trans proline' 0 C--N 1.357 1.003 0 O-C-N 123.458 1.241 . . . . 0.0 110.654 179.223 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.552 HG13 ' N ' ' A' ' 44' ' ' THR . 0.9 OUTLIER -149.18 -159.73 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.23 0.956 . . . . 0.0 109.088 -179.995 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.552 ' N ' HG13 ' A' ' 43' ' ' VAL . 0.6 OUTLIER -92.44 92.41 8.08 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 114.216 -1.356 . . . . 0.0 109.28 177.874 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.452 ' HA ' ' NH2' ' A' ' 48' ' ' ARG . 2.5 mt -93.12 64.66 3.86 Favored 'General case' 0 N--CA 1.45 -0.451 0 O-C-N 124.585 1.178 . . . . 0.0 110.878 -178.952 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.519 ' C ' HH12 ' A' ' 48' ' ' ARG . 0.9 OUTLIER -67.93 -99.85 0.0 OUTLIER 'General case' 0 N--CA 1.446 -0.646 0 O-C-N 124.457 1.098 . . . . 0.0 109.883 179.666 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.711 HD11 ' CE2' ' A' ' 49' ' ' TYR . 2.4 tm? -138.43 105.13 5.34 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 123.763 0.664 . . . . 0.0 110.379 -179.672 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 1.022 ' NH2' ' OXT' ' A' ' 70' ' ' GLY . 0.1 OUTLIER -130.89 89.99 2.83 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.333 1.02 . . . . 0.0 110.378 179.98 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.711 ' CE2' HD11 ' A' ' 47' ' ' LEU . 15.1 m-30 -76.37 -26.72 55.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.135 . . . . 0.0 110.619 179.847 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -92.0 -26.73 18.23 Favored 'General case' 0 C--O 1.238 0.454 0 O-C-N 124.605 1.191 . . . . 0.0 113.864 -178.54 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.42 ' HB3' ' HB3' ' A' ' 48' ' ' ARG . 7.1 ttm180 -101.51 130.53 47.79 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 123.801 0.688 . . . . 0.0 110.809 -179.246 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 1.04 ' CG2' HG22 ' A' ' 69' ' ' VAL . 37.7 t -116.55 146.77 20.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.562 1.164 . . . . 0.0 108.906 179.443 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.411 ' NH1' ' HD3' ' A' ' 51' ' ' ARG . 3.0 mtt85 -117.23 138.96 51.37 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.63 1.206 . . . . 0.0 110.018 -179.975 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.467 HG13 ' HB3' ' A' ' 67' ' ' PRO . 40.9 t -128.37 151.32 35.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.617 1.198 . . . . 0.0 109.12 -179.896 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.443 ' O ' HG13 ' A' ' 63' ' ' VAL . 20.4 m-85 -123.89 138.36 54.5 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.638 1.211 . . . . 0.0 110.869 179.763 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 3.2 p90 -143.4 164.23 30.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.619 1.199 . . . . 0.0 110.876 179.64 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -86.82 112.78 49.51 Favored Pre-proline 0 C--N 1.323 -0.55 0 N-CA-C 107.808 -1.182 . . . . 0.0 107.808 179.287 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 8.5 Cg_endo -54.16 -15.1 7.32 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.342 1.706 . . . . 0.0 113.652 -178.763 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -75.68 -71.12 1.19 Allowed Glycine 0 CA--C 1.527 0.806 0 N-CA-C 115.948 1.139 . . . . 0.0 115.948 -178.549 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.418 HG23 ' CG2' ' A' ' 62' ' ' VAL . 13.9 t -101.04 16.53 25.07 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 112.224 0.453 . . . . 0.0 112.224 -178.66 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 50.88 46.37 26.26 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 115.421 -0.809 . . . . 0.0 111.399 178.815 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.467 HG13 ' O ' ' A' ' 16' ' ' LYS . 40.2 t -118.34 134.84 60.67 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.459 0 O-C-N 124.281 0.988 . . . . 0.0 112.043 -179.982 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.443 HG13 ' O ' ' A' ' 55' ' ' PHE . 9.4 t -75.9 113.13 14.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 114.726 -1.125 . . . . 0.0 109.053 179.087 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 20.8 p30 -106.22 -18.18 14.08 Favored 'General case' 0 N--CA 1.449 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 111.682 -179.324 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.481 ' CD2' ' CB ' ' A' ' 39' ' ' GLU . 3.9 m-70 -110.44 147.48 33.96 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.131 0.894 . . . . 0.0 110.753 -179.67 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.459 HG22 HG21 ' A' ' 14' ' ' VAL . 3.4 t -73.2 117.31 59.09 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.361 1.038 . . . . 0.0 109.069 179.72 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.467 ' HB3' HG13 ' A' ' 54' ' ' VAL . 21.8 Cg_endo -69.8 151.73 68.92 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.536 1.808 . . . . 0.0 110.788 -179.724 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.447 ' O ' HG13 ' A' ' 52' ' ' VAL . 1.7 p-80 -144.03 163.31 33.87 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.614 1.196 . . . . 0.0 109.753 -179.819 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 1.04 HG22 ' CG2' ' A' ' 52' ' ' VAL . 17.5 t -85.51 126.97 40.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.569 1.168 . . . . 0.0 108.967 179.423 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 1.022 ' OXT' ' NH2' ' A' ' 48' ' ' ARG . . . . . . . . 0 CA--C 1.53 1.025 0 N-CA-C 110.716 -0.954 . . . . 0.0 110.716 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.9 p . . . . . 0 N--CA 1.454 -0.255 0 CA-C-O 120.644 0.259 . . . . 0.0 110.382 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.427 ' HB3' ' HB ' ' A' ' 13' ' ' VAL . 9.6 m-85 -128.54 86.37 57.89 Favored Pre-proline 0 N--CA 1.451 -0.411 0 O-C-N 124.398 1.061 . . . . 0.0 111.53 179.777 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 4.4 Cg_exo -61.81 -56.79 0.67 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.391 1.732 . . . . 0.0 111.579 -179.34 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.9 tm-20 -51.47 -22.15 2.89 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.106 -0.952 . . . . 0.0 111.108 -179.646 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.427 ' HB ' ' HB3' ' A' ' 10' ' ' PHE . 6.1 t -98.32 49.32 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.094 . . . . 0.0 110.067 -179.808 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.584 HG21 HG22 ' A' ' 66' ' ' VAL . 46.9 t -134.47 110.76 13.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.422 1.076 . . . . 0.0 109.73 179.786 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 125.52 -19.69 6.64 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.444 1.09 . . . . 0.0 111.801 179.753 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 8.2 mttt -78.37 161.39 27.2 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.492 0.76 . . . . 0.0 109.226 -179.169 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.666 HG22 HG22 ' A' ' 62' ' ' VAL . 29.4 p -89.56 163.36 15.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 123.988 0.805 . . . . 0.0 110.782 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 12.9 t -48.1 -57.97 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 O-C-N 124.293 0.995 . . . . 0.0 111.918 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -54.81 -37.75 66.51 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.233 -0.894 . . . . 0.0 111.174 -178.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 7.3 mm100 -62.7 -54.56 37.48 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.543 1.152 . . . . 0.0 109.842 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.09 -0.41 13.94 Favored 'General case' 0 C--N 1.328 -0.358 0 O-C-N 124.753 1.283 . . . . 0.0 113.018 -179.687 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.1 ttm180 -81.63 -47.67 12.72 Favored 'General case' 0 C--N 1.322 -0.624 0 O-C-N 124.558 1.161 . . . . 0.0 109.737 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -76.65 -24.62 53.27 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 114.786 -1.097 . . . . 0.0 110.145 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 27.1 t80 -65.52 -49.9 67.25 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.429 1.08 . . . . 0.0 111.506 -179.628 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.612 ' CD2' HG21 ' A' ' 34' ' ' VAL . 3.4 m-85 -72.45 -23.79 61.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 111.05 -179.821 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 22.0 m -75.19 -31.75 61.04 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.228 0.955 . . . . 0.0 111.685 -179.706 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 17.0 mt -87.86 -45.08 10.59 Favored 'General case' 0 N--CA 1.45 -0.438 0 N-CA-C 113.841 1.052 . . . . 0.0 113.841 -178.224 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 29.8 m170 -84.58 -42.81 15.08 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.103 0.877 . . . . 0.0 113.267 -178.208 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 37.9 m-85 -121.48 73.51 30.58 Favored Pre-proline 0 C--N 1.323 -0.566 0 N-CA-C 114.878 1.436 . . . . 0.0 114.878 -178.374 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 6.6 Cg_endo -72.63 0.86 6.97 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 123.714 1.376 . . . . 0.0 113.343 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -116.09 21.21 13.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.296 0.997 . . . . 0.0 110.741 179.626 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . 0.26 1.8 m-85 -124.44 118.27 26.28 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.035 -0.984 . . . . 0.0 109.959 179.848 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -85.3 90.63 7.96 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.378 1.049 . . . . 0.0 108.328 178.164 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.615 HG22 ' HB ' ' A' ' 52' ' ' VAL . 2.6 t -85.68 150.79 3.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 114.62 -1.173 . . . . 0.0 110.161 -179.302 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 54.3 m-85 -127.05 154.11 45.09 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.265 0.978 . . . . 0.0 110.733 179.308 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.482 ' O ' HD23 ' A' ' 37' ' ' LEU . 41.9 m-85 -140.25 97.34 3.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.105 . . . . 0.0 111.143 -179.699 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.674 HD12 ' NH2' ' A' ' 53' ' ' ARG . 54.8 mt -133.29 161.0 66.42 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.418 1.074 . . . . 0.0 109.184 179.802 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.412 ' HD2' ' HB3' ' A' ' 37' ' ' LEU . 3.1 Cg_exo . . . . . 0 C--N 1.36 1.173 0 O-C-N 124.613 1.849 . . . . 0.0 110.82 -179.485 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 12.9 m-30 . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 111.948 0.351 . . . . 0.0 111.948 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -101.54 -12.76 18.25 Favored 'General case' 0 N--CA 1.447 -0.592 0 N-CA-C 115.047 1.499 . . . . 0.0 115.047 -177.809 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 3.1 ttm180 -106.86 120.32 41.71 Favored 'General case' 0 C--N 1.323 -0.583 0 O-C-N 123.843 0.715 . . . . 0.0 111.985 -178.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.615 ' HB ' HG22 ' A' ' 34' ' ' VAL . 0.5 OUTLIER -113.36 137.81 45.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.266 0.979 . . . . 0.0 108.755 179.086 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.674 ' NH2' HD12 ' A' ' 37' ' ' LEU . 0.3 OUTLIER -115.94 106.19 13.51 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.682 1.239 . . . . 0.0 109.719 179.748 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 1.02 HG13 ' HB3' ' A' ' 67' ' ' PRO . 9.5 t -97.76 151.17 4.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.495 1.122 . . . . 0.0 109.578 -179.757 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.486 ' O ' HG13 ' A' ' 63' ' ' VAL . 5.5 m-85 -123.36 137.69 54.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.632 1.207 . . . . 0.0 110.522 179.513 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 16.0 p90 -132.65 166.2 22.71 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.664 1.228 . . . . 0.0 110.496 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.413 ' ND2' ' HD2' ' A' ' 58' ' ' PRO . 10.5 t-20 -98.51 130.41 28.14 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 0.0 110.042 -179.403 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.413 ' HD2' ' ND2' ' A' ' 57' ' ' ASN . 19.1 Cg_endo -76.01 4.09 5.56 Favored 'Trans proline' 0 C--N 1.362 1.241 0 O-C-N 124.492 1.785 . . . . 0.0 112.689 179.531 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -77.67 -59.85 2.93 Favored Glycine 0 CA--C 1.532 1.118 0 N-CA-C 110.727 -0.949 . . . . 0.0 110.727 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.41 HG23 HG23 ' A' ' 62' ' ' VAL . 11.1 t -126.42 22.34 7.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.58 0.812 . . . . 0.0 110.672 179.809 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 8.0 m-20 50.99 37.88 18.9 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 115.116 -0.947 . . . . 0.0 111.924 178.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.666 HG22 HG22 ' A' ' 17' ' ' THR . 25.1 t -109.78 146.2 15.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.287 0.992 . . . . 0.0 109.529 179.425 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.486 HG13 ' O ' ' A' ' 55' ' ' PHE . 48.8 t -88.27 107.15 17.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 114.783 -1.099 . . . . 0.0 109.195 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 20.7 p30 -102.6 -19.65 14.75 Favored 'General case' 0 N--CA 1.452 -0.361 0 O-C-N 124.456 1.098 . . . . 0.0 110.823 -179.753 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 0.417 ' HB2' ' HB2' ' A' ' 55' ' ' PHE . 12.0 m80 -93.9 132.7 38.08 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.192 0.933 . . . . 0.0 109.597 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.584 HG22 HG21 ' A' ' 14' ' ' VAL . 40.5 t -66.63 115.11 21.12 Favored Pre-proline 0 C--N 1.323 -0.561 0 O-C-N 124.661 1.226 . . . . 0.0 109.071 179.751 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 1.02 ' HB3' HG13 ' A' ' 54' ' ' VAL . 18.7 Cg_endo -73.92 135.89 21.98 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.479 1.778 . . . . 0.0 111.051 -179.607 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 9.1 p80 -139.96 160.98 38.7 Favored 'General case' 0 C--N 1.327 -0.377 0 O-C-N 124.53 1.144 . . . . 0.0 110.05 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.534 HG13 HG22 ' A' ' 52' ' ' VAL . 1.2 t . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.797 1.31 . . . . 0.0 108.821 179.288 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 68.0 p . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 110.268 -0.271 . . . . 0.0 110.268 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.446 ' CD1' ' N ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -129.28 100.88 19.68 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 110.85 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 13.3 Cg_endo -71.23 -9.85 26.17 Favored 'Trans proline' 0 C--N 1.363 1.294 0 O-C-N 124.277 1.672 . . . . 0.0 112.588 -179.194 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -71.64 -5.33 32.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.133 0.896 . . . . 0.0 112.415 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -118.95 35.66 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.051 0.844 . . . . 0.0 109.61 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.517 HG21 HG22 ' A' ' 66' ' ' VAL . 37.7 t -102.43 126.49 56.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.46 1.1 . . . . 0.0 109.327 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 105.2 -20.77 37.12 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.454 1.096 . . . . 0.0 110.957 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 23.0 mttm -78.97 161.09 26.89 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 -179.409 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.66 HG22 HG22 ' A' ' 62' ' ' VAL . 49.9 p -90.04 168.62 11.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.054 0.846 . . . . 0.0 110.21 179.829 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.751 HG13 ' CE2' ' A' ' 36' ' ' PHE . 42.3 t -48.09 -60.79 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.562 1.164 . . . . 0.0 111.781 -179.823 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -50.27 -36.92 33.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.213 0.946 . . . . 0.0 111.223 -179.11 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 17.2 mm-40 -65.02 -50.49 66.05 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.518 1.136 . . . . 0.0 110.155 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.77 -3.03 16.69 Favored 'General case' 0 C--N 1.328 -0.335 0 O-C-N 124.668 1.23 . . . . 0.0 112.944 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 18.1 tpp85 -82.88 -45.87 13.69 Favored 'General case' 0 C--N 1.321 -0.634 0 O-C-N 124.624 1.202 . . . . 0.0 109.612 179.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.8 mp0 -73.22 -31.99 64.5 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 114.794 -1.094 . . . . 0.0 111.228 -179.798 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 13.9 t80 -64.25 -49.69 70.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.443 1.089 . . . . 0.0 110.873 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 -73.83 -16.82 61.13 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.464 1.102 . . . . 0.0 111.652 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.3 m -76.59 -37.26 56.79 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.151 0.907 . . . . 0.0 111.292 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 10.9 mt -83.49 -44.62 14.51 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 113.663 0.986 . . . . 0.0 113.663 -178.469 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 24.5 m170 -81.34 -44.37 17.71 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.243 0.964 . . . . 0.0 112.226 -178.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 39.3 m-85 -124.36 64.75 38.85 Favored Pre-proline 0 C--O 1.241 0.648 0 N-CA-C 114.674 1.361 . . . . 0.0 114.674 -178.44 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 10.9 Cg_endo -71.18 -1.15 9.14 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 123.524 1.276 . . . . 0.0 113.171 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -107.23 18.05 22.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.275 0.985 . . . . 0.0 111.299 179.856 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . 0.256 1.1 m-30 -123.99 133.63 53.64 Favored 'General case' 0 C--N 1.323 -0.57 0 O-C-N 124.231 0.957 . . . . 0.0 109.574 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -91.07 107.53 19.27 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.4 1.063 . . . . 0.0 108.765 179.281 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.573 HG22 ' HB ' ' A' ' 52' ' ' VAL . 3.7 t -85.95 150.3 3.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.394 1.059 . . . . 0.0 110.687 -179.322 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 33.4 m-85 -146.23 132.44 19.43 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 114.761 -1.109 . . . . 0.0 110.516 179.519 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.751 ' CE2' HG13 ' A' ' 18' ' ' VAL . 50.2 m-85 -106.66 141.01 38.62 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.461 1.101 . . . . 0.0 111.564 -179.694 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 96.9 mt -143.56 159.96 52.7 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.489 1.118 . . . . 0.0 109.038 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_endo . . . . . 0 C--N 1.359 1.12 0 O-C-N 124.402 1.738 . . . . 0.0 111.589 -179.482 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 74.0 m-85 . . . . . 0 CA--C 1.532 0.278 0 N-CA-C 112.024 0.379 . . . . 0.0 112.024 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.7 p-10 -90.95 -9.37 46.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 111.867 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 4.4 ttp180 -94.38 121.03 35.49 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 123.885 0.74 . . . . 0.0 109.991 -179.306 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.573 ' HB ' HG22 ' A' ' 34' ' ' VAL . 2.7 t -94.98 142.96 12.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.417 1.073 . . . . 0.0 109.393 179.73 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 27.4 mtt180 -120.1 129.82 54.36 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.491 1.12 . . . . 0.0 109.523 179.65 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.643 HG13 ' HB3' ' A' ' 67' ' ' PRO . 39.6 t -128.22 154.12 38.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.658 1.224 . . . . 0.0 110.111 -179.547 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.491 ' O ' HG13 ' A' ' 63' ' ' VAL . 15.4 m-85 -120.72 139.77 52.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 110.376 179.395 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 16.9 p90 -145.21 171.16 14.94 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.727 1.267 . . . . 0.0 110.645 -179.624 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -92.21 116.5 66.59 Favored Pre-proline 0 C--N 1.323 -0.554 0 CA-C-N 114.933 -1.03 . . . . 0.0 108.653 -179.772 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 11.5 Cg_endo -61.0 -6.36 6.11 Favored 'Trans proline' 0 C--N 1.362 1.254 0 O-C-N 124.074 1.565 . . . . 0.0 114.684 -178.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -93.65 -85.31 1.6 Allowed Glycine 0 CA--C 1.528 0.86 0 O-C-N 123.771 0.67 . . . . 0.0 114.288 -178.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 8.5 t -67.62 -21.09 65.41 Favored 'General case' 0 C--N 1.327 -0.376 0 O-C-N 124.049 0.499 . . . . 0.0 111.465 -179.423 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 8.9 m-20 74.62 69.2 0.09 Allowed 'General case' 0 N--CA 1.45 -0.456 0 O-C-N 124.416 1.072 . . . . 0.0 109.88 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.66 HG22 HG22 ' A' ' 17' ' ' THR . 73.5 t -145.06 146.61 19.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 O-C-N 124.335 1.022 . . . . 0.0 109.076 179.694 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.491 HG13 ' O ' ' A' ' 55' ' ' PHE . 58.6 t -87.58 128.5 40.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.505 1.128 . . . . 0.0 108.838 179.349 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -130.92 23.81 4.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.897 1.373 . . . . 0.0 110.156 -179.764 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 0.415 ' HB2' ' HB2' ' A' ' 55' ' ' PHE . 53.6 m-70 -145.78 124.63 12.67 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.45 1.094 . . . . 0.0 109.396 179.734 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.517 HG22 HG21 ' A' ' 14' ' ' VAL . 15.0 t -56.72 112.32 4.37 Favored Pre-proline 0 C--N 1.324 -0.534 0 O-C-N 124.712 1.257 . . . . 0.0 108.736 179.401 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.643 ' HB3' HG13 ' A' ' 54' ' ' VAL . 18.7 Cg_endo -70.46 154.47 64.96 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.562 1.822 . . . . 0.0 111.47 -179.186 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 3.3 p-80 -149.58 163.06 38.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.416 1.072 . . . . 0.0 109.749 -179.591 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.524 HG13 HG22 ' A' ' 52' ' ' VAL . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.365 179.786 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.235 0 N-CA-C 109.8 -0.445 . . . . 0.0 109.8 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -128.0 102.5 21.79 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.425 1.078 . . . . 0.0 111.084 -179.683 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_endo -78.35 7.38 4.15 Favored 'Trans proline' 0 C--N 1.361 1.235 0 O-C-N 124.199 1.631 . . . . 0.0 112.816 -179.617 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 43.0 tp10 -75.44 -23.23 56.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.036 0.835 . . . . 0.0 112.056 -179.109 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.697 HG23 ' HD2' ' A' ' 16' ' ' LYS . 7.6 p -84.58 -12.61 11.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.201 0.938 . . . . 0.0 111.439 -179.563 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.552 HG21 HG22 ' A' ' 66' ' ' VAL . 37.7 t -68.15 93.54 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 123.821 0.701 . . . . 0.0 109.403 179.728 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 140.61 -35.71 1.84 Allowed Glycine 0 CA--C 1.528 0.88 0 O-C-N 124.31 1.007 . . . . 0.0 112.34 179.744 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.697 ' HD2' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -74.4 -163.98 0.23 Allowed 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 -179.329 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.411 ' N ' ' HG3' ' A' ' 16' ' ' LYS . 0.1 OUTLIER -128.32 167.85 16.36 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.225 0.953 . . . . 0.0 109.635 -179.494 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.672 HG22 ' CD1' ' A' ' 36' ' ' PHE . 12.5 t -47.79 -52.21 6.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 123.73 0.644 . . . . 0.0 112.473 -179.542 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -48.75 -42.98 37.23 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.031 0.832 . . . . 0.0 111.545 -178.634 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.432 ' HB3' ' HD3' ' A' ' 16' ' ' LYS . 8.7 mm100 -66.45 -45.53 79.48 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.308 1.005 . . . . 0.0 109.75 179.78 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.14 -6.15 32.1 Favored 'General case' 0 N--CA 1.452 -0.34 0 O-C-N 124.835 1.334 . . . . 0.0 113.172 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.58 -47.29 12.28 Favored 'General case' 0 C--N 1.319 -0.753 0 O-C-N 124.93 1.394 . . . . 0.0 109.162 179.58 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -75.03 -24.7 58.36 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 114.675 -1.148 . . . . 0.0 110.248 179.751 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -73.7 -48.42 32.27 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.358 1.036 . . . . 0.0 111.552 -179.711 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -76.87 -23.89 52.61 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.341 1.025 . . . . 0.0 112.303 -179.19 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 3.3 m -77.72 -34.91 52.47 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.221 0.95 . . . . 0.0 112.091 -179.392 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 19.3 mt -82.77 -47.45 11.93 Favored 'General case' 0 N--CA 1.45 -0.427 0 N-CA-C 113.737 1.014 . . . . 0.0 113.737 -178.404 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.516 ' HB2' ' CD1' ' A' ' 29' ' ' TYR . 26.8 m80 -87.08 -33.76 19.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.054 0.846 . . . . 0.0 112.887 -178.026 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.516 ' CD1' ' HB2' ' A' ' 28' ' ' HIS . 36.0 m-85 -123.84 62.61 26.92 Favored Pre-proline 0 C--N 1.323 -0.566 0 N-CA-C 115.719 1.748 . . . . 0.0 115.719 -177.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -73.94 2.05 6.43 Favored 'Trans proline' 0 C--N 1.358 1.078 0 O-C-N 123.68 1.358 . . . . 0.0 113.075 179.192 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -111.39 13.23 21.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.23 0.956 . . . . 0.0 111.681 179.692 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . 0.261 0.3 OUTLIER -126.81 122.58 35.15 Favored 'General case' 0 C--N 1.322 -0.612 0 O-C-N 124.129 0.893 . . . . 0.0 109.208 179.956 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -86.87 103.88 15.69 Favored 'General case' 0 C--N 1.323 -0.566 0 O-C-N 124.451 1.094 . . . . 0.0 108.765 178.768 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.629 HG22 ' HB ' ' A' ' 52' ' ' VAL . 2.7 t -85.39 151.53 3.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.361 1.038 . . . . 0.0 109.896 -179.572 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -132.4 113.1 12.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.367 1.042 . . . . 0.0 110.713 179.502 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.672 ' CD1' HG22 ' A' ' 18' ' ' VAL . 50.0 m-85 -91.72 120.12 32.18 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.234 0.959 . . . . 0.0 111.013 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.437 ' HB3' ' HD2' ' A' ' 38' ' ' PRO . 4.4 mt -144.48 161.78 42.47 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.19 0.931 . . . . 0.0 109.172 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.437 ' HD2' ' HB3' ' A' ' 37' ' ' LEU . 19.1 Cg_endo . . . . . 0 C--N 1.36 1.18 0 O-C-N 124.554 1.818 . . . . 0.0 110.548 179.345 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 59.9 m-85 . . . . . 0 N--CA 1.452 -0.351 0 CA-C-O 120.432 0.158 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -88.63 -10.59 48.11 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.592 1.182 . . . . 0.0 111.777 179.544 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 2.8 ttp180 -108.9 115.4 30.0 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 123.994 0.809 . . . . 0.0 110.312 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.629 ' HB ' HG22 ' A' ' 34' ' ' VAL . 0.3 OUTLIER -95.86 144.84 9.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 O-C-N 124.482 1.114 . . . . 0.0 109.133 179.672 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 41.1 mtt180 -116.91 97.05 5.75 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.679 1.237 . . . . 0.0 109.878 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 82.7 t -91.46 145.07 7.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.647 1.217 . . . . 0.0 109.36 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.407 ' HB2' ' HB2' ' A' ' 65' ' ' HIS . 4.8 m-85 -118.62 140.25 50.2 Favored 'General case' 0 CA--C 1.535 0.382 0 O-C-N 124.583 1.177 . . . . 0.0 110.569 179.584 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 3.4 p90 -145.83 175.9 10.07 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.436 1.085 . . . . 0.0 110.542 -179.682 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.654 ' CB ' HG22 ' A' ' 60' ' ' THR . 2.5 t-20 -82.08 137.55 46.27 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.323 1.014 . . . . 0.0 109.634 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_endo -52.13 -56.41 2.94 Favored 'Trans proline' 0 C--N 1.361 1.235 0 O-C-N 124.359 1.715 . . . . 0.0 114.284 -178.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -98.02 -44.43 2.62 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 117.302 1.681 . . . . 0.0 117.302 -177.421 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.654 HG22 ' CB ' ' A' ' 57' ' ' ASN . 0.7 OUTLIER -69.28 -31.8 70.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.046 0.498 . . . . 0.0 111.15 -178.428 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 65.9 66.04 0.51 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.24 0.963 . . . . 0.0 110.573 179.276 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.587 HG23 HG23 ' A' ' 60' ' ' THR . 97.8 t -142.27 131.93 23.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 O-C-N 124.403 1.065 . . . . 0.0 109.433 179.526 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.571 HG11 HG22 ' A' ' 13' ' ' VAL . 17.2 t -69.87 119.65 16.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 114.836 -1.074 . . . . 0.0 109.066 179.585 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.414 HD21 ' CE1' ' A' ' 65' ' ' HIS . 1.5 p30 -134.64 28.92 3.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.724 1.265 . . . . 0.0 109.426 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 0.414 ' CE1' HD21 ' A' ' 64' ' ' ASN . 36.9 m80 -148.35 123.97 10.45 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 114.899 -1.046 . . . . 0.0 109.163 179.576 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.552 HG22 HG21 ' A' ' 14' ' ' VAL . 5.3 t -65.57 113.35 11.39 Favored Pre-proline 0 C--N 1.323 -0.583 0 O-C-N 124.836 1.335 . . . . 0.0 109.259 179.829 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -83.97 156.75 13.39 Favored 'Trans proline' 0 C--N 1.358 1.057 0 O-C-N 124.384 1.728 . . . . 0.0 110.906 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 6.4 p-80 -148.25 162.48 39.4 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.301 1.0 . . . . 0.0 109.732 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.4 t . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.422 -179.975 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 110.013 -0.366 . . . . 0.0 110.013 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -129.73 92.22 38.1 Favored Pre-proline 0 C--N 1.326 -0.431 0 O-C-N 124.438 1.086 . . . . 0.0 111.44 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -80.1 2.23 8.61 Favored 'Trans proline' 0 C--N 1.367 1.53 0 O-C-N 123.75 1.395 . . . . 0.0 112.618 179.699 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -74.7 -26.82 60.09 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.059 0.849 . . . . 0.0 111.032 -179.588 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.6 p -92.03 41.86 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.919 -179.637 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.7 t -102.47 131.36 50.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.397 1.061 . . . . 0.0 109.096 179.774 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 105.89 -23.89 28.19 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.51 1.131 . . . . 0.0 111.469 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 66.1 mttt -76.19 161.06 29.11 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 108.691 -0.855 . . . . 0.0 108.691 -179.668 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.695 HG22 HG22 ' A' ' 62' ' ' VAL . 71.5 p -88.23 167.34 13.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.073 0.858 . . . . 0.0 110.554 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.484 HG13 ' CD1' ' A' ' 36' ' ' PHE . 17.0 t -48.42 -58.81 0.98 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.477 0 O-C-N 124.429 1.08 . . . . 0.0 111.772 -179.857 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -53.02 -36.49 60.57 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.229 -0.896 . . . . 0.0 111.229 -179.054 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 24.9 mm-40 -64.71 -50.66 66.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.376 1.047 . . . . 0.0 110.349 -179.716 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.29 -3.45 17.25 Favored 'General case' 0 N--CA 1.452 -0.333 0 O-C-N 124.634 1.209 . . . . 0.0 112.958 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.414 ' NH1' ' HB ' ' A' ' 34' ' ' VAL . 0.4 OUTLIER -82.9 -45.56 14.05 Favored 'General case' 0 C--N 1.321 -0.645 0 O-C-N 124.608 1.193 . . . . 0.0 109.682 179.832 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -71.92 -28.38 63.44 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 114.744 -1.116 . . . . 0.0 110.973 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 10.3 t80 -69.69 -49.01 57.53 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.522 1.139 . . . . 0.0 111.033 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 15.5 m-85 -73.93 -19.39 60.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.435 1.084 . . . . 0.0 111.401 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.3 m -75.67 -36.03 60.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.291 0.994 . . . . 0.0 111.342 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 10.8 mt -84.29 -45.76 12.49 Favored 'General case' 0 N--CA 1.448 -0.53 0 N-CA-C 113.504 0.927 . . . . 0.0 113.504 -178.423 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 -87.27 -41.56 13.59 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 113.614 0.968 . . . . 0.0 113.614 -177.778 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.4 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 8.8 m-30 -118.18 51.79 1.38 Allowed Pre-proline 0 C--N 1.324 -0.525 0 N-CA-C 115.12 1.526 . . . . 0.0 115.12 -178.279 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.4 ' CD ' ' N ' ' A' ' 29' ' ' TYR . 19.5 Cg_endo -66.35 -12.7 36.74 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 123.939 1.494 . . . . 0.0 112.803 -179.332 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -90.96 14.97 12.38 Favored 'General case' 0 N--CA 1.452 -0.36 0 O-C-N 124.197 0.936 . . . . 0.0 112.445 -178.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.427 ' CZ ' HG11 ' A' ' 69' ' ' VAL 0.266 0.3 OUTLIER -128.75 138.77 52.29 Favored 'General case' 0 C--N 1.322 -0.61 0 O-C-N 124.199 0.937 . . . . 0.0 109.55 -179.49 . . . . . . . . 4 4 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -89.56 111.22 22.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.599 1.187 . . . . 0.0 108.256 178.624 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.42 HG22 ' HB ' ' A' ' 52' ' ' VAL . 3.7 t -85.58 152.05 3.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.633 1.208 . . . . 0.0 110.095 -179.027 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.538 ' CE2' ' CD ' ' A' ' 51' ' ' ARG . 30.0 m-85 -147.97 108.93 4.23 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.025 -0.989 . . . . 0.0 110.804 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.484 ' CD1' HG13 ' A' ' 18' ' ' VAL . 31.6 m-85 -93.01 132.53 37.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.404 1.065 . . . . 0.0 111.383 -179.744 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -145.02 168.57 11.76 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.272 0.983 . . . . 0.0 108.884 179.677 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo . . . . . 0 C--N 1.36 1.151 0 O-C-N 124.583 1.833 . . . . 0.0 110.946 179.614 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 16.4 m-30 . . . . . 0 CA--C 1.534 0.365 0 N-CA-C 110.506 -0.183 . . . . 0.0 110.506 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 -101.2 -3.52 28.92 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.65 1.219 . . . . 0.0 113.423 -178.174 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.538 ' CD ' ' CE2' ' A' ' 35' ' ' TYR . 1.8 ttp180 -115.79 132.14 56.73 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.238 0.961 . . . . 0.0 111.132 -178.733 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 1.098 HG22 ' CG2' ' A' ' 69' ' ' VAL . 48.3 t -105.0 117.32 50.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.624 1.203 . . . . 0.0 108.493 179.231 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.405 ' HG2' ' NH1' ' A' ' 53' ' ' ARG . 0.0 OUTLIER -100.41 129.14 46.34 Favored 'General case' 0 N--CA 1.449 -0.494 0 O-C-N 124.412 1.07 . . . . 0.0 109.953 179.715 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.701 HG13 ' HB3' ' A' ' 67' ' ' PRO . 2.9 t -123.52 149.89 27.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.438 1.086 . . . . 0.0 109.12 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 11.3 m-85 -119.64 135.35 54.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.539 1.15 . . . . 0.0 110.566 179.478 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 16.2 p90 -136.26 164.42 28.12 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.501 1.126 . . . . 0.0 111.389 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -90.56 119.33 69.09 Favored Pre-proline 0 C--N 1.324 -0.517 0 CA-C-N 114.446 -1.252 . . . . 0.0 108.244 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -80.06 19.15 1.07 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.066 1.561 . . . . 0.0 114.637 -178.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -101.59 -55.29 0.9 Allowed Glycine 0 CA--C 1.53 1.012 0 N-CA-C 110.746 -0.942 . . . . 0.0 110.746 179.685 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.428 HG23 HG23 ' A' ' 62' ' ' VAL . 15.2 t -114.59 5.88 15.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 0.751 . . . . 0.0 112.362 179.838 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 73.7 m-80 60.27 62.62 1.55 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 123.881 0.738 . . . . 0.0 110.088 179.7 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.695 HG22 HG22 ' A' ' 17' ' ' THR . 66.9 t -142.52 138.39 28.88 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.4 0 O-C-N 124.447 1.092 . . . . 0.0 110.094 179.629 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 60.1 t -78.89 137.74 21.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.363 1.04 . . . . 0.0 109.945 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -145.98 29.57 1.09 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.522 1.139 . . . . 0.0 109.45 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 63.6 m-70 -147.68 130.5 16.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.738 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 41.5 t -66.27 114.93 19.08 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.382 1.051 . . . . 0.0 109.571 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.701 ' HB3' HG13 ' A' ' 54' ' ' VAL . 36.2 Cg_endo -79.06 153.92 25.26 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.466 1.772 . . . . 0.0 111.214 179.572 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 11.2 p80 -143.97 160.74 40.3 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.421 1.076 . . . . 0.0 109.726 179.558 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 1.098 ' CG2' HG22 ' A' ' 52' ' ' VAL . 92.8 t . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.575 1.172 . . . . 0.0 108.862 179.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.1 m . . . . . 0 N--CA 1.454 -0.253 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -125.03 91.84 48.62 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.606 1.191 . . . . 0.0 110.695 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -75.38 -4.72 15.71 Favored 'Trans proline' 0 C--N 1.367 1.525 0 O-C-N 123.815 1.429 . . . . 0.0 112.893 -179.409 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -76.93 -19.16 57.71 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.159 0.912 . . . . 0.0 111.562 -179.625 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 2.9 t -93.73 39.27 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 O-C-N 124.253 0.97 . . . . 0.0 109.527 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 55.6 t -104.99 137.26 35.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.11 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 110.08 -26.57 13.47 Favored Glycine 0 CA--C 1.532 1.097 0 O-C-N 124.546 1.154 . . . . 0.0 110.586 -179.718 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.424 ' HB3' ' HB3' ' A' ' 20' ' ' GLN . 19.1 mttt -76.78 162.55 27.57 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.596 0.821 . . . . 0.0 108.815 -179.728 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.678 HG22 HG22 ' A' ' 62' ' ' VAL . 70.5 p -98.33 168.83 9.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.158 0.911 . . . . 0.0 110.201 179.754 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.631 HG13 ' CG ' ' A' ' 36' ' ' PHE . 73.0 t -49.57 -53.47 9.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.115 . . . . 0.0 111.316 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.11 -36.85 75.89 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.313 1.008 . . . . 0.0 110.563 -179.417 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.482 ' HA ' ' NE2' ' A' ' 20' ' ' GLN . 0.0 OUTLIER -63.67 -54.14 40.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.555 1.16 . . . . 0.0 109.575 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -74.02 0.49 13.48 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.44 1.087 . . . . 0.0 112.81 179.683 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.507 HH21 ' HD2' ' A' ' 36' ' ' PHE . 18.4 tpp85 -81.46 -46.25 14.83 Favored 'General case' 0 C--N 1.322 -0.593 0 O-C-N 124.348 1.03 . . . . 0.0 109.289 179.594 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -72.44 -30.62 64.75 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 114.582 -1.19 . . . . 0.0 109.858 179.508 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 36.0 t80 -65.29 -56.02 15.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.588 1.18 . . . . 0.0 110.85 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.414 ' CG ' HG21 ' A' ' 34' ' ' VAL . 5.7 m-85 -66.87 -21.87 65.99 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.639 1.212 . . . . 0.0 110.972 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.4 m -76.53 -36.21 57.83 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.311 1.007 . . . . 0.0 111.65 -179.794 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.4 mt -82.37 -45.33 15.01 Favored 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 113.964 1.098 . . . . 0.0 113.964 -178.363 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 21.6 m170 -83.02 -42.15 17.84 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.059 0.849 . . . . 0.0 112.96 -178.544 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 45.8 m-85 -121.71 72.67 31.45 Favored Pre-proline 0 C--O 1.24 0.56 0 N-CA-C 115.031 1.493 . . . . 0.0 115.031 -178.531 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_endo -76.62 5.68 4.62 Favored 'Trans proline' 0 C--N 1.358 1.07 0 O-C-N 123.601 1.316 . . . . 0.0 113.445 179.708 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -121.4 21.21 11.1 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.361 1.038 . . . . 0.0 110.512 179.24 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . 0.254 1.1 m-30 -122.98 126.14 46.6 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 114.979 -1.01 . . . . 0.0 109.665 179.542 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -89.81 98.16 11.61 Favored 'General case' 0 C--N 1.322 -0.591 0 O-C-N 124.469 1.106 . . . . 0.0 108.683 178.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.521 HG22 ' HB ' ' A' ' 52' ' ' VAL . 2.5 t -85.87 151.29 3.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.551 1.157 . . . . 0.0 109.201 -179.713 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -137.34 122.74 19.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 110.973 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.631 ' CG ' HG13 ' A' ' 18' ' ' VAL . 42.3 m-85 -101.54 116.91 33.82 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.229 0.956 . . . . 0.0 110.689 179.81 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.502 HD23 ' O ' ' A' ' 36' ' ' PHE . 0.2 OUTLIER -142.22 -178.93 0.87 Allowed Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.255 0.972 . . . . 0.0 108.841 -179.901 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.497 ' CD ' ' CB ' ' A' ' 37' ' ' LEU . 9.9 Cg_endo . . . . . 0 C--N 1.359 1.11 0 O-C-N 124.311 1.69 . . . . 0.0 110.476 179.401 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 13.7 m-30 . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 112.595 0.591 . . . . 0.0 112.595 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 10.8 p-10 -89.35 -10.1 47.94 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.471 1.107 . . . . 0.0 111.866 179.611 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -98.94 119.94 38.55 Favored 'General case' 0 C--N 1.323 -0.575 0 O-C-N 123.934 0.771 . . . . 0.0 109.873 -179.372 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.66 HG13 HG22 ' A' ' 69' ' ' VAL . 1.9 t -109.44 148.77 12.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.258 0.974 . . . . 0.0 110.051 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 1.3 mtt85 -120.19 135.26 55.04 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 114.77 -1.105 . . . . 0.0 109.711 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.48 HG13 ' HB3' ' A' ' 67' ' ' PRO . 17.3 t -129.32 136.99 58.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.611 1.194 . . . . 0.0 109.255 -179.817 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.426 ' O ' HG13 ' A' ' 63' ' ' VAL . 44.4 m-85 -105.71 144.23 32.74 Favored 'General case' 0 C--N 1.328 -0.337 0 O-C-N 124.445 1.091 . . . . 0.0 111.22 179.733 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 15.7 p90 -148.73 169.26 20.83 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 114.939 -1.028 . . . . 0.0 110.469 -179.593 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.445 ' HA ' ' HD3' ' A' ' 58' ' ' PRO . 3.4 t-20 -78.75 133.75 61.91 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.316 1.01 . . . . 0.0 109.701 -179.665 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.445 ' HD3' ' HA ' ' A' ' 57' ' ' ASN . 54.2 Cg_endo -85.24 38.02 0.63 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.239 1.652 . . . . 0.0 113.198 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -146.66 -67.28 0.01 OUTLIER Glycine 0 CA--C 1.531 1.045 0 N-CA-C 110.752 -0.939 . . . . 0.0 110.752 179.767 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.528 HG23 HG23 ' A' ' 62' ' ' VAL . 7.4 t -83.43 -19.93 35.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 0.757 . . . . 0.0 110.96 179.752 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 8.7 m-20 69.38 68.41 0.26 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.342 1.026 . . . . 0.0 109.33 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.678 HG22 HG22 ' A' ' 17' ' ' THR . 49.9 t -143.69 139.88 25.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.201 179.724 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.426 HG13 ' O ' ' A' ' 55' ' ' PHE . 45.4 t -80.87 125.89 39.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 108.893 179.517 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.482 ' ND2' ' CD2' ' A' ' 65' ' ' HIS . 0.5 OUTLIER -134.44 24.73 3.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.678 1.236 . . . . 0.0 109.715 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 0.482 ' CD2' ' ND2' ' A' ' 64' ' ' ASN . 64.2 m-70 -143.28 144.97 32.33 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.315 1.009 . . . . 0.0 109.376 179.776 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 59.5 t -70.92 115.88 40.64 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.606 1.191 . . . . 0.0 109.089 179.765 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.48 ' HB3' HG13 ' A' ' 54' ' ' VAL . 27.7 Cg_endo -74.63 148.32 36.9 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.544 1.813 . . . . 0.0 110.665 -179.643 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -148.5 163.22 37.85 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.481 1.113 . . . . 0.0 109.753 -179.796 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.66 HG22 HG13 ' A' ' 52' ' ' VAL . 97.6 t . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 109.384 179.787 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.431 ' HB2' ' HB3' ' A' ' 68' ' ' HIS . 1.5 t . . . . . 0 N--CA 1.455 -0.188 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -127.71 99.43 26.42 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.143 . . . . 0.0 111.067 -179.653 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_endo -77.2 -0.96 11.12 Favored 'Trans proline' 0 C--N 1.363 1.311 0 O-C-N 124.067 1.562 . . . . 0.0 112.498 179.624 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -77.15 -30.59 55.08 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 123.857 0.723 . . . . 0.0 111.866 -179.17 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.674 HG23 ' HD2' ' A' ' 16' ' ' LYS . 12.1 p -91.85 55.77 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.199 0.937 . . . . 0.0 110.273 -179.371 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 26.9 t -122.7 115.68 46.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.321 1.013 . . . . 0.0 109.142 179.71 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 118.92 -20.14 10.01 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.464 1.103 . . . . 0.0 111.603 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.674 ' HD2' HG23 ' A' ' 13' ' ' VAL . 5.3 ptpt -79.66 162.03 25.49 Favored 'General case' 0 C--N 1.327 -0.376 0 O-C-N 124.626 0.839 . . . . 0.0 108.762 -179.136 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.705 HG22 HG22 ' A' ' 62' ' ' VAL . 25.4 p -88.27 166.46 14.3 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.127 0.892 . . . . 0.0 111.477 -179.397 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.695 HG13 ' CD1' ' A' ' 36' ' ' PHE . 15.5 t -49.26 -58.26 1.4 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 111.325 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -52.04 -37.51 53.83 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.174 -0.921 . . . . 0.0 110.592 -179.25 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 7.1 mm-40 -63.75 -52.32 60.9 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.127 . . . . 0.0 110.034 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.04 -0.27 13.41 Favored 'General case' 0 N--CA 1.451 -0.395 0 O-C-N 124.565 1.165 . . . . 0.0 113.156 -179.707 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 7.1 tpp85 -84.43 -46.43 11.69 Favored 'General case' 0 C--N 1.322 -0.625 0 O-C-N 124.559 1.162 . . . . 0.0 109.865 -179.68 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -75.29 -24.72 57.56 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 114.747 -1.115 . . . . 0.0 110.808 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 57.4 t80 -71.55 -48.68 46.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 112.151 -179.622 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -71.15 -22.88 62.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.449 1.093 . . . . 0.0 112.287 -179.437 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 24.4 m -76.37 -32.25 58.51 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.297 0.998 . . . . 0.0 111.915 -179.367 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 15.5 mt -88.15 -46.0 9.64 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 113.712 1.004 . . . . 0.0 113.712 -178.318 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 14.8 m170 -84.98 -38.94 18.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.088 0.867 . . . . 0.0 113.085 -178.417 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 47.1 m-85 -123.58 57.69 12.38 Favored Pre-proline 0 C--N 1.323 -0.562 0 N-CA-C 114.288 1.218 . . . . 0.0 114.288 -178.295 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_endo -68.57 -8.82 24.27 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 123.876 1.461 . . . . 0.0 113.5 -179.006 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -98.05 17.17 19.01 Favored 'General case' 0 C--N 1.327 -0.381 0 O-C-N 124.205 0.941 . . . . 0.0 111.748 -179.794 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . 0.267 3.2 m-85 -128.07 129.95 47.45 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.202 -0.908 . . . . 0.0 109.992 -179.451 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 83.6 m-20 -89.85 98.27 11.67 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.387 1.055 . . . . 0.0 108.491 178.763 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 6.0 t -85.3 148.84 4.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.132 . . . . 0.0 110.821 -179.481 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.524 ' CE2' ' HD3' ' A' ' 51' ' ' ARG . 3.8 m-30 -132.51 141.89 48.97 Favored 'General case' 0 CA--C 1.543 0.686 0 O-C-N 124.426 1.079 . . . . 0.0 109.825 179.119 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.695 ' CD1' HG13 ' A' ' 18' ' ' VAL . 32.4 m-85 -120.49 126.81 51.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.816 1.322 . . . . 0.0 110.892 -179.875 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.444 ' HB3' ' HD2' ' A' ' 38' ' ' PRO . 12.2 mt -145.22 160.95 44.05 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.218 0.949 . . . . 0.0 109.024 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.444 ' HD2' ' HB3' ' A' ' 37' ' ' LEU . 5.9 Cg_endo . . . . . 0 C--N 1.36 1.168 0 O-C-N 124.442 1.759 . . . . 0.0 110.574 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 18.0 m-30 . . . . . 0 CA--C 1.536 0.429 0 N-CA-C 112.749 0.648 . . . . 0.0 112.749 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -92.44 -7.75 46.68 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.704 1.252 . . . . 0.0 112.206 -179.468 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.524 ' HD3' ' CE2' ' A' ' 35' ' ' TYR . 8.0 ttm180 -98.61 125.45 43.87 Favored 'General case' 0 C--N 1.323 -0.56 0 O-C-N 124.089 0.868 . . . . 0.0 110.526 -179.064 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 1.253 ' CG2' HG22 ' A' ' 69' ' ' VAL . 53.9 t -111.9 123.48 67.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.421 1.076 . . . . 0.0 109.088 179.194 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 66.8 mtt85 -88.95 136.7 32.87 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.025 -0.989 . . . . 0.0 111.103 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.493 HG22 ' CB ' ' A' ' 67' ' ' PRO . 62.3 t -131.54 151.95 36.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.276 0.985 . . . . 0.0 109.248 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.452 ' O ' HG13 ' A' ' 63' ' ' VAL . 24.3 m-85 -131.56 142.08 49.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 111.131 -179.807 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.44 ' C ' ' CD1' ' A' ' 56' ' ' TYR . 5.4 p90 -140.05 165.43 27.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.604 1.19 . . . . 0.0 110.467 179.661 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.401 ' HA ' ' HD3' ' A' ' 58' ' ' PRO . 8.8 t-20 -102.16 133.65 20.51 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 0.0 109.801 -179.544 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 57' ' ' ASN . 23.9 Cg_endo -78.87 -17.97 11.9 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.42 1.748 . . . . 0.0 111.719 179.667 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -50.12 -54.08 20.57 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.349 1.031 . . . . 0.0 111.831 -179.679 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 14.9 t -132.62 13.77 4.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 0.76 . . . . 0.0 111.903 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 5.9 m120 58.09 61.18 2.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.039 0.837 . . . . 0.0 109.654 179.738 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.705 HG22 HG22 ' A' ' 17' ' ' THR . 38.8 t -140.72 142.47 30.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 O-C-N 124.529 1.143 . . . . 0.0 110.333 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.452 HG13 ' O ' ' A' ' 55' ' ' PHE . 47.8 t -81.46 137.24 21.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 114.957 -1.02 . . . . 0.0 109.557 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 37.4 p30 -147.97 34.33 0.83 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.538 1.149 . . . . 0.0 109.878 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 89.7 m-70 -147.89 124.61 11.16 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.481 1.113 . . . . 0.0 109.59 179.735 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 14.9 t -58.05 111.28 3.32 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.45 1.094 . . . . 0.0 109.968 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.493 ' CB ' HG22 ' A' ' 54' ' ' VAL . 42.1 Cg_endo -82.95 104.84 1.3 Allowed 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.475 1.776 . . . . 0.0 110.797 179.531 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.431 ' HB3' ' HB2' ' A' ' 9' ' ' SER . 0.1 OUTLIER -107.41 163.25 13.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.328 1.017 . . . . 0.0 109.756 -179.901 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 1.253 HG22 ' CG2' ' A' ' 52' ' ' VAL . 69.2 t . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 108.89 179.568 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.1 m . . . . . 0 N--CA 1.454 -0.24 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.4 ' CD1' ' N ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -127.27 98.7 29.11 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 111.047 -179.754 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 24.8 Cg_endo -75.33 -4.37 15.22 Favored 'Trans proline' 0 C--N 1.363 1.336 0 O-C-N 124.055 1.555 . . . . 0.0 112.676 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -72.97 -17.91 61.42 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.061 0.85 . . . . 0.0 111.302 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.562 HG13 ' HD3' ' A' ' 16' ' ' LYS . 5.5 t -93.83 32.4 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.218 0.949 . . . . 0.0 110.01 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 9.0 t -94.78 108.85 21.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.385 1.053 . . . . 0.0 109.103 179.78 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 118.52 -19.54 10.57 Favored Glycine 0 CA--C 1.531 1.085 0 O-C-N 124.573 1.171 . . . . 0.0 111.287 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.562 ' HD3' HG13 ' A' ' 13' ' ' VAL . 13.4 mtpt -73.78 162.61 28.95 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.571 0.807 . . . . 0.0 108.824 -179.815 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -104.55 165.5 11.02 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.183 0.927 . . . . 0.0 109.856 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.768 HG13 ' CE2' ' A' ' 36' ' ' PHE . 21.1 t -48.62 -49.94 13.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.028 0.83 . . . . 0.0 111.944 -179.684 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -54.06 -42.04 68.81 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.234 0.959 . . . . 0.0 111.309 -178.761 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 5.9 mm100 -62.4 -54.17 44.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.385 1.053 . . . . 0.0 110.402 -179.666 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.76 -0.34 13.02 Favored 'General case' 0 C--N 1.328 -0.368 0 O-C-N 124.605 1.191 . . . . 0.0 113.186 -179.412 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.428 ' HA ' ' HD3' ' A' ' 22' ' ' ARG . 14.2 tpp85 -83.32 -45.99 13.12 Favored 'General case' 0 C--N 1.322 -0.62 0 O-C-N 124.465 1.103 . . . . 0.0 109.669 -179.822 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -77.34 -22.98 51.0 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 114.726 -1.125 . . . . 0.0 110.829 -179.617 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 40.8 t80 -71.53 -50.04 35.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.389 1.056 . . . . 0.0 111.957 -179.478 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.582 ' CD2' HG21 ' A' ' 34' ' ' VAL . 22.0 m-30 -72.38 -25.61 61.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.372 1.045 . . . . 0.0 111.793 -179.633 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 17.1 m -74.17 -32.37 63.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.321 1.013 . . . . 0.0 111.153 -179.752 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 19.1 mt -92.06 -46.1 7.96 Favored 'General case' 0 N--CA 1.45 -0.446 0 N-CA-C 113.971 1.1 . . . . 0.0 113.971 -178.227 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 18.5 m170 -85.53 -36.52 20.43 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 113.49 0.922 . . . . 0.0 113.49 -178.129 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -123.83 62.66 26.96 Favored Pre-proline 0 C--O 1.241 0.631 0 N-CA-C 115.074 1.509 . . . . 0.0 115.074 -178.153 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 13.0 Cg_endo -70.8 -2.07 10.33 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 123.618 1.325 . . . . 0.0 113.297 -179.543 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -107.09 18.24 21.98 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.338 1.024 . . . . 0.0 111.358 179.84 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . 0.275 3.1 m-85 -129.53 122.26 28.85 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.108 -0.951 . . . . 0.0 110.079 -179.157 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -87.57 97.96 11.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.318 1.011 . . . . 0.0 108.572 178.366 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.582 HG21 ' CD2' ' A' ' 25' ' ' PHE . 3.4 t -84.86 151.55 3.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.905 -179.573 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.479 ' CG ' ' NH1' ' A' ' 53' ' ' ARG . 45.6 m-85 -139.78 131.78 27.83 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.362 1.039 . . . . 0.0 110.801 179.663 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.768 ' CE2' HG13 ' A' ' 18' ' ' VAL . 50.2 m-85 -103.39 134.08 47.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.316 1.01 . . . . 0.0 111.009 -179.807 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.457 HD23 ' O ' ' A' ' 36' ' ' PHE . 0.2 OUTLIER -146.25 162.03 36.56 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.333 1.021 . . . . 0.0 109.12 -179.934 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.359 1.104 0 O-C-N 124.517 1.798 . . . . 0.0 110.638 179.355 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 15.7 m-30 . . . . . 0 CA--C 1.537 0.471 0 N-CA-C 111.707 0.262 . . . . 0.0 111.707 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -93.5 -11.75 31.26 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.842 1.339 . . . . 0.0 112.621 -178.673 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.454 ' HG2' HH11 ' A' ' 53' ' ' ARG . 2.4 ttp180 -91.44 109.67 20.96 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.008 0.818 . . . . 0.0 111.328 -179.387 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 1.115 ' CG2' HG22 ' A' ' 69' ' ' VAL . 84.1 t -107.53 121.56 60.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 O-C-N 124.301 1.001 . . . . 0.0 109.511 179.642 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.479 ' NH1' ' CG ' ' A' ' 35' ' ' TYR . 9.6 mmm180 -88.47 142.87 27.36 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.035 -0.984 . . . . 0.0 111.409 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 61.7 t -130.96 154.54 40.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.326 1.016 . . . . 0.0 108.945 179.802 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.437 ' HB2' ' HB2' ' A' ' 65' ' ' HIS . 14.5 m-85 -127.46 137.26 52.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.591 1.182 . . . . 0.0 111.594 -179.775 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 12.1 p90 -146.5 168.45 21.17 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.367 1.042 . . . . 0.0 110.694 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -98.72 131.25 26.1 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.496 1.122 . . . . 0.0 109.881 -179.686 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 27.7 Cg_endo -79.0 7.42 4.36 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.42 1.747 . . . . 0.0 112.553 179.688 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -88.88 -74.63 1.29 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.184 0.927 . . . . 0.0 110.786 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.439 HG23 HG23 ' A' ' 62' ' ' VAL . 15.4 t -97.03 2.8 51.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 0.743 . . . . 0.0 112.402 179.761 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 10.7 m-80 60.69 61.32 1.72 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 123.934 0.771 . . . . 0.0 110.029 179.636 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.439 HG23 HG23 ' A' ' 60' ' ' THR . 69.3 t -142.04 151.26 18.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 O-C-N 124.417 1.073 . . . . 0.0 109.309 179.693 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 99.0 t -83.51 138.18 19.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.364 1.04 . . . . 0.0 109.83 -179.777 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 37.4 p30 -141.74 25.11 2.0 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.538 1.149 . . . . 0.0 109.541 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 0.437 ' HB2' ' HB2' ' A' ' 55' ' ' PHE . 71.7 m-70 -148.53 128.74 13.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.436 1.085 . . . . 0.0 109.541 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 38.5 t -60.66 114.52 10.47 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.142 . . . . 0.0 109.388 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -74.85 147.75 35.06 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.51 1.795 . . . . 0.0 110.956 179.512 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -147.96 162.5 39.2 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.433 1.083 . . . . 0.0 110.065 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 1.115 HG22 ' CG2' ' A' ' 52' ' ' VAL . 55.3 t . . . . . 0 C--N 1.325 -0.457 0 CA-C-N 114.907 -1.042 . . . . 0.0 109.302 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 54.4 p . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -124.22 99.55 37.06 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.534 1.146 . . . . 0.0 110.763 179.754 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -73.46 -7.05 19.79 Favored 'Trans proline' 0 C--N 1.364 1.351 0 O-C-N 124.199 1.631 . . . . 0.0 112.776 -179.578 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 65.9 tt0 -72.76 -19.95 61.27 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.177 0.923 . . . . 0.0 111.113 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 3.4 t -94.15 36.9 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.298 0.999 . . . . 0.0 109.675 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 7.0 t -102.6 111.69 33.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.189 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 116.25 -15.3 15.56 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.456 1.097 . . . . 0.0 112.007 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 11.6 mptt -71.76 161.04 31.58 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 179.776 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.731 HG22 HG22 ' A' ' 62' ' ' VAL . 82.6 p -97.45 165.19 12.12 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.536 1.147 . . . . 0.0 109.553 178.265 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.441 HG23 ' H ' ' A' ' 18' ' ' VAL . 13.4 t -50.48 -47.35 27.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.258 0.974 . . . . 0.0 110.414 179.786 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -64.87 -37.24 86.97 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 114.947 -1.024 . . . . 0.0 111.339 -179.542 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.2 -53.85 49.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.66 -179.809 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -74.38 -1.43 20.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.531 1.144 . . . . 0.0 113.242 -179.467 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -80.47 -45.72 17.08 Favored 'General case' 0 C--N 1.322 -0.614 0 O-C-N 124.464 1.102 . . . . 0.0 109.746 179.706 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -75.37 -30.14 60.1 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 114.627 -1.169 . . . . 0.0 111.127 -179.463 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 62.0 t80 -68.67 -48.61 63.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.364 1.04 . . . . 0.0 111.783 -179.649 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -71.86 -27.46 62.89 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.59 1.181 . . . . 0.0 112.674 -179.286 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 23.6 m -78.58 -32.79 47.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.237 0.96 . . . . 0.0 112.599 -179.276 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 12.6 mt -84.58 -47.69 10.29 Favored 'General case' 0 N--CA 1.45 -0.444 0 N-CA-C 113.817 1.043 . . . . 0.0 113.817 -178.237 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 32.7 m-70 -87.85 -33.75 18.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.069 0.856 . . . . 0.0 113.139 -177.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 50.6 m-85 -124.69 56.61 12.99 Favored Pre-proline 0 C--N 1.324 -0.528 0 N-CA-C 114.052 1.13 . . . . 0.0 114.052 -178.386 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -69.11 -6.41 18.21 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.025 1.54 . . . . 0.0 112.914 -179.375 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -98.43 15.38 24.98 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.154 0.909 . . . . 0.0 111.912 -179.834 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . 0.257 1.1 m-30 -123.48 131.97 53.79 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.277 -0.874 . . . . 0.0 109.51 179.399 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -89.66 97.57 11.27 Favored 'General case' 0 C--N 1.323 -0.571 0 O-C-N 124.568 1.168 . . . . 0.0 108.61 178.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.606 HG22 ' HB ' ' A' ' 52' ' ' VAL . 2.6 t -87.81 151.0 3.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 -179.324 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 17.2 m-85 -137.33 107.86 6.54 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.272 0.982 . . . . 0.0 110.877 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.484 ' O ' HD23 ' A' ' 37' ' ' LEU . 38.4 m-85 -91.37 110.01 21.31 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.293 0.995 . . . . 0.0 110.84 179.7 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.494 ' CB ' ' CD ' ' A' ' 38' ' ' PRO . 0.2 OUTLIER -144.81 179.42 1.17 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.248 0.968 . . . . 0.0 108.974 -179.935 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.494 ' CD ' ' CB ' ' A' ' 37' ' ' LEU . 1.8 Cg_endo . . . . . 0 C--N 1.358 1.077 0 O-C-N 124.522 1.801 . . . . 0.0 110.49 179.524 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 33.9 m-85 . . . . . 0 CA--C 1.536 0.408 0 CA-C-O 120.453 0.168 . . . . 0.0 111.07 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -88.73 -12.46 42.18 Favored 'General case' 0 C--N 1.323 -0.56 0 O-C-N 124.603 1.189 . . . . 0.0 111.833 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 7.1 ttp180 -104.24 117.15 33.54 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 123.981 0.801 . . . . 0.0 109.417 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.606 ' HB ' HG22 ' A' ' 34' ' ' VAL . 0.3 OUTLIER -97.81 140.89 16.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 O-C-N 124.458 1.099 . . . . 0.0 110.04 -179.579 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.429 ' CZ ' ' HB2' ' A' ' 53' ' ' ARG . 0.0 OUTLIER -118.21 92.29 3.79 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 124.524 1.14 . . . . 0.0 109.338 179.441 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.448 HG11 ' CE1' ' A' ' 36' ' ' PHE . 86.5 t -86.9 148.73 4.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.731 1.27 . . . . 0.0 109.974 -179.61 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.503 ' O ' HG13 ' A' ' 63' ' ' VAL . 22.0 m-30 -118.72 144.54 46.17 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.521 1.138 . . . . 0.0 110.89 179.801 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.411 ' CD1' ' C ' ' A' ' 56' ' ' TYR . 8.8 p90 -145.31 163.21 35.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.66 1.225 . . . . 0.0 110.304 179.554 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -101.6 108.3 55.08 Favored Pre-proline 0 C--N 1.324 -0.542 0 O-C-N 124.624 1.202 . . . . 0.0 108.558 -179.527 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -60.05 -11.97 17.46 Favored 'Trans proline' 0 C--N 1.362 1.264 0 O-C-N 124.387 1.73 . . . . 0.0 113.058 -178.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -58.34 -67.36 2.24 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.314 1.009 . . . . 0.0 110.898 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.482 ' O ' HG23 ' A' ' 62' ' ' VAL . 13.3 t -112.22 19.56 17.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.553 0.796 . . . . 0.0 111.035 179.684 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 62.9 m-20 50.82 44.26 28.07 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.522 -0.763 . . . . 0.0 111.458 179.048 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.731 HG22 HG22 ' A' ' 17' ' ' THR . 64.2 t -125.37 146.64 30.74 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.37 0 O-C-N 124.302 1.001 . . . . 0.0 109.835 179.434 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.503 HG13 ' O ' ' A' ' 55' ' ' PHE . 95.3 t -86.11 128.51 39.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.596 1.185 . . . . 0.0 109.841 179.836 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -134.33 28.43 3.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.854 1.346 . . . . 0.0 109.256 179.548 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 0.413 ' HB2' ' HB2' ' A' ' 55' ' ' PHE . 54.4 m80 -139.0 124.2 19.09 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 114.777 -1.101 . . . . 0.0 109.25 179.494 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 24.9 t -63.14 113.83 10.67 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.804 1.315 . . . . 0.0 108.845 179.606 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 27.3 Cg_endo -75.8 146.47 29.92 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.561 1.822 . . . . 0.0 110.781 -179.445 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -142.71 163.25 33.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 110.109 -179.673 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 1.7 t . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.405 1.066 . . . . 0.0 109.335 179.992 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 9.3 m . . . . . 0 N--CA 1.452 -0.346 0 N-CA-C 109.991 -0.374 . . . . 0.0 109.991 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -125.97 101.19 29.49 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 110.815 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 26.4 Cg_endo -74.44 -5.3 16.72 Favored 'Trans proline' 0 C--N 1.362 1.283 0 O-C-N 124.237 1.651 . . . . 0.0 112.877 -179.662 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -78.33 6.07 9.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.017 0.823 . . . . 0.0 112.368 -179.387 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.467 ' HB ' ' CG ' ' A' ' 67' ' ' PRO . 26.6 t -93.14 -21.67 6.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 123.902 0.751 . . . . 0.0 110.279 -179.843 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 14.0 t -68.67 113.42 4.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.374 1.046 . . . . 0.0 109.467 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 124.71 -35.21 3.23 Favored Glycine 0 CA--C 1.529 0.915 0 O-C-N 124.402 1.064 . . . . 0.0 111.055 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 15.6 mtmt -74.9 -173.5 1.92 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.398 0.705 . . . . 0.0 109.13 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.556 HG22 HG22 ' A' ' 62' ' ' VAL . 68.7 p -115.65 165.11 13.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.433 1.083 . . . . 0.0 109.932 179.694 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.438 HG23 ' H ' ' A' ' 18' ' ' VAL . 7.6 t -50.3 -50.15 21.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 O-C-N 124.263 0.977 . . . . 0.0 111.161 179.63 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -55.07 -37.75 67.16 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.197 -0.91 . . . . 0.0 113.17 -178.262 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 4.5 mm-40 -62.01 -54.64 38.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.324 1.015 . . . . 0.0 109.736 -179.778 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.69 -3.58 15.87 Favored 'General case' 0 C--N 1.327 -0.399 0 O-C-N 124.802 1.314 . . . . 0.0 113.485 -179.125 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.448 HH21 ' HD2' ' A' ' 36' ' ' PHE . 5.5 tpp85 -80.9 -45.69 16.39 Favored 'General case' 0 C--N 1.32 -0.7 0 O-C-N 124.793 1.308 . . . . 0.0 109.272 179.474 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -75.97 -34.23 59.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 114.516 -1.22 . . . . 0.0 110.135 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 59.4 t80 -55.65 -53.77 52.46 Favored 'General case' 0 C--N 1.327 -0.397 0 O-C-N 124.415 1.072 . . . . 0.0 111.153 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.527 ' CD2' HG21 ' A' ' 34' ' ' VAL . 5.3 m-85 -66.75 -28.22 68.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.621 1.201 . . . . 0.0 111.446 -179.817 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 20.9 m -71.05 -30.83 67.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.21 0.944 . . . . 0.0 110.553 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 15.9 mt -87.57 -45.91 10.02 Favored 'General case' 0 N--CA 1.449 -0.493 0 N-CA-C 114.058 1.133 . . . . 0.0 114.058 -178.292 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -86.02 -49.46 7.8 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 113.402 0.89 . . . . 0.0 113.402 -178.012 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 10.0 m-85 -119.61 75.22 18.36 Favored Pre-proline 0 C--N 1.324 -0.517 0 N-CA-C 115.031 1.493 . . . . 0.0 115.031 -178.429 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -79.36 8.55 3.83 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 123.91 1.479 . . . . 0.0 112.994 179.536 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 6.0 pm0 -118.92 23.16 11.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.198 0.936 . . . . 0.0 110.176 179.691 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 1.2 m-30 -121.56 131.23 54.01 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 114.858 -1.065 . . . . 0.0 109.879 179.723 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 36.4 t0 -88.05 98.08 11.33 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.461 1.101 . . . . 0.0 108.389 178.444 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.527 HG21 ' CD2' ' A' ' 25' ' ' PHE . 2.9 t -85.31 149.27 4.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.564 1.165 . . . . 0.0 110.329 -179.319 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -139.66 104.96 5.04 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 114.889 -1.051 . . . . 0.0 110.508 179.498 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.501 ' CD1' ' HB ' ' A' ' 54' ' ' VAL . 22.7 m-85 -91.23 126.15 36.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 110.873 179.791 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.1 mt -139.2 161.42 57.65 Favored Pre-proline 0 C--N 1.324 -0.54 0 O-C-N 124.364 1.04 . . . . 0.0 108.663 179.717 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.444 ' HB2' ' HG3' ' A' ' 58' ' ' PRO . 41.8 Cg_endo . . . . . 0 C--N 1.356 0.956 0 O-C-N 124.636 1.861 . . . . 0.0 112.039 -178.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 37.9 m-85 . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 112.359 0.503 . . . . 0.0 112.359 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.7 p-10 -91.49 -7.59 50.04 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.328 1.017 . . . . 0.0 111.879 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 6.9 ttp180 -101.71 127.94 48.25 Favored 'General case' 0 C--N 1.322 -0.623 0 O-C-N 123.993 0.808 . . . . 0.0 109.845 -179.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.812 HG22 HG22 ' A' ' 69' ' ' VAL . 92.6 t -115.87 142.3 29.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.343 1.027 . . . . 0.0 110.255 -179.784 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 11.4 mtp180 -122.9 124.12 42.52 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 114.853 -1.067 . . . . 0.0 109.283 179.714 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 1.022 HG13 ' HB3' ' A' ' 67' ' ' PRO . 2.4 t -116.21 153.23 17.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.421 1.076 . . . . 0.0 110.784 -179.261 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.417 ' HB2' ' HB2' ' A' ' 65' ' ' HIS . 1.0 OUTLIER -121.48 136.24 54.97 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 114.815 -1.084 . . . . 0.0 110.312 179.436 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.436 ' C ' ' CD1' ' A' ' 56' ' ' TYR . 3.6 p90 -136.02 168.61 19.04 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.465 1.103 . . . . 0.0 110.445 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -91.8 118.35 68.23 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.208 0.942 . . . . 0.0 111.026 -178.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.444 ' HG3' ' HB2' ' A' ' 38' ' ' PRO . 34.4 Cg_endo -77.71 85.21 1.84 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.297 1.682 . . . . 0.0 110.937 179.225 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -166.84 -57.91 0.03 OUTLIER Glycine 0 CA--C 1.532 1.105 0 O-C-N 124.419 1.074 . . . . 0.0 110.75 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 15.4 t -130.59 6.97 4.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 0.787 . . . . 0.0 112.2 179.683 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 5.7 m120 70.26 72.88 0.22 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 123.844 0.715 . . . . 0.0 109.528 179.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.556 HG22 HG22 ' A' ' 17' ' ' THR . 9.9 t -144.19 126.74 11.18 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.321 0 O-C-N 124.629 1.206 . . . . 0.0 110.546 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.436 HG11 HG12 ' A' ' 13' ' ' VAL . 65.7 t -72.96 140.24 18.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.089 -0.96 . . . . 0.0 109.323 179.46 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -148.05 28.35 0.93 Allowed 'General case' 0 C--N 1.327 -0.385 0 O-C-N 124.436 1.085 . . . . 0.0 109.875 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 0.417 ' HB2' ' HB2' ' A' ' 55' ' ' PHE . 84.5 m-70 -149.51 125.79 10.79 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.42 1.075 . . . . 0.0 109.696 -179.815 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 45.6 t -54.68 110.41 2.14 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 109.305 179.77 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 1.022 ' HB3' HG13 ' A' ' 54' ' ' VAL . 22.5 Cg_endo -78.95 118.52 4.1 Favored 'Trans proline' 0 C--N 1.359 1.092 0 O-C-N 124.404 1.739 . . . . 0.0 110.917 179.584 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 5.2 p-80 -128.03 162.73 26.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.103 . . . . 0.0 109.547 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.812 HG22 HG22 ' A' ' 52' ' ' VAL . 20.4 t . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 0.0 109.601 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.8 m . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.913 -0.403 . . . . 0.0 109.913 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -122.49 96.23 46.06 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.139 . . . . 0.0 110.914 -179.825 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_endo -73.15 -7.09 20.05 Favored 'Trans proline' 0 C--N 1.365 1.441 0 O-C-N 124.017 1.536 . . . . 0.0 112.75 -179.182 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -73.5 -22.24 60.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.196 0.935 . . . . 0.0 110.56 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -99.48 29.62 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.333 1.021 . . . . 0.0 109.945 -179.739 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.546 HG21 HG22 ' A' ' 66' ' ' VAL . 15.5 t -101.46 108.72 24.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.436 1.085 . . . . 0.0 109.146 179.72 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 122.72 -21.14 7.61 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.561 1.163 . . . . 0.0 110.907 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 37.2 mttm -76.06 160.95 29.29 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.691 0.877 . . . . 0.0 108.64 -179.702 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.488 HG22 HG22 ' A' ' 62' ' ' VAL . 81.4 p -89.93 166.36 13.53 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.092 0.87 . . . . 0.0 111.037 -179.875 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.642 HG13 ' CE2' ' A' ' 36' ' ' PHE . 2.5 t -47.49 -60.48 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.641 1.213 . . . . 0.0 111.659 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -51.78 -36.98 49.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.112 0.882 . . . . 0.0 111.286 -179.131 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 11.8 mm-40 -64.85 -50.01 68.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.266 0.979 . . . . 0.0 110.537 -179.564 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.2 -3.5 17.22 Favored 'General case' 0 N--CA 1.452 -0.346 0 O-C-N 124.591 1.182 . . . . 0.0 113.0 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.6 tpm_? -83.19 -46.6 12.52 Favored 'General case' 0 C--N 1.321 -0.641 0 O-C-N 124.618 1.198 . . . . 0.0 109.74 179.761 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -68.79 -27.8 66.2 Favored 'General case' 0 N--CA 1.452 -0.356 0 O-C-N 124.649 1.218 . . . . 0.0 110.108 179.791 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 85.3 t80 -73.45 -51.32 17.61 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.557 1.161 . . . . 0.0 111.75 -179.735 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -70.54 -23.23 62.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 111.888 -179.514 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 3.4 m -78.42 -34.85 47.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.441 1.088 . . . . 0.0 112.379 -179.404 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 14.3 mt -83.86 -46.37 12.23 Favored 'General case' 0 N--CA 1.45 -0.435 0 O-C-N 124.102 0.877 . . . . 0.0 113.308 -178.475 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.476 ' HB2' ' CD1' ' A' ' 29' ' ' TYR . 21.7 m80 -85.12 -36.48 21.08 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.196 0.935 . . . . 0.0 112.912 -178.485 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.476 ' CD1' ' HB2' ' A' ' 28' ' ' HIS . 45.1 m-85 -125.12 60.63 29.67 Favored Pre-proline 0 C--N 1.323 -0.572 0 N-CA-C 114.878 1.436 . . . . 0.0 114.878 -178.225 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_endo -70.09 -2.42 10.37 Favored 'Trans proline' 0 C--N 1.359 1.099 0 O-C-N 123.768 1.404 . . . . 0.0 112.892 179.562 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -105.16 17.79 23.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.228 0.955 . . . . 0.0 111.581 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.414 ' CD2' HG23 ' A' ' 52' ' ' VAL 0.257 3.5 m-85 -124.3 128.81 49.69 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.203 -0.908 . . . . 0.0 110.126 179.837 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -87.23 98.46 11.33 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 177.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 3.9 t -83.47 151.43 3.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.516 1.135 . . . . 0.0 110.39 -179.362 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -136.92 127.41 26.75 Favored 'General case' 0 C--N 1.329 -0.312 0 O-C-N 124.422 1.076 . . . . 0.0 110.875 179.495 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.642 ' CE2' HG13 ' A' ' 18' ' ' VAL . 8.1 m-85 -100.74 130.91 46.84 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.255 0.972 . . . . 0.0 110.62 179.704 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.412 HD11 ' HE1' ' A' ' 55' ' ' PHE . 0.6 OUTLIER -147.37 153.46 44.23 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.38 1.05 . . . . 0.0 109.3 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo . . . . . 0 C--N 1.359 1.098 0 O-C-N 124.409 1.741 . . . . 0.0 111.241 -179.544 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 68.3 m-85 . . . . . 0 N--CA 1.451 -0.412 0 N-CA-C 112.588 0.588 . . . . 0.0 112.588 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -86.55 -12.76 47.84 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.608 1.192 . . . . 0.0 111.659 179.554 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.805 HH21 HH22 ' A' ' 53' ' ' ARG . 9.2 ttp180 -102.22 128.69 48.63 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 123.912 0.757 . . . . 0.0 109.852 -179.427 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.414 HG23 ' CD2' ' A' ' 32' ' ' TYR . 8.5 t -117.03 144.03 25.8 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.41 0 O-C-N 124.395 1.06 . . . . 0.0 109.239 179.342 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.805 HH22 HH21 ' A' ' 51' ' ' ARG . 0.3 OUTLIER -120.65 134.8 55.25 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 114.607 -1.178 . . . . 0.0 109.765 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.479 ' HB ' ' CD1' ' A' ' 36' ' ' PHE . 14.4 t -125.01 142.1 42.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.694 1.246 . . . . 0.0 109.221 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.412 ' HE1' HD11 ' A' ' 37' ' ' LEU . 22.4 m-30 -116.72 140.89 48.9 Favored 'General case' 0 N--CA 1.451 -0.419 0 O-C-N 124.562 1.164 . . . . 0.0 112.027 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 17.3 p90 -134.1 168.09 19.45 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 114.912 -1.04 . . . . 0.0 110.165 179.426 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.45 ' HA ' ' HD3' ' A' ' 58' ' ' PRO . 15.4 t-20 -84.22 141.16 39.73 Favored Pre-proline 0 C--N 1.325 -0.461 0 CA-C-N 115.402 -0.817 . . . . 0.0 111.957 -178.388 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.45 ' HD3' ' HA ' ' A' ' 57' ' ' ASN . 28.9 Cg_endo -78.43 81.35 2.77 Favored 'Trans proline' 0 C--N 1.366 1.491 0 O-C-N 123.885 1.466 . . . . 0.0 113.841 -179.163 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.41 ' C ' HG22 ' A' ' 60' ' ' THR . . . 127.25 55.82 0.13 Allowed Glycine 0 CA--C 1.529 0.957 0 N-CA-C 116.159 1.224 . . . . 0.0 116.159 178.181 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.41 HG22 ' C ' ' A' ' 59' ' ' GLY . 0.0 OUTLIER 168.05 -35.89 0.0 OUTLIER 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 123.745 0.818 . . . . 0.0 109.542 178.447 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 75.67 75.96 0.1 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 125.519 1.762 . . . . 0.0 109.114 -179.776 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.488 HG22 HG22 ' A' ' 17' ' ' THR . 74.2 t -144.19 134.86 21.03 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.39 0 CA-C-N 114.502 -1.226 . . . . 0.0 109.085 179.644 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 69.3 t -82.31 89.02 2.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 O-C-N 124.435 1.084 . . . . 0.0 109.223 179.785 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 47.0 p30 -97.36 20.92 10.8 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.444 1.09 . . . . 0.0 110.577 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 48.5 m-70 -138.46 123.98 19.56 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.313 1.008 . . . . 0.0 109.467 179.682 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.546 HG22 HG21 ' A' ' 14' ' ' VAL . 20.4 t -60.88 113.55 8.03 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.19 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_endo -78.1 149.85 25.73 Favored 'Trans proline' 0 C--N 1.359 1.091 0 O-C-N 124.52 1.8 . . . . 0.0 110.657 179.565 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 3.4 p-80 -145.51 162.64 36.92 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.367 1.042 . . . . 0.0 110.309 -179.723 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 1.4 t . . . . . 0 C--N 1.326 -0.44 0 CA-C-N 114.915 -1.039 . . . . 0.0 109.421 179.945 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.532 0.284 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -136.15 75.09 54.3 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.65 1.218 . . . . 0.0 111.049 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.474 ' HA ' HG13 ' A' ' 66' ' ' VAL . 19.4 Cg_endo -70.78 -15.48 33.27 Favored 'Trans proline' 0 C--N 1.368 1.574 0 O-C-N 123.509 1.268 . . . . 0.0 113.146 -179.162 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 19.7 tp10 -75.1 -17.38 60.45 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.032 0.832 . . . . 0.0 111.683 -179.637 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.552 HG13 ' HE2' ' A' ' 16' ' ' LYS . 1.3 t -91.23 48.82 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.245 0.966 . . . . 0.0 109.737 -179.579 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 1.6 t -120.26 130.5 74.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.352 1.032 . . . . 0.0 109.289 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 102.29 -20.8 43.64 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.531 1.145 . . . . 0.0 111.198 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.552 ' HE2' HG13 ' A' ' 13' ' ' VAL . 4.0 mtmt -75.24 -159.2 0.09 Allowed 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.658 -0.867 . . . . 0.0 108.658 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.683 HG22 HG22 ' A' ' 62' ' ' VAL . 31.0 p -129.81 168.45 16.55 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.392 1.058 . . . . 0.0 109.878 179.423 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.729 HG13 ' CE2' ' A' ' 36' ' ' PHE . 26.3 t -48.0 -49.31 11.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.431 1.082 . . . . 0.0 112.154 -179.468 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -54.05 -41.09 67.73 Favored 'General case' 0 C--O 1.239 0.533 0 N-CA-C 113.217 0.821 . . . . 0.0 113.217 -178.465 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 19.0 mm-40 -64.28 -50.52 67.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.17 0.919 . . . . 0.0 110.213 -179.401 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.11 -6.29 16.93 Favored 'General case' 0 N--CA 1.452 -0.335 0 O-C-N 124.662 1.226 . . . . 0.0 113.284 -179.59 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.662 ' HG3' HH11 ' A' ' 22' ' ' ARG . 3.2 tpm_? -81.28 -47.42 13.37 Favored 'General case' 0 C--N 1.321 -0.663 0 O-C-N 124.904 1.377 . . . . 0.0 109.335 179.368 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -75.68 -23.13 56.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 114.48 -1.236 . . . . 0.0 110.346 179.676 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 41.0 t80 -68.55 -49.35 60.19 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.344 1.027 . . . . 0.0 111.808 -179.65 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -70.29 -25.22 63.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 111.097 -179.762 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 31.2 m -69.91 -30.26 67.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.35 1.031 . . . . 0.0 110.378 179.833 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 18.3 mt -85.21 -46.46 11.04 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 114.226 1.195 . . . . 0.0 114.226 -178.222 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 22.5 m-70 -85.94 -52.62 5.61 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.067 0.854 . . . . 0.0 113.108 -178.116 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 49.2 m-85 -119.31 76.1 16.84 Favored Pre-proline 0 C--N 1.323 -0.546 0 N-CA-C 114.022 1.119 . . . . 0.0 114.022 -178.416 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_endo -82.63 12.39 2.91 Favored 'Trans proline' 0 C--N 1.358 1.055 0 O-C-N 123.925 1.487 . . . . 0.0 112.595 179.714 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -123.86 23.48 8.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.316 1.01 . . . . 0.0 110.157 179.781 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 1.2 m-30 -121.87 133.73 54.87 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 114.957 -1.019 . . . . 0.0 110.068 179.831 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -86.9 94.85 9.7 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 177.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.437 HG22 ' HB ' ' A' ' 52' ' ' VAL . 2.9 t -84.77 149.49 4.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.537 1.148 . . . . 0.0 111.003 -179.114 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.45 ' HE2' HH11 ' A' ' 51' ' ' ARG . 19.7 m-85 -133.14 162.16 32.48 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 114.864 -1.062 . . . . 0.0 110.47 179.388 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.729 ' CE2' HG13 ' A' ' 18' ' ' VAL . 28.4 m-85 -137.8 117.25 12.86 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.706 1.253 . . . . 0.0 111.088 -179.89 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.7 mt -133.6 160.52 68.29 Favored Pre-proline 0 C--N 1.323 -0.544 0 O-C-N 124.196 0.935 . . . . 0.0 108.88 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.428 ' HB3' ' HG3' ' A' ' 58' ' ' PRO . 19.2 Cg_endo . . . . . 0 C--N 1.36 1.138 0 O-C-N 124.475 1.776 . . . . 0.0 111.46 -179.406 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 . . . . . 0 CA--C 1.539 0.523 0 N-CA-C 114.559 1.318 . . . . 0.0 114.559 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.9 p-10 -88.71 -12.98 40.76 Favored 'General case' 0 C--N 1.323 -0.575 0 O-C-N 124.783 1.302 . . . . 0.0 112.1 -179.415 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.45 HH11 ' HE2' ' A' ' 35' ' ' TYR . 8.7 ttm180 -97.87 114.4 26.45 Favored 'General case' 0 C--N 1.323 -0.584 0 O-C-N 124.117 0.885 . . . . 0.0 109.751 -179.868 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.855 HG22 HG22 ' A' ' 69' ' ' VAL . 48.7 t -107.11 112.33 39.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.376 1.048 . . . . 0.0 110.345 -179.79 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 13.3 mtp180 -88.71 119.12 28.89 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.057 -0.974 . . . . 0.0 110.527 179.589 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 11.3 t -104.53 157.1 5.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.222 0.951 . . . . 0.0 110.126 -179.337 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.428 ' HB2' ' HB2' ' A' ' 65' ' ' HIS . 10.6 m-85 -126.77 134.1 50.68 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 114.886 -1.052 . . . . 0.0 110.826 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 20.1 p90 -137.58 166.01 24.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.319 1.012 . . . . 0.0 110.365 179.713 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -92.68 123.62 61.21 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.511 -179.517 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.428 ' HG3' ' HB3' ' A' ' 38' ' ' PRO . 32.9 Cg_endo -81.3 10.37 3.46 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.345 1.708 . . . . 0.0 112.475 -179.582 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -89.22 -64.36 1.29 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.234 0.959 . . . . 0.0 110.925 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 14.9 t -112.09 5.57 18.7 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.496 0.762 . . . . 0.0 112.399 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 16.6 m-80 64.91 66.74 0.56 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 123.934 0.771 . . . . 0.0 109.478 179.693 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.683 HG22 HG22 ' A' ' 17' ' ' THR . 23.0 t -145.34 135.71 18.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 O-C-N 124.497 1.123 . . . . 0.0 110.052 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 95.1 t -73.72 139.19 19.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.428 1.08 . . . . 0.0 109.034 179.141 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -148.02 29.48 0.89 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.446 1.091 . . . . 0.0 110.079 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 0.428 ' HB2' ' HB2' ' A' ' 55' ' ' PHE . 85.6 m-70 -148.51 125.65 11.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.372 1.045 . . . . 0.0 109.793 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.474 HG13 ' HA ' ' A' ' 11' ' ' PRO . 12.9 t -66.09 113.64 13.19 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.584 1.177 . . . . 0.0 109.141 179.774 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -83.6 141.79 10.05 Favored 'Trans proline' 0 C--N 1.359 1.096 0 O-C-N 124.504 1.792 . . . . 0.0 110.571 179.601 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 4.3 p-80 -147.88 163.64 36.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.315 1.009 . . . . 0.0 109.804 -179.766 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.855 HG22 HG22 ' A' ' 52' ' ' VAL . 1.5 t . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.346 1.029 . . . . 0.0 109.825 179.707 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 6.3 t . . . . . 0 CA--C 1.531 0.234 0 N-CA-C 109.573 -0.529 . . . . 0.0 109.573 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -126.79 97.66 32.56 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.598 1.186 . . . . 0.0 111.233 -179.799 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 11.6 Cg_endo -71.58 -10.33 26.53 Favored 'Trans proline' 0 C--N 1.364 1.363 0 O-C-N 124.282 1.675 . . . . 0.0 112.851 -179.394 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.8 -7.2 51.27 Favored 'General case' 0 N--CA 1.449 -0.486 0 O-C-N 124.349 1.031 . . . . 0.0 111.52 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 3.9 t -103.8 30.82 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.095 0.872 . . . . 0.0 109.738 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.1 t -102.38 111.66 32.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 O-C-N 124.413 1.071 . . . . 0.0 109.272 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 121.05 -25.17 7.18 Favored Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.455 1.097 . . . . 0.0 111.472 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 56.4 mttt -77.54 162.05 27.42 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.482 0.754 . . . . 0.0 109.133 -179.294 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.715 HG22 HG22 ' A' ' 62' ' ' VAL . 80.9 p -96.65 171.99 8.19 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.065 0.853 . . . . 0.0 110.298 179.862 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.618 HG13 ' CD1' ' A' ' 36' ' ' PHE . 20.1 t -49.41 -59.07 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 111.667 -179.844 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -49.29 -36.95 22.26 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.245 0.966 . . . . 0.0 111.459 -178.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 6.2 mm-40 -64.63 -51.51 62.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.345 1.028 . . . . 0.0 109.857 179.73 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.56 -2.08 15.7 Favored 'General case' 0 N--CA 1.453 -0.315 0 O-C-N 124.817 1.323 . . . . 0.0 112.945 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.404 ' HA ' ' HD3' ' A' ' 22' ' ' ARG . 0.0 OUTLIER -82.26 -46.2 13.99 Favored 'General case' 0 C--N 1.321 -0.634 0 O-C-N 124.566 1.167 . . . . 0.0 109.389 179.771 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -73.72 -29.32 62.19 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 114.671 -1.15 . . . . 0.0 110.661 179.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -74.05 -48.22 31.42 Favored 'General case' 0 N--CA 1.451 -0.411 0 O-C-N 124.259 0.974 . . . . 0.0 112.126 -179.422 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.669 ' CG ' HG21 ' A' ' 34' ' ' VAL . 1.7 m-85 -64.65 -25.03 67.78 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.523 1.139 . . . . 0.0 111.366 -179.799 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 29.7 m -77.68 -32.68 53.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.363 1.04 . . . . 0.0 112.363 -179.555 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 21.0 mt -84.57 -47.95 10.04 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 113.649 0.981 . . . . 0.0 113.649 -178.249 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 -86.0 -35.41 20.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.077 0.861 . . . . 0.0 112.795 -178.456 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 38.7 m-85 -121.99 55.87 6.53 Favored Pre-proline 0 C--N 1.324 -0.514 0 N-CA-C 113.545 0.943 . . . . 0.0 113.545 -178.564 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_endo -65.24 -27.02 56.35 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 123.977 1.514 . . . . 0.0 114.932 -178.579 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -94.56 19.36 9.9 Favored 'General case' 0 N--CA 1.449 -0.481 0 O-C-N 123.977 0.798 . . . . 0.0 112.223 -179.421 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . 0.258 0.6 OUTLIER -123.67 127.12 47.75 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 114.956 -1.02 . . . . 0.0 109.333 178.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -85.89 100.33 12.01 Favored 'General case' 0 C--N 1.322 -0.596 0 O-C-N 124.44 1.088 . . . . 0.0 108.665 178.69 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.669 HG21 ' CG ' ' A' ' 25' ' ' PHE . 2.1 t -86.18 144.04 10.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.384 1.053 . . . . 0.0 109.915 -179.567 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.521 ' CE2' ' HD3' ' A' ' 51' ' ' ARG . 2.6 m-30 -115.22 165.43 12.94 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.473 1.108 . . . . 0.0 110.528 179.219 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.618 ' CD1' HG13 ' A' ' 18' ' ' VAL . 16.4 m-85 -148.73 111.53 4.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.676 1.235 . . . . 0.0 110.837 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.845 HD12 HH22 ' A' ' 53' ' ' ARG . 0.4 OUTLIER -144.03 174.93 3.12 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.338 1.024 . . . . 0.0 109.0 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.467 ' CD ' ' HB3' ' A' ' 37' ' ' LEU . 4.2 Cg_endo . . . . . 0 C--N 1.36 1.169 0 O-C-N 124.573 1.828 . . . . 0.0 110.737 179.572 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 52.8 m-85 . . . . . 0 N--CA 1.453 -0.321 0 CA-C-O 120.606 0.241 . . . . 0.0 111.124 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 29.1 p-10 -87.53 -5.52 58.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.355 1.034 . . . . 0.0 111.475 177.808 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.521 ' HD3' ' CE2' ' A' ' 35' ' ' TYR . 7.0 ttm180 -117.41 117.81 30.49 Favored 'General case' 0 C--N 1.322 -0.593 0 O-C-N 123.84 0.712 . . . . 0.0 109.264 -179.084 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.628 HG22 HG13 ' A' ' 69' ' ' VAL . 1.4 t -103.09 118.23 49.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.393 1.058 . . . . 0.0 109.98 -179.548 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.845 HH22 HD12 ' A' ' 37' ' ' LEU . 14.0 mtp85 -87.5 135.55 33.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.269 0.981 . . . . 0.0 111.149 179.459 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.487 HG13 ' HB3' ' A' ' 67' ' ' PRO . 16.8 t -125.72 156.71 35.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.202 0.939 . . . . 0.0 109.639 -179.672 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -129.97 143.78 50.98 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.444 1.09 . . . . 0.0 111.487 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 11.5 p90 -144.38 168.09 20.91 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 114.85 -1.068 . . . . 0.0 110.364 179.585 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.424 ' HA ' ' HD3' ' A' ' 58' ' ' PRO . 2.5 t-20 -84.97 136.78 38.18 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.405 1.066 . . . . 0.0 109.553 -179.658 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 57' ' ' ASN . 38.9 Cg_endo -83.29 13.23 2.72 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.254 1.66 . . . . 0.0 112.479 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -120.65 -65.02 0.26 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.468 1.105 . . . . 0.0 111.949 -179.641 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 9.9 t -88.97 -9.61 50.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.415 0.715 . . . . 0.0 112.549 -179.37 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 10.9 m-80 58.74 63.34 1.69 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.26 0.975 . . . . 0.0 108.951 -179.608 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.715 HG22 HG22 ' A' ' 17' ' ' THR . 88.4 t -140.22 152.01 21.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 O-C-N 124.642 1.214 . . . . 0.0 110.058 -179.583 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 31.7 t -84.14 113.43 22.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.314 1.009 . . . . 0.0 109.207 179.82 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 2.0 p30 -105.31 -42.61 5.21 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.598 1.186 . . . . 0.0 110.113 -179.814 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 16.4 m-70 -85.77 134.78 33.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.372 1.045 . . . . 0.0 110.055 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 45.5 t -65.87 115.81 26.37 Favored Pre-proline 0 C--N 1.327 -0.396 0 O-C-N 124.396 1.06 . . . . 0.0 109.46 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.487 ' HB3' HG13 ' A' ' 54' ' ' VAL . 20.4 Cg_endo -74.97 142.39 27.89 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.556 1.819 . . . . 0.0 110.836 179.509 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 1.2 p80 -149.4 163.26 38.24 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.416 1.072 . . . . 0.0 109.779 -179.719 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.628 HG13 HG22 ' A' ' 52' ' ' VAL . 0.8 OUTLIER . . . . . 0 C--N 1.326 -0.439 0 O-C-N 124.47 1.106 . . . . 0.0 109.359 179.859 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 87.5 p . . . . . 0 N--CA 1.455 -0.199 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -126.72 97.11 33.8 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 111.028 -179.711 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_endo -75.34 -4.07 14.8 Favored 'Trans proline' 0 C--N 1.365 1.435 0 O-C-N 124.102 1.58 . . . . 0.0 112.985 -179.789 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -76.3 -14.94 60.09 Favored 'General case' 0 N--CA 1.448 -0.55 0 O-C-N 124.232 0.957 . . . . 0.0 112.258 -179.646 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 4.1 t -93.75 32.97 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 123.971 0.794 . . . . 0.0 109.996 -179.802 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 3.0 t -103.55 102.62 13.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.327 1.017 . . . . 0.0 109.027 179.735 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 127.65 -21.53 5.63 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.437 1.086 . . . . 0.0 111.561 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 16.3 mttm -75.37 162.16 28.63 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 -179.74 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.713 HG22 HG22 ' A' ' 62' ' ' VAL . 46.1 p -95.99 164.85 12.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.05 0.844 . . . . 0.0 110.555 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.51 HG13 ' CD1' ' A' ' 36' ' ' PHE . 12.1 t -49.23 -57.56 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.369 1.043 . . . . 0.0 111.4 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -51.2 -38.52 52.84 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.141 -0.936 . . . . 0.0 111.339 -179.019 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 21.2 mm-40 -63.5 -53.05 58.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 110.128 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.52 0.31 12.87 Favored 'General case' 0 C--N 1.327 -0.373 0 O-C-N 124.693 1.246 . . . . 0.0 112.988 -179.694 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.409 ' HA ' ' HD3' ' A' ' 22' ' ' ARG . 17.2 tpp85 -84.54 -46.46 11.57 Favored 'General case' 0 C--N 1.323 -0.576 0 O-C-N 124.418 1.074 . . . . 0.0 109.98 -179.621 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -75.15 -29.6 60.51 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 114.774 -1.103 . . . . 0.0 110.493 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 41.2 t80 -66.13 -48.24 71.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 111.006 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.572 ' CD2' HG21 ' A' ' 34' ' ' VAL . 3.7 m-85 -71.47 -24.38 61.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.145 . . . . 0.0 111.846 -179.775 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 13.8 m -76.81 -33.51 57.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.267 0.979 . . . . 0.0 112.022 -179.444 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 10.3 mt -86.68 -47.31 9.26 Favored 'General case' 0 N--CA 1.45 -0.461 0 N-CA-C 113.792 1.034 . . . . 0.0 113.792 -178.278 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.503 ' HB2' ' CD1' ' A' ' 29' ' ' TYR . 81.1 m-70 -86.47 -31.97 21.06 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.097 0.873 . . . . 0.0 113.292 -177.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.503 ' CD1' ' HB2' ' A' ' 28' ' ' HIS . 16.2 m-85 -124.61 63.38 36.6 Favored Pre-proline 0 C--O 1.24 0.578 0 N-CA-C 114.716 1.376 . . . . 0.0 114.716 -178.215 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_endo -72.22 -0.03 8.02 Favored 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 123.534 1.281 . . . . 0.0 113.129 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 7.8 pm0 -116.51 22.64 12.62 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.194 0.934 . . . . 0.0 110.461 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.402 ' CD2' ' HB3' ' A' ' 29' ' ' TYR 0.271 3.2 m-85 -128.31 123.08 33.11 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 114.885 -1.052 . . . . 0.0 110.125 -179.34 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -90.73 105.3 17.73 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.391 1.057 . . . . 0.0 108.797 179.004 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.572 HG21 ' CD2' ' A' ' 25' ' ' PHE . 2.4 t -86.93 150.05 3.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 O-C-N 124.418 1.073 . . . . 0.0 109.484 -179.498 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.495 ' CE2' ' HD2' ' A' ' 51' ' ' ARG . 1.0 OUTLIER -126.0 103.25 7.64 Favored 'General case' 0 C--N 1.328 -0.354 0 O-C-N 124.299 1.0 . . . . 0.0 110.833 179.51 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.51 ' CD1' HG13 ' A' ' 18' ' ' VAL . 18.7 m-85 -92.11 120.69 32.95 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.387 1.054 . . . . 0.0 110.733 179.662 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.438 ' HB3' ' HD2' ' A' ' 38' ' ' PRO . 54.7 mt -147.2 161.31 36.95 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.25 0.969 . . . . 0.0 109.491 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.438 ' HD2' ' HB3' ' A' ' 37' ' ' LEU . 21.7 Cg_endo . . . . . 0 C--N 1.361 1.187 0 O-C-N 124.465 1.771 . . . . 0.0 110.956 179.575 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 76.0 m-85 . . . . . 0 CA--C 1.534 0.331 0 N-CA-C 111.682 0.253 . . . . 0.0 111.682 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 32.6 p-10 -95.65 -6.73 39.39 Favored 'General case' 0 C--N 1.323 -0.573 0 O-C-N 124.635 1.21 . . . . 0.0 112.485 -178.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.495 ' HD2' ' CE2' ' A' ' 35' ' ' TYR . 1.6 ttp180 -100.37 121.08 40.93 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.049 0.843 . . . . 0.0 110.129 -178.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 1.246 HG22 ' CG2' ' A' ' 69' ' ' VAL . 62.0 t -109.11 120.81 61.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 O-C-N 124.308 1.005 . . . . 0.0 110.558 -179.732 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 4.0 mtm180 -89.32 114.83 26.27 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 114.946 -1.025 . . . . 0.0 110.48 179.681 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.482 HG11 ' CE1' ' A' ' 36' ' ' PHE . 50.0 t -110.67 153.24 12.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.274 0.984 . . . . 0.0 110.048 -179.684 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.449 ' HB2' ' CB ' ' A' ' 65' ' ' HIS . 4.2 m-85 -132.65 133.59 43.78 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 114.901 -1.045 . . . . 0.0 110.761 179.836 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.419 ' CD1' ' C ' ' A' ' 56' ' ' TYR . 3.6 p90 -137.08 167.28 21.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 110.805 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.405 ' ND2' ' HD2' ' A' ' 58' ' ' PRO . 17.4 t-20 -109.29 131.05 22.07 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.397 1.06 . . . . 0.0 109.565 -179.695 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.405 ' HD2' ' ND2' ' A' ' 57' ' ' ASN . 26.9 Cg_endo -79.06 -18.5 11.31 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.406 1.74 . . . . 0.0 111.748 179.606 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -50.19 -55.45 15.71 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.39 1.056 . . . . 0.0 111.57 -179.796 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 14.7 t -128.24 11.86 6.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.435 0.727 . . . . 0.0 112.063 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.6 m120 58.1 60.02 2.86 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 123.956 0.785 . . . . 0.0 109.916 179.567 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.713 HG22 HG22 ' A' ' 17' ' ' THR . 53.7 t -142.54 147.73 20.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 O-C-N 124.428 1.08 . . . . 0.0 109.707 179.815 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 30.6 t -81.38 137.31 21.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.387 1.054 . . . . 0.0 110.037 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 30.1 p30 -143.91 26.91 1.51 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.453 1.095 . . . . 0.0 109.293 179.811 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 0.449 ' CB ' ' HB2' ' A' ' 55' ' ' PHE . 3.5 m-70 -141.54 128.9 21.17 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 114.886 -1.052 . . . . 0.0 109.114 179.688 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 83.9 t -58.92 111.44 3.69 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.759 1.287 . . . . 0.0 109.187 179.816 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.406 ' HB3' HG13 ' A' ' 54' ' ' VAL . 46.7 Cg_endo -82.02 95.42 0.9 Allowed 'Trans proline' 0 C--N 1.359 1.081 0 O-C-N 124.518 1.799 . . . . 0.0 111.388 -179.432 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -116.27 162.83 16.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.326 1.016 . . . . 0.0 109.492 179.849 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 1.246 ' CG2' HG22 ' A' ' 52' ' ' VAL . 65.3 t . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.554 1.159 . . . . 0.0 109.239 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 20.5 p . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -124.83 94.46 44.18 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.579 1.175 . . . . 0.0 111.013 -179.849 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.531 ' HA ' HG13 ' A' ' 66' ' ' VAL . 30.9 Cg_endo -77.48 -1.92 12.1 Favored 'Trans proline' 0 C--N 1.366 1.465 0 O-C-N 123.917 1.483 . . . . 0.0 113.114 -179.642 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -74.63 -21.42 59.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.267 0.98 . . . . 0.0 110.199 -179.486 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.618 HG13 ' HD2' ' A' ' 16' ' ' LYS . 3.4 t -90.73 44.92 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.457 1.098 . . . . 0.0 109.703 -179.738 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.1 t -111.37 111.04 34.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.138 179.773 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 118.99 -19.44 10.18 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.452 1.095 . . . . 0.0 111.483 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.618 ' HD2' HG13 ' A' ' 13' ' ' VAL . 10.5 mttt -73.11 -164.32 0.17 Allowed 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.699 HG22 HG22 ' A' ' 62' ' ' VAL . 72.9 p -127.59 168.21 15.3 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.503 1.127 . . . . 0.0 110.079 179.764 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 17.0 t -50.26 -59.77 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.454 1.097 . . . . 0.0 111.237 -179.756 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -51.59 -34.78 38.63 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.15 -0.932 . . . . 0.0 110.828 -179.107 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.95 -52.8 58.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.452 1.095 . . . . 0.0 109.72 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.62 -0.76 13.82 Favored 'General case' 0 C--N 1.328 -0.368 0 O-C-N 124.64 1.213 . . . . 0.0 113.061 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -83.4 -45.89 13.16 Favored 'General case' 0 C--N 1.322 -0.607 0 O-C-N 124.507 1.129 . . . . 0.0 109.785 -179.838 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -75.4 -25.18 57.4 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 114.76 -1.109 . . . . 0.0 110.596 -179.804 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 14.2 t80 -67.98 -53.86 22.89 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.402 1.064 . . . . 0.0 111.475 -179.801 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -67.81 -22.51 65.16 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.548 1.155 . . . . 0.0 112.046 -179.554 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 16.6 m -75.98 -32.86 59.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.34 1.025 . . . . 0.0 111.748 -179.649 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 16.2 mt -87.09 -45.64 10.53 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 113.734 1.013 . . . . 0.0 113.734 -178.304 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 11.8 m170 -84.45 -41.2 16.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.137 0.898 . . . . 0.0 113.005 -178.396 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 40.2 m-85 -124.41 66.04 43.27 Favored Pre-proline 0 C--O 1.241 0.646 0 N-CA-C 114.785 1.402 . . . . 0.0 114.785 -178.211 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -74.45 2.75 5.97 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 123.485 1.255 . . . . 0.0 113.338 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -112.79 21.27 15.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.302 1.001 . . . . 0.0 110.602 179.622 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.433 ' CD1' HG23 ' A' ' 52' ' ' VAL 0.26 3.4 m-85 -125.53 131.22 52.82 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 114.99 -1.005 . . . . 0.0 110.159 -179.779 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -89.09 97.63 11.31 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.353 1.033 . . . . 0.0 108.318 178.366 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 4.0 t -84.84 149.74 4.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.609 1.193 . . . . 0.0 110.93 -179.157 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 31.4 m-85 -142.09 123.47 14.84 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 114.758 -1.11 . . . . 0.0 110.451 179.586 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.505 ' O ' HD23 ' A' ' 37' ' ' LEU . 49.9 m-85 -99.88 130.92 46.11 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.331 1.019 . . . . 0.0 111.439 -179.521 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.681 HD11 ' NE ' ' A' ' 53' ' ' ARG . 0.7 OUTLIER -129.55 178.32 1.75 Allowed Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.196 0.935 . . . . 0.0 108.562 179.093 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.496 ' CD ' ' CB ' ' A' ' 37' ' ' LEU . 4.3 Cg_endo . . . . . 0 C--N 1.36 1.143 0 O-C-N 124.455 1.766 . . . . 0.0 110.883 179.64 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 . . . . . 0 CA--C 1.536 0.414 0 N-CA-C 112.443 0.535 . . . . 0.0 112.443 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 -95.01 -7.2 40.4 Favored 'General case' 0 C--N 1.323 -0.582 0 O-C-N 124.828 1.33 . . . . 0.0 112.449 -178.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 1.2 ttm180 -102.32 131.58 48.84 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.093 0.871 . . . . 0.0 112.021 -178.468 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 1.213 ' CG2' HG22 ' A' ' 69' ' ' VAL . 55.6 t -117.28 146.45 21.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.37 1.044 . . . . 0.0 108.828 179.029 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.681 ' NE ' HD11 ' A' ' 37' ' ' LEU . 0.0 OUTLIER -121.05 138.41 54.19 Favored 'General case' 0 C--N 1.323 -0.568 0 O-C-N 124.624 1.202 . . . . 0.0 110.113 -179.606 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 1.061 HG13 ' HB3' ' A' ' 67' ' ' PRO . 8.0 t -130.97 157.49 43.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.591 1.182 . . . . 0.0 109.802 -179.688 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.433 ' HB2' ' HB2' ' A' ' 65' ' ' HIS . 29.1 m-85 -127.11 140.23 52.41 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.421 1.076 . . . . 0.0 110.821 179.855 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.441 ' CD1' ' C ' ' A' ' 56' ' ' TYR . 6.4 p90 -145.52 165.52 28.37 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.646 1.216 . . . . 0.0 110.64 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -92.95 124.46 58.31 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.498 1.124 . . . . 0.0 109.481 -179.522 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 21.8 Cg_endo -77.65 6.01 4.8 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.326 1.698 . . . . 0.0 112.775 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -87.87 -73.67 1.28 Allowed Glycine 0 CA--C 1.529 0.966 0 N-CA-C 110.761 -0.936 . . . . 0.0 110.761 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.417 HG23 HG23 ' A' ' 62' ' ' VAL . 14.7 t -96.1 2.49 53.26 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.495 0.762 . . . . 0.0 112.38 179.593 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.9 m120 61.86 63.28 1.14 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 123.923 0.765 . . . . 0.0 109.776 179.682 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.699 HG22 HG22 ' A' ' 17' ' ' THR . 53.8 t -142.41 141.61 27.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 O-C-N 124.46 1.1 . . . . 0.0 109.999 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 67.9 t -80.99 139.77 17.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 115.014 -0.994 . . . . 0.0 109.252 179.774 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 27.0 p30 -142.11 24.28 1.99 Allowed 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.508 1.13 . . . . 0.0 110.151 -179.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 0.433 ' HB2' ' HB2' ' A' ' 55' ' ' PHE . 78.9 m-70 -148.15 135.19 20.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.406 1.066 . . . . 0.0 109.676 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.531 HG13 ' HA ' ' A' ' 11' ' ' PRO . 13.4 t -66.48 114.88 19.24 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.605 1.191 . . . . 0.0 109.053 179.722 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 1.061 ' HB3' HG13 ' A' ' 54' ' ' VAL . 28.7 Cg_endo -76.34 113.35 3.66 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.502 1.791 . . . . 0.0 111.059 -179.536 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 2.1 p80 -109.99 163.17 13.82 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.435 1.084 . . . . 0.0 109.732 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 1.213 HG22 ' CG2' ' A' ' 52' ' ' VAL . 43.3 t . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.594 1.184 . . . . 0.0 109.005 179.497 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 63.8 m . . . . . 0 N--CA 1.453 -0.322 0 CA-C-O 120.615 0.245 . . . . 0.0 110.387 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -139.77 99.24 7.64 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.431 1.082 . . . . 0.0 110.754 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 29.3 Cg_endo -75.88 1.95 7.58 Favored 'Trans proline' 0 C--N 1.364 1.37 0 O-C-N 124.159 1.61 . . . . 0.0 112.839 -179.496 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -75.5 -24.13 56.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.206 0.941 . . . . 0.0 110.933 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -100.12 37.24 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.323 1.014 . . . . 0.0 109.284 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 4.0 t -102.71 101.83 12.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.456 1.097 . . . . 0.0 109.376 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 126.0 -20.35 6.36 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.532 1.145 . . . . 0.0 111.507 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.0 mttm -76.52 161.07 28.92 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 -179.486 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -93.36 166.62 12.2 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.061 0.851 . . . . 0.0 109.852 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.659 HG13 ' CZ ' ' A' ' 36' ' ' PHE . 22.8 t -45.2 -62.84 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.497 0 O-C-N 124.094 0.871 . . . . 0.0 112.444 -179.657 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -50.54 -37.27 38.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 123.967 0.792 . . . . 0.0 111.62 -179.016 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 9.0 mm100 -64.96 -49.68 69.37 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.329 1.018 . . . . 0.0 110.467 -179.698 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.26 -3.46 17.22 Favored 'General case' 0 C--N 1.328 -0.33 0 O-C-N 124.584 1.178 . . . . 0.0 112.98 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.486 HH21 ' HE2' ' A' ' 36' ' ' PHE . 0.6 OUTLIER -83.53 -46.69 12.14 Favored 'General case' 0 C--N 1.322 -0.627 0 O-C-N 124.652 1.22 . . . . 0.0 109.603 179.801 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -69.03 -25.85 64.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 114.728 -1.124 . . . . 0.0 110.247 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 75.2 t80 -74.23 -48.75 26.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.405 1.066 . . . . 0.0 111.387 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.558 ' CD2' HG21 ' A' ' 34' ' ' VAL . 3.6 m-85 -73.56 -22.16 60.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 111.877 -179.458 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 3.0 m -75.47 -33.51 60.84 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.324 1.015 . . . . 0.0 111.536 -179.706 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 17.5 mt -85.45 -45.39 11.88 Favored 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 114.234 1.198 . . . . 0.0 114.234 -178.159 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 12.0 m-70 -84.91 -39.77 17.8 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.113 0.883 . . . . 0.0 113.364 -178.121 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.422 ' HB3' ' HB2' ' A' ' 32' ' ' TYR . 33.1 m-85 -119.38 75.51 16.89 Favored Pre-proline 0 C--N 1.323 -0.583 0 N-CA-C 114.524 1.305 . . . . 0.0 114.524 -178.732 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 10.7 Cg_endo -76.23 5.41 4.61 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 123.689 1.362 . . . . 0.0 113.388 179.773 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -121.68 17.3 11.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.408 1.068 . . . . 0.0 111.384 179.792 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.422 ' HB2' ' HB3' ' A' ' 29' ' ' TYR 0.255 1.1 m-30 -123.39 118.39 27.37 Favored 'General case' 0 C--N 1.321 -0.649 0 O-C-N 124.174 0.921 . . . . 0.0 109.742 179.544 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -89.91 108.39 19.68 Favored 'General case' 0 C--N 1.323 -0.571 0 O-C-N 124.436 1.085 . . . . 0.0 108.273 178.658 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.558 HG21 ' CD2' ' A' ' 25' ' ' PHE . 2.7 t -85.86 148.14 4.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 0.0 110.728 -179.232 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 32.0 m-85 -129.65 123.63 31.68 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 114.682 -1.144 . . . . 0.0 109.95 179.228 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.659 ' CZ ' HG13 ' A' ' 18' ' ' VAL . 55.1 m-85 -92.01 127.31 37.43 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.54 1.15 . . . . 0.0 111.533 -179.474 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.436 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 1.3 mp -134.19 152.2 77.83 Favored Pre-proline 0 C--N 1.324 -0.535 0 O-C-N 124.212 0.945 . . . . 0.0 108.513 179.548 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 37' ' ' LEU . 56.1 Cg_endo . . . . . 0 C--N 1.357 0.976 0 O-C-N 124.648 1.867 . . . . 0.0 112.116 -179.128 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 68.5 m-85 . . . . . 0 N--CA 1.451 -0.398 0 N-CA-C 113.151 0.797 . . . . 0.0 113.151 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 -91.26 -6.63 52.96 Favored 'General case' 0 C--N 1.323 -0.568 0 O-C-N 124.382 1.051 . . . . 0.0 112.282 -179.739 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 5.6 ttm180 -130.41 121.28 25.63 Favored 'General case' 0 C--N 1.322 -0.615 0 O-C-N 124.202 0.939 . . . . 0.0 111.171 -177.489 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.665 HG22 HG13 ' A' ' 69' ' ' VAL . 54.3 t -113.92 129.64 69.46 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.344 0 O-C-N 124.104 0.878 . . . . 0.0 109.1 179.281 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 45.2 mtt-85 -90.2 147.09 23.78 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 114.9 -1.046 . . . . 0.0 111.877 -179.612 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.413 ' C ' ' CD1' ' A' ' 55' ' ' PHE . 38.9 t -142.12 144.85 24.65 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.367 0 CA-C-N 115.159 -0.928 . . . . 0.0 109.49 179.691 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.433 ' CD1' ' N ' ' A' ' 55' ' ' PHE . 0.8 OUTLIER -124.82 133.65 53.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.33 1.019 . . . . 0.0 111.117 -179.51 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 11.3 p90 -145.12 167.66 22.2 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.36 1.037 . . . . 0.0 110.286 179.731 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.69 ' HB3' HG22 ' A' ' 60' ' ' THR . 2.0 t-20 -85.72 147.94 47.47 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.23 0.956 . . . . 0.0 110.112 -179.353 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_endo -86.21 -32.09 0.26 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.155 1.608 . . . . 0.0 113.114 -179.071 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -99.44 33.23 6.36 Favored Glycine 0 CA--C 1.528 0.86 0 O-C-N 124.133 0.896 . . . . 0.0 113.609 -178.806 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.69 HG22 ' HB3' ' A' ' 57' ' ' ASN . 0.7 OUTLIER -172.41 -41.43 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 O-C-N 124.483 0.755 . . . . 0.0 111.411 179.232 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 78.05 66.49 0.04 OUTLIER 'General case' 0 N--CA 1.45 -0.47 0 O-C-N 124.226 0.954 . . . . 0.0 110.606 -179.794 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.569 HG23 HG23 ' A' ' 60' ' ' THR . 72.7 t -143.23 141.16 26.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 O-C-N 124.384 1.052 . . . . 0.0 108.925 179.047 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 85.0 t -82.95 99.16 5.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 O-C-N 124.568 1.167 . . . . 0.0 109.079 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 3.5 p30 -109.92 30.27 6.86 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.531 1.144 . . . . 0.0 109.812 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 0.421 ' HB2' ' HB2' ' A' ' 55' ' ' PHE . 32.1 m80 -146.19 136.04 23.4 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.305 1.003 . . . . 0.0 109.218 179.444 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 79.6 t -63.49 113.98 11.53 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.755 1.284 . . . . 0.0 109.093 179.65 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 30.7 Cg_endo -76.96 144.17 23.8 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.445 1.76 . . . . 0.0 111.043 -179.54 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 1.6 p80 -149.39 163.74 36.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.423 1.077 . . . . 0.0 109.716 -179.637 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.665 HG13 HG22 ' A' ' 52' ' ' VAL . 1.9 t . . . . . 0 C--N 1.324 -0.524 0 O-C-N 124.398 1.061 . . . . 0.0 109.478 179.74 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.467 ' CD1' ' N ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -127.76 102.42 22.51 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.441 1.088 . . . . 0.0 110.681 179.954 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -71.97 -10.12 25.67 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.345 1.708 . . . . 0.0 112.685 -179.062 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -74.89 1.9 11.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.052 0.845 . . . . 0.0 112.534 -179.814 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 16.5 t -103.56 -9.15 9.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 123.951 0.782 . . . . 0.0 111.62 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 5.4 t -72.24 101.76 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 123.895 0.747 . . . . 0.0 109.704 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 134.16 -25.46 3.49 Favored Glycine 0 CA--C 1.527 0.838 0 O-C-N 124.407 1.067 . . . . 0.0 112.795 179.54 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.8 mtmt -78.24 165.75 23.53 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 -179.217 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -99.52 163.67 12.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.44 1.087 . . . . 0.0 109.638 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.707 HG13 ' CD1' ' A' ' 36' ' ' PHE . 21.3 t -45.47 -60.75 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 N-CA-C 113.612 0.967 . . . . 0.0 113.612 -179.156 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -55.47 -33.14 63.39 Favored 'General case' 0 C--O 1.239 0.523 0 N-CA-C 112.689 0.625 . . . . 0.0 112.689 -178.199 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 8.3 mm100 -64.43 -52.12 59.7 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.337 1.023 . . . . 0.0 109.475 179.794 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.23 -1.34 14.81 Favored 'General case' 0 C--N 1.327 -0.37 0 O-C-N 124.634 1.209 . . . . 0.0 112.984 179.776 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.8 tpp85 -83.09 -45.56 13.83 Favored 'General case' 0 C--N 1.32 -0.684 0 O-C-N 124.561 1.163 . . . . 0.0 109.721 -179.788 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -73.82 -28.34 61.57 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 114.727 -1.124 . . . . 0.0 110.826 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 68.5 t80 -70.83 -48.37 54.38 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.433 1.083 . . . . 0.0 112.019 -179.744 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.549 ' CD2' HG21 ' A' ' 34' ' ' VAL . 11.6 m-30 -72.58 -20.27 61.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.319 1.012 . . . . 0.0 112.633 -179.278 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 3.9 m -77.4 -34.72 54.73 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.304 1.002 . . . . 0.0 112.069 -179.339 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 16.1 mt -87.65 -45.74 10.13 Favored 'General case' 0 N--CA 1.449 -0.484 0 O-C-N 124.275 0.984 . . . . 0.0 113.219 -178.41 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 14.4 m-70 -85.48 -36.06 20.81 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.259 0.974 . . . . 0.0 112.996 -178.39 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 10.3 m-85 -120.93 53.7 3.48 Favored Pre-proline 0 C--N 1.324 -0.52 0 N-CA-C 114.194 1.183 . . . . 0.0 114.194 -178.396 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -66.43 -18.72 55.16 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 123.992 1.522 . . . . 0.0 114.256 -179.002 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 8.4 pm0 -90.81 15.1 11.87 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 123.988 0.805 . . . . 0.0 112.403 -179.238 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . 0.263 1.0 OUTLIER -124.97 126.6 45.72 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.272 -0.876 . . . . 0.0 109.293 179.633 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 13.1 t0 -86.3 100.87 12.59 Favored 'General case' 0 C--N 1.322 -0.6 0 O-C-N 124.528 1.143 . . . . 0.0 108.224 178.103 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.549 HG21 ' CD2' ' A' ' 25' ' ' PHE . 3.5 t -83.97 150.07 4.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.605 1.191 . . . . 0.0 110.452 -179.53 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -142.25 126.8 17.87 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 114.818 -1.083 . . . . 0.0 110.479 179.337 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.707 ' CD1' HG13 ' A' ' 18' ' ' VAL . 23.1 m-85 -102.81 133.3 48.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.371 1.044 . . . . 0.0 111.121 -179.757 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.426 ' HB2' ' HD2' ' A' ' 38' ' ' PRO . 0.2 OUTLIER -148.52 164.72 20.43 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.393 1.058 . . . . 0.0 109.329 -179.945 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.426 ' HD2' ' HB2' ' A' ' 37' ' ' LEU . 4.6 Cg_endo . . . . . 0 C--N 1.36 1.156 0 O-C-N 124.302 1.685 . . . . 0.0 110.816 -179.715 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 39.0 m-85 . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 112.043 0.386 . . . . 0.0 112.043 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 34.4 p-10 -87.92 -10.92 49.14 Favored 'General case' 0 C--N 1.323 -0.574 0 O-C-N 124.545 1.153 . . . . 0.0 111.627 179.348 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 3.2 ttp180 -110.27 126.19 53.91 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 123.962 0.789 . . . . 0.0 110.32 -179.721 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.572 HG22 HG13 ' A' ' 69' ' ' VAL . 93.1 t -114.1 105.3 18.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.318 1.011 . . . . 0.0 110.062 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 42.8 mtm-85 -88.61 130.19 35.33 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 114.828 -1.078 . . . . 0.0 110.928 179.719 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.632 HG13 ' HB3' ' A' ' 67' ' ' PRO . 2.6 t -115.04 160.72 14.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.155 0.909 . . . . 0.0 109.537 -179.766 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.457 ' O ' HG13 ' A' ' 63' ' ' VAL . 7.0 m-85 -128.3 134.31 48.89 Favored 'General case' 0 C--N 1.327 -0.39 0 O-C-N 124.449 1.093 . . . . 0.0 111.073 179.814 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 14.7 p90 -135.84 166.66 22.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.339 1.024 . . . . 0.0 110.05 179.492 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -86.62 133.72 39.3 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.332 1.02 . . . . 0.0 110.128 -179.406 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 27.6 Cg_endo -77.82 6.4 4.58 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.311 1.69 . . . . 0.0 112.629 179.472 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -94.85 -65.31 0.99 Allowed Glycine 0 CA--C 1.528 0.897 0 O-C-N 124.156 0.91 . . . . 0.0 112.006 -179.574 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.488 HG23 HG23 ' A' ' 62' ' ' VAL . 11.2 t -110.82 16.49 21.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.412 0.713 . . . . 0.0 111.725 -179.383 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 10.5 m120 53.68 25.68 5.21 Favored 'General case' 0 C--O 1.239 0.501 0 CA-C-N 115.856 -0.611 . . . . 0.0 112.51 178.44 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.488 HG23 HG23 ' A' ' 60' ' ' THR . 82.9 t -100.94 145.67 10.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.141 0.901 . . . . 0.0 110.734 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.457 HG13 ' O ' ' A' ' 55' ' ' PHE . 25.1 t -81.49 132.47 31.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 114.797 -1.092 . . . . 0.0 109.678 179.765 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 35.2 p30 -143.95 26.81 1.51 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.582 1.176 . . . . 0.0 109.273 179.763 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 38.2 m80 -135.9 123.58 22.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.388 1.055 . . . . 0.0 109.322 179.551 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 76.2 t -57.94 111.01 2.95 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.776 1.298 . . . . 0.0 109.206 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.632 ' HB3' HG13 ' A' ' 54' ' ' VAL . 42.6 Cg_endo -81.55 142.51 13.04 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.556 1.819 . . . . 0.0 110.641 -179.625 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 8.9 p80 -143.88 162.2 36.73 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.369 1.043 . . . . 0.0 110.201 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.572 HG13 HG22 ' A' ' 52' ' ' VAL . 9.5 t . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.709 1.256 . . . . 0.0 108.67 179.226 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 96.7 p . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.978 -0.378 . . . . 0.0 109.978 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -123.09 97.47 43.35 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.581 1.176 . . . . 0.0 110.706 179.739 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 11.5 Cg_endo -71.53 -9.98 26.02 Favored 'Trans proline' 0 C--N 1.364 1.361 0 O-C-N 124.344 1.708 . . . . 0.0 112.618 -179.317 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -72.14 -22.5 61.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.214 0.946 . . . . 0.0 110.583 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 3.5 t -91.14 46.06 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.445 1.091 . . . . 0.0 109.638 -179.821 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.1 t -116.05 120.07 63.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.472 1.108 . . . . 0.0 109.045 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 105.71 -23.05 30.66 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.529 1.143 . . . . 0.0 110.634 -179.551 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 22.2 mttm -71.53 162.66 29.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.711 0.889 . . . . 0.0 108.64 179.821 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -100.07 164.09 12.14 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.039 0.837 . . . . 0.0 110.254 -179.394 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.542 HG13 ' CG ' ' A' ' 36' ' ' PHE . 94.4 t -46.89 -59.43 0.67 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.551 0 O-C-N 124.206 0.941 . . . . 0.0 112.013 179.639 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -49.32 -39.35 30.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.241 0.963 . . . . 0.0 111.42 -179.004 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 8.7 mm100 -64.71 -50.76 65.67 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.327 1.017 . . . . 0.0 110.071 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.66 -3.14 16.93 Favored 'General case' 0 N--CA 1.452 -0.326 0 O-C-N 124.74 1.275 . . . . 0.0 113.0 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.26 -46.18 14.02 Favored 'General case' 0 C--N 1.322 -0.624 0 O-C-N 124.704 1.252 . . . . 0.0 109.45 179.664 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -71.53 -26.17 62.54 Favored 'General case' 0 C--N 1.328 -0.354 0 O-C-N 124.55 1.156 . . . . 0.0 109.982 179.752 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 74.6 t80 -74.76 -50.41 17.45 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.349 1.031 . . . . 0.0 111.221 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.544 ' CD2' HG21 ' A' ' 34' ' ' VAL . 3.8 m-85 -68.63 -24.42 64.56 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.408 1.068 . . . . 0.0 111.76 -179.643 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 3.9 m -76.19 -33.65 59.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.242 0.964 . . . . 0.0 111.849 -179.678 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 19.8 mt -85.87 -47.92 9.23 Favored 'General case' 0 N--CA 1.45 -0.443 0 N-CA-C 114.078 1.14 . . . . 0.0 114.078 -178.122 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.522 ' HB2' ' CD1' ' A' ' 29' ' ' TYR . 30.1 m-70 -86.05 -32.53 21.38 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 123.976 0.798 . . . . 0.0 113.005 -178.02 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.522 ' CD1' ' HB2' ' A' ' 28' ' ' HIS . 18.9 m-85 -124.19 62.88 30.9 Favored Pre-proline 0 C--O 1.241 0.634 0 N-CA-C 114.494 1.294 . . . . 0.0 114.494 -178.366 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -72.49 0.38 7.59 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 123.57 1.3 . . . . 0.0 112.982 179.609 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 9.0 pm0 -117.36 22.92 12.14 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.167 0.917 . . . . 0.0 110.417 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.414 ' HB2' ' HB3' ' A' ' 29' ' ' TYR 0.272 3.3 m-85 -128.97 125.86 38.34 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 114.824 -1.08 . . . . 0.0 109.999 -179.309 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -90.95 102.16 14.92 Favored 'General case' 0 C--N 1.323 -0.58 0 O-C-N 124.268 0.98 . . . . 0.0 108.765 179.134 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.63 HG22 ' HB ' ' A' ' 52' ' ' VAL . 2.6 t -86.74 150.82 3.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.52 -179.435 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -137.25 117.82 13.88 Favored 'General case' 0 C--N 1.328 -0.35 0 O-C-N 124.412 1.07 . . . . 0.0 110.937 179.681 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.542 ' CG ' HG13 ' A' ' 18' ' ' VAL . 48.1 m-85 -97.97 123.7 42.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.241 0.963 . . . . 0.0 110.5 179.741 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.582 HD21 ' HD3' ' A' ' 53' ' ' ARG . 0.6 OUTLIER -149.08 164.74 19.88 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.276 0.985 . . . . 0.0 109.525 -179.526 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.444 ' HD2' ' HB2' ' A' ' 37' ' ' LEU . 2.5 Cg_endo . . . . . 0 C--N 1.359 1.114 0 O-C-N 124.41 1.742 . . . . 0.0 110.629 179.456 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 18.4 m-85 . . . . . 0 N--CA 1.451 -0.392 0 N-CA-C 110.832 -0.062 . . . . 0.0 110.832 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -87.53 -12.99 44.21 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.557 1.161 . . . . 0.0 111.87 179.801 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 2.9 ttp180 -107.54 118.54 36.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 123.955 0.784 . . . . 0.0 109.995 -179.71 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.63 ' HB ' HG22 ' A' ' 34' ' ' VAL . 2.0 t -93.64 147.05 5.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 O-C-N 124.314 1.009 . . . . 0.0 110.662 -179.576 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.582 ' HD3' HD21 ' A' ' 37' ' ' LEU . 1.4 mtt-85 -121.24 88.2 2.89 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 114.621 -1.172 . . . . 0.0 109.154 179.269 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.452 HG11 ' CE1' ' A' ' 36' ' ' PHE . 59.3 t -85.5 152.55 3.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 O-C-N 124.704 1.252 . . . . 0.0 109.706 -179.709 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.427 ' HB2' ' HB2' ' A' ' 65' ' ' HIS . 40.4 m-85 -125.55 145.34 50.16 Favored 'General case' 0 N--CA 1.452 -0.373 0 O-C-N 124.472 1.107 . . . . 0.0 111.829 -179.786 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 2.6 p90 -142.12 169.96 16.6 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.532 1.145 . . . . 0.0 110.188 179.573 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.436 ' HA ' ' HD3' ' A' ' 58' ' ' PRO . 19.2 t-20 -84.59 128.58 60.73 Favored Pre-proline 0 C--N 1.324 -0.531 0 CA-C-N 115.465 -0.788 . . . . 0.0 110.438 -179.236 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 57' ' ' ASN . 25.2 Cg_endo -80.73 81.98 2.59 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.521 1.8 . . . . 0.0 110.729 179.349 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -168.78 -57.31 0.03 OUTLIER Glycine 0 CA--C 1.532 1.116 0 O-C-N 124.512 1.132 . . . . 0.0 110.721 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.486 HG23 ' H ' ' A' ' 61' ' ' ASN . 0.1 OUTLIER -119.63 -77.17 0.57 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.613 0.831 . . . . 0.0 110.203 179.611 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.486 ' H ' HG23 ' A' ' 60' ' ' THR . 1.2 p30 161.17 84.98 0.0 OUTLIER 'General case' 0 CA--C 1.541 0.607 0 O-C-N 124.223 0.952 . . . . 0.0 108.662 178.017 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.427 HG12 ' N ' ' A' ' 63' ' ' VAL . 24.0 t -144.77 159.56 14.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 O-C-N 124.525 1.141 . . . . 0.0 108.917 179.426 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.427 ' N ' HG12 ' A' ' 62' ' ' VAL . 90.2 t -109.65 115.88 50.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 O-C-N 124.622 1.201 . . . . 0.0 108.994 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -120.45 23.28 10.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.772 1.295 . . . . 0.0 110.197 -179.57 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 0.427 ' HB2' ' HB2' ' A' ' 55' ' ' PHE . 45.3 m-70 -144.68 125.3 14.09 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.407 1.067 . . . . 0.0 109.538 179.868 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 12.4 t -61.73 113.12 7.42 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.574 1.172 . . . . 0.0 109.118 179.758 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_endo -78.11 128.23 8.93 Favored 'Trans proline' 0 C--N 1.358 1.07 0 O-C-N 124.567 1.825 . . . . 0.0 110.52 -179.613 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 7.7 p-80 -120.41 163.77 17.39 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.342 1.026 . . . . 0.0 109.87 -179.499 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 1.5 t . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.129 . . . . 0.0 109.565 179.516 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.534 0.348 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -114.76 76.7 4.29 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.597 1.186 . . . . 0.0 113.374 -179.154 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.441 ' HA ' HG13 ' A' ' 66' ' ' VAL . 22.2 Cg_endo -70.82 -16.15 33.09 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.223 1.644 . . . . 0.0 113.064 179.843 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 46.9 tt0 -74.12 -15.02 61.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.111 0.882 . . . . 0.0 111.957 -179.478 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 8.5 t -91.18 48.16 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.316 1.01 . . . . 0.0 109.959 -179.673 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 71.7 t -118.79 133.66 64.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.388 1.055 . . . . 0.0 109.326 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 97.31 -14.76 63.19 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.436 1.085 . . . . 0.0 111.956 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.47 ' C ' HG22 ' A' ' 17' ' ' THR . 36.5 mttt -74.02 -131.71 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.559 0 O-C-N 124.409 0.711 . . . . 0.0 109.269 -179.174 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.47 HG22 ' C ' ' A' ' 16' ' ' LYS . 0.3 OUTLIER -168.34 163.3 12.84 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.468 0.651 . . . . 0.0 111.287 -179.249 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 22.1 t -49.47 -53.0 10.35 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.429 0 CA-C-N 115.061 -0.972 . . . . 0.0 111.99 -179.505 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -57.68 -41.99 82.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 123.964 0.79 . . . . 0.0 111.42 -179.138 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.416 ' HG2' ' HB3' ' A' ' 16' ' ' LYS . 14.2 tp60 -63.17 -53.59 50.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.242 0.964 . . . . 0.0 110.084 -179.785 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.53 -0.67 13.38 Favored 'General case' 0 N--CA 1.452 -0.368 0 O-C-N 124.647 1.217 . . . . 0.0 113.086 -179.648 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.405 ' HD3' ' HA ' ' A' ' 22' ' ' ARG . 0.2 OUTLIER -81.76 -46.86 13.65 Favored 'General case' 0 C--N 1.321 -0.632 0 O-C-N 124.464 1.102 . . . . 0.0 108.996 179.617 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -78.01 -24.72 47.84 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 114.631 -1.168 . . . . 0.0 110.851 -179.753 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 62.3 t80 -75.7 -50.09 16.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.261 0.975 . . . . 0.0 113.118 -179.116 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 19.4 m-85 -73.12 -21.36 60.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.34 1.025 . . . . 0.0 111.878 -179.355 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.8 m -77.15 -34.6 56.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.32 1.013 . . . . 0.0 112.008 -179.663 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 16.3 mt -86.65 -46.32 10.18 Favored 'General case' 0 N--CA 1.451 -0.412 0 O-C-N 124.183 0.927 . . . . 0.0 113.442 -178.351 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 31.6 m-70 -85.43 -36.18 20.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.119 0.887 . . . . 0.0 112.862 -178.426 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 13.0 m-85 -121.19 53.49 3.59 Favored Pre-proline 0 C--N 1.323 -0.549 0 N-CA-C 114.147 1.166 . . . . 0.0 114.147 -178.508 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -67.39 -10.03 27.29 Favored 'Trans proline' 0 C--N 1.359 1.089 0 O-C-N 123.852 1.449 . . . . 0.0 113.075 -179.039 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -97.36 18.09 15.99 Favored 'General case' 0 N--CA 1.451 -0.377 0 O-C-N 124.325 1.016 . . . . 0.0 112.091 -179.225 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . 0.268 3.6 m-85 -129.52 133.16 47.1 Favored 'General case' 0 C--N 1.322 -0.606 0 O-C-N 124.133 0.896 . . . . 0.0 110.555 -178.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 15.4 t0 -92.84 102.79 15.18 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.303 1.002 . . . . 0.0 108.688 179.221 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.488 HG22 ' HB ' ' A' ' 52' ' ' VAL . 2.5 t -86.22 148.53 4.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.449 1.093 . . . . 0.0 110.23 -179.598 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.424 ' CE1' ' HG3' ' A' ' 51' ' ' ARG . 21.7 m-85 -136.37 114.41 11.41 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 114.87 -1.059 . . . . 0.0 110.636 179.751 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.44 ' O ' HD23 ' A' ' 37' ' ' LEU . 64.6 m-85 -91.88 129.33 37.87 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.29 0.994 . . . . 0.0 110.984 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.44 HD23 ' O ' ' A' ' 36' ' ' PHE . 0.6 OUTLIER -144.42 164.14 30.29 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.348 1.03 . . . . 0.0 109.017 -179.935 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 24.8 Cg_endo . . . . . 0 C--N 1.36 1.143 0 O-C-N 124.42 1.747 . . . . 0.0 110.981 179.659 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 21.1 m-30 . . . . . 0 N--CA 1.452 -0.359 0 N-CA-C 114.209 1.188 . . . . 0.0 114.209 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 15.8 p-10 -91.18 -12.77 34.39 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.464 1.102 . . . . 0.0 112.483 -178.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.424 ' HG3' ' CE1' ' A' ' 35' ' ' TYR . 8.4 ttm180 -112.94 124.09 51.81 Favored 'General case' 0 C--N 1.323 -0.571 0 O-C-N 124.057 0.848 . . . . 0.0 110.356 -179.443 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.488 ' HB ' HG22 ' A' ' 34' ' ' VAL . 47.1 t -98.36 146.83 7.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 O-C-N 124.393 1.058 . . . . 0.0 109.524 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 1.9 mtm180 -118.74 95.24 4.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.384 1.052 . . . . 0.0 109.574 179.761 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.597 HG13 ' HB3' ' A' ' 67' ' ' PRO . 9.7 t -88.24 156.38 3.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.694 1.247 . . . . 0.0 110.094 -179.598 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.435 ' O ' HG13 ' A' ' 63' ' ' VAL . 45.0 m-85 -128.49 147.47 50.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.414 1.071 . . . . 0.0 110.798 179.646 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 10.5 p90 -147.88 166.44 27.63 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.593 1.183 . . . . 0.0 111.584 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -85.78 138.66 35.33 Favored Pre-proline 0 C--N 1.326 -0.425 0 CA-C-N 114.821 -1.081 . . . . 0.0 109.393 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 30.7 Cg_endo -80.95 9.98 3.58 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.38 1.727 . . . . 0.0 112.525 179.641 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -91.08 -87.34 1.41 Allowed Glycine 0 CA--C 1.529 0.93 0 O-C-N 124.166 0.916 . . . . 0.0 110.99 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 14.9 t -91.92 2.81 56.29 Favored 'General case' 0 N--CA 1.449 -0.484 0 O-C-N 124.395 0.703 . . . . 0.0 112.491 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 3.6 m120 66.71 67.15 0.43 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.175 0.922 . . . . 0.0 109.285 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 2.1 t -135.84 140.48 44.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.402 1.064 . . . . 0.0 109.333 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.435 HG13 ' O ' ' A' ' 55' ' ' PHE . 41.0 t -75.67 141.37 15.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.414 1.071 . . . . 0.0 109.442 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.403 HD21 ' CE1' ' A' ' 65' ' ' HIS . 1.1 p30 -149.26 29.34 0.79 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.452 1.095 . . . . 0.0 110.008 -179.708 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 0.432 ' HB2' ' HB2' ' A' ' 55' ' ' PHE . 33.2 m80 -147.94 123.54 10.45 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 115.199 -0.91 . . . . 0.0 109.346 179.562 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.441 HG13 ' HA ' ' A' ' 11' ' ' PRO . 89.0 t -54.28 109.26 1.44 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.734 1.271 . . . . 0.0 109.567 179.799 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.597 ' HB3' HG13 ' A' ' 54' ' ' VAL . 45.4 Cg_endo -84.17 91.55 0.82 Allowed 'Trans proline' 0 C--N 1.358 1.057 0 O-C-N 124.443 1.759 . . . . 0.0 110.744 179.557 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -90.77 162.3 14.93 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.138 0.899 . . . . 0.0 110.052 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 15.9 t . . . . . 0 C--N 1.327 -0.401 0 O-C-N 124.427 1.08 . . . . 0.0 109.346 -179.99 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -135.14 104.75 10.38 Favored Pre-proline 0 N--CA 1.45 -0.464 0 O-C-N 124.373 1.045 . . . . 0.0 112.007 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 15.0 Cg_endo -71.62 -11.13 27.71 Favored 'Trans proline' 0 C--N 1.363 1.326 0 O-C-N 124.147 1.604 . . . . 0.0 112.507 -179.464 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -76.02 -18.61 59.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.062 0.851 . . . . 0.0 111.466 -179.651 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.467 ' HA ' ' CE ' ' A' ' 16' ' ' LYS . 19.6 t -91.67 50.82 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.294 0.996 . . . . 0.0 109.878 -179.598 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 24.6 t -139.43 120.98 15.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.385 1.053 . . . . 0.0 109.217 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 110.27 -31.13 7.65 Favored Glycine 0 CA--C 1.528 0.891 0 O-C-N 124.502 1.126 . . . . 0.0 112.163 179.767 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.467 ' CE ' ' HA ' ' A' ' 13' ' ' VAL . 0.1 OUTLIER -79.35 162.45 25.56 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.368 0.687 . . . . 0.0 109.184 -179.028 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.683 HG22 HG22 ' A' ' 62' ' ' VAL . 65.3 p -91.08 169.73 10.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.036 0.835 . . . . 0.0 110.269 179.84 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.527 HG13 ' CD1' ' A' ' 36' ' ' PHE . 20.6 t -48.72 -58.39 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 111.718 -179.856 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -50.62 -39.63 50.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.322 1.014 . . . . 0.0 111.013 -179.171 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 6.6 mm100 -63.65 -52.7 59.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.457 1.098 . . . . 0.0 110.206 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.85 -0.33 13.16 Favored 'General case' 0 N--CA 1.451 -0.388 0 O-C-N 124.604 1.19 . . . . 0.0 113.049 -179.798 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -83.54 -46.74 12.08 Favored 'General case' 0 C--N 1.321 -0.657 0 O-C-N 124.441 1.088 . . . . 0.0 109.543 -179.857 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -72.92 -26.17 61.31 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 114.659 -1.155 . . . . 0.0 110.137 179.692 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 68.1 t80 -70.06 -52.04 27.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.561 1.163 . . . . 0.0 111.331 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.517 ' CG ' HG21 ' A' ' 34' ' ' VAL . 5.1 m-85 -69.82 -26.28 64.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.539 1.149 . . . . 0.0 110.844 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 7.4 m -78.23 -34.61 49.13 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 112.179 -179.534 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 25.6 mt -80.14 -48.78 12.66 Favored 'General case' 0 N--CA 1.448 -0.545 0 N-CA-C 113.587 0.958 . . . . 0.0 113.587 -178.378 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 15.2 m80 -87.77 -34.97 18.13 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.171 0.92 . . . . 0.0 113.319 -177.642 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 40.5 m-85 -123.76 56.64 10.9 Favored Pre-proline 0 C--N 1.324 -0.516 0 N-CA-C 114.313 1.227 . . . . 0.0 114.313 -178.359 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -69.01 -7.41 20.76 Favored 'Trans proline' 0 C--N 1.358 1.055 0 O-C-N 123.949 1.5 . . . . 0.0 113.28 -179.064 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -102.31 17.56 23.16 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.448 1.092 . . . . 0.0 111.811 -179.498 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . 0.259 1.8 m-85 -124.66 134.96 52.71 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.226 -0.897 . . . . 0.0 109.958 179.807 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 15.7 t0 -89.32 92.19 9.06 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.518 1.136 . . . . 0.0 108.569 178.664 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.517 HG21 ' CG ' ' A' ' 25' ' ' PHE . 2.5 t -85.35 150.14 4.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.537 1.148 . . . . 0.0 109.935 -179.636 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.537 ' HE2' HH11 ' A' ' 51' ' ' ARG . 1.8 m-85 -123.39 156.79 34.76 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.323 1.015 . . . . 0.0 110.803 179.802 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.527 ' CD1' HG13 ' A' ' 18' ' ' VAL . 14.7 m-85 -143.01 107.89 4.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 110.972 -179.868 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.406 ' HB2' ' HD2' ' A' ' 38' ' ' PRO . 0.9 OUTLIER -143.3 166.54 19.53 Favored Pre-proline 0 C--N 1.326 -0.425 0 O-C-N 124.315 1.009 . . . . 0.0 109.195 -179.86 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.406 ' HD2' ' HB2' ' A' ' 37' ' ' LEU . 18.7 Cg_endo . . . . . 0 C--N 1.36 1.17 0 O-C-N 124.539 1.81 . . . . 0.0 111.214 -179.592 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 63.6 m-85 . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 113.199 0.814 . . . . 0.0 113.199 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 48.7 p-10 -87.87 -11.35 47.99 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.442 1.089 . . . . 0.0 111.797 179.441 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.537 HH11 ' HE2' ' A' ' 35' ' ' TYR . 3.1 ttm180 -106.8 113.23 26.6 Favored 'General case' 0 C--N 1.323 -0.577 0 O-C-N 123.988 0.805 . . . . 0.0 109.664 179.801 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.928 HG22 HG22 ' A' ' 69' ' ' VAL . 46.8 t -105.45 154.53 6.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 O-C-N 124.355 1.034 . . . . 0.0 110.756 -179.313 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.421 ' HA ' ' HB2' ' A' ' 35' ' ' TYR . 46.2 mtt180 -122.24 136.54 54.92 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 114.751 -1.113 . . . . 0.0 109.511 179.821 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 21.6 t -123.91 154.76 30.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.637 1.211 . . . . 0.0 109.862 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 63.8 m-85 -126.17 140.59 52.44 Favored 'General case' 0 C--N 1.327 -0.392 0 O-C-N 124.464 1.102 . . . . 0.0 111.257 179.755 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 13.0 p90 -139.76 170.37 16.01 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 114.919 -1.037 . . . . 0.0 110.435 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -87.68 129.75 49.58 Favored Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.313 1.008 . . . . 0.0 109.505 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_endo -85.03 37.85 0.63 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.236 1.65 . . . . 0.0 113.266 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -141.81 -63.86 0.03 OUTLIER Glycine 0 CA--C 1.531 1.052 0 N-CA-C 110.585 -1.006 . . . . 0.0 110.585 179.663 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 9.3 t -88.13 -18.5 28.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 0.784 . . . . 0.0 111.064 179.521 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 69.81 63.12 0.25 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.206 0.941 . . . . 0.0 109.033 -179.677 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.683 HG22 HG22 ' A' ' 17' ' ' THR . 96.2 t -142.21 143.28 26.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.578 1.174 . . . . 0.0 109.827 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 66.1 t -80.99 129.67 37.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 114.99 -1.005 . . . . 0.0 109.091 179.721 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -142.1 35.55 1.54 Allowed 'General case' 0 C--N 1.327 -0.386 0 O-C-N 124.517 1.135 . . . . 0.0 110.505 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 14.9 m80 -148.55 123.83 10.22 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.351 1.032 . . . . 0.0 109.331 179.582 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 60.4 t -57.4 110.3 2.37 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.778 1.299 . . . . 0.0 109.117 179.572 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.434 ' HG2' ' HB ' ' A' ' 13' ' ' VAL . 56.1 Cg_endo -83.76 111.36 1.71 Allowed 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.445 1.761 . . . . 0.0 111.576 -179.28 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -106.17 164.62 11.85 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.1 -0.955 . . . . 0.0 109.246 179.761 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.928 HG22 HG22 ' A' ' 52' ' ' VAL . 1.4 t . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.647 1.217 . . . . 0.0 108.947 178.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.9 p . . . . . 0 CA--C 1.532 0.257 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -122.21 98.01 44.81 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 111.226 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.544 ' HA ' HG13 ' A' ' 66' ' ' VAL . 10.9 Cg_endo -71.08 -8.9 24.57 Favored 'Trans proline' 0 C--N 1.366 1.484 0 O-C-N 124.046 1.551 . . . . 0.0 112.561 -179.758 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -79.67 8.13 7.15 Favored 'General case' 0 C--N 1.323 -0.566 0 O-C-N 123.994 0.809 . . . . 0.0 112.67 -179.141 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 59.9 t -95.27 -25.05 4.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 124.074 0.858 . . . . 0.0 110.207 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 6.4 t -60.26 125.26 16.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.552 -179.784 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 117.04 -39.29 2.71 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.507 1.129 . . . . 0.0 112.782 179.477 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.464 ' HB3' ' CG ' ' A' ' 20' ' ' GLN . 2.3 mtpt -77.1 166.36 23.38 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.325 0.662 . . . . 0.0 109.771 -179.017 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -100.32 166.99 10.69 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.121 . . . . 0.0 110.012 -179.645 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.657 HG13 ' CE2' ' A' ' 36' ' ' PHE . 24.1 t -46.24 -63.08 0.31 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.533 0 O-C-N 123.873 0.733 . . . . 0.0 112.597 -179.527 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 14.9 p-10 -50.44 -40.23 49.94 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 123.904 0.753 . . . . 0.0 111.804 -178.704 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.464 ' CG ' ' HB3' ' A' ' 16' ' ' LYS . 9.4 tp60 -63.68 -51.77 63.6 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.239 -0.891 . . . . 0.0 110.086 -179.867 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.78 -5.72 17.72 Favored 'General case' 0 N--CA 1.452 -0.339 0 O-C-N 124.398 1.061 . . . . 0.0 113.359 -179.655 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -80.64 -46.29 15.86 Favored 'General case' 0 C--N 1.32 -0.709 0 O-C-N 124.936 1.397 . . . . 0.0 109.031 179.167 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.24 -24.43 64.0 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 114.412 -1.267 . . . . 0.0 109.961 179.383 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.441 ' C ' ' CD1' ' A' ' 24' ' ' TYR . 3.7 t80 -65.54 -51.44 59.86 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 110.777 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.715 ' CD2' HG21 ' A' ' 34' ' ' VAL . 17.4 m-85 -68.7 -23.22 64.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 110.593 179.745 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 23.7 m -67.64 -30.33 69.87 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.319 1.012 . . . . 0.0 110.21 179.821 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 16.5 mt -86.44 -46.19 10.45 Favored 'General case' 0 N--CA 1.449 -0.49 0 N-CA-C 114.269 1.211 . . . . 0.0 114.269 -178.196 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 90.1 m-70 -86.24 -53.65 4.91 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.054 0.846 . . . . 0.0 113.234 -177.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 51.5 m-85 -119.26 75.47 15.92 Favored Pre-proline 0 C--N 1.323 -0.559 0 N-CA-C 114.052 1.13 . . . . 0.0 114.052 -178.329 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -73.9 2.12 6.34 Favored 'Trans proline' 0 C--N 1.359 1.091 0 O-C-N 123.817 1.43 . . . . 0.0 113.229 -178.798 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 6.3 pm0 -115.38 21.11 14.35 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.287 0.992 . . . . 0.0 110.705 179.59 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 1.6 m-30 -120.37 117.5 27.92 Favored 'General case' 0 C--N 1.322 -0.601 0 O-C-N 124.258 0.973 . . . . 0.0 110.273 179.55 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -85.74 102.59 13.77 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 107.856 -1.164 . . . . 0.0 107.856 177.299 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.715 HG21 ' CD2' ' A' ' 25' ' ' PHE . 2.5 t -84.85 150.64 3.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 O-C-N 124.536 1.148 . . . . 0.0 110.946 -178.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.417 ' HB2' ' HA ' ' A' ' 53' ' ' ARG . 6.6 m-30 -114.82 147.37 39.93 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.027 -0.988 . . . . 0.0 110.271 179.186 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.657 ' CE2' HG13 ' A' ' 18' ' ' VAL . 8.1 m-85 -128.38 115.65 18.57 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.684 1.24 . . . . 0.0 110.7 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.408 HD23 ' O ' ' A' ' 36' ' ' PHE . 3.5 mt -144.75 160.68 46.4 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.315 1.009 . . . . 0.0 109.219 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 22.1 Cg_endo . . . . . 0 C--N 1.359 1.094 0 O-C-N 124.515 1.797 . . . . 0.0 110.56 179.427 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 69.9 m-85 . . . . . 0 N--CA 1.45 -0.434 0 N-CA-C 112.945 0.72 . . . . 0.0 112.945 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -88.97 -11.6 43.9 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.458 1.099 . . . . 0.0 112.08 -179.656 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 11.7 ttm180 -122.6 123.68 41.74 Favored 'General case' 0 C--N 1.323 -0.575 0 O-C-N 124.138 0.899 . . . . 0.0 111.107 -178.56 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 1.091 ' CG2' HG22 ' A' ' 69' ' ' VAL . 65.7 t -117.3 154.35 19.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.274 0.983 . . . . 0.0 108.486 179.255 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.417 ' HA ' ' HB2' ' A' ' 35' ' ' TYR . 2.5 mtm-85 -122.01 149.85 42.91 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.488 1.118 . . . . 0.0 110.275 -179.237 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 77.0 t -142.11 149.25 19.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 O-C-N 124.459 1.1 . . . . 0.0 109.684 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.499 ' N ' ' CD1' ' A' ' 55' ' ' PHE . 1.0 OUTLIER -118.63 134.38 55.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 110.902 -179.912 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 14.0 p90 -142.89 168.19 20.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.427 1.079 . . . . 0.0 110.468 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -85.0 132.39 45.85 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.434 1.084 . . . . 0.0 109.623 -179.649 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_endo -81.1 10.24 3.49 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.268 1.667 . . . . 0.0 112.403 179.58 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -95.76 -67.49 0.98 Allowed Glycine 0 CA--C 1.529 0.923 0 O-C-N 124.138 0.899 . . . . 0.0 111.649 -179.643 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 14.3 t -108.93 -0.21 19.79 Favored 'General case' 0 N--CA 1.45 -0.47 0 O-C-N 124.309 0.652 . . . . 0.0 112.726 -179.676 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 8.2 m-20 68.79 70.98 0.28 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.073 0.858 . . . . 0.0 109.21 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 12.1 t -143.47 134.18 22.2 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.363 0 O-C-N 124.57 1.169 . . . . 0.0 110.476 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 61.5 t -72.39 132.87 32.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 114.874 -1.057 . . . . 0.0 109.74 179.764 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 16.4 p30 -140.16 24.71 2.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.429 1.081 . . . . 0.0 109.826 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 0.433 ' HB2' ' HB2' ' A' ' 55' ' ' PHE . 78.5 m-70 -148.34 139.68 23.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.349 1.031 . . . . 0.0 109.527 179.779 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.544 HG13 ' HA ' ' A' ' 11' ' ' PRO . 10.8 t -66.55 114.74 18.74 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.494 1.121 . . . . 0.0 109.583 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -79.78 145.62 18.14 Favored 'Trans proline' 0 C--N 1.358 1.064 0 O-C-N 124.532 1.806 . . . . 0.0 110.865 179.54 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -140.17 163.3 33.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.314 1.008 . . . . 0.0 109.633 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 1.091 HG22 ' CG2' ' A' ' 52' ' ' VAL . 6.3 t . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 0.0 109.312 179.9 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 91.9 p . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -124.57 97.67 38.92 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.555 1.16 . . . . 0.0 110.791 179.763 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -73.61 -6.17 18.28 Favored 'Trans proline' 0 C--N 1.365 1.421 0 O-C-N 124.159 1.61 . . . . 0.0 112.611 -179.767 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 23.0 tp10 -71.07 -20.12 62.39 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.105 0.878 . . . . 0.0 110.903 -179.98 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 3.3 t -91.59 45.28 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.314 1.009 . . . . 0.0 109.226 179.881 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 37.6 t -115.03 123.2 70.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.157 . . . . 0.0 109.177 179.854 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 113.87 -23.43 13.1 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.599 1.187 . . . . 0.0 110.988 -179.958 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.7 mttp -76.21 162.37 28.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 0.774 . . . . 0.0 108.982 -179.606 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -98.77 164.22 12.31 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.105 0.878 . . . . 0.0 109.895 179.962 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.448 HG13 ' CG ' ' A' ' 36' ' ' PHE . 40.2 t -45.12 -59.94 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.322 1.014 . . . . 0.0 112.719 -179.448 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -50.55 -40.19 51.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.011 0.82 . . . . 0.0 111.327 -179.122 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 13.8 mm-40 -63.69 -52.53 60.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.348 1.03 . . . . 0.0 110.084 -179.822 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.39 -0.86 13.56 Favored 'General case' 0 N--CA 1.452 -0.348 0 O-C-N 124.691 1.244 . . . . 0.0 113.108 -179.688 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.448 ' HA ' ' HD3' ' A' ' 22' ' ' ARG . 11.2 tpp85 -83.03 -46.68 12.56 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 124.456 1.098 . . . . 0.0 109.526 179.86 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -73.97 -23.94 59.55 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 114.444 -1.253 . . . . 0.0 110.566 179.951 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 39.4 t80 -69.84 -49.13 55.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.445 1.091 . . . . 0.0 112.202 -179.585 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.8 ' CG ' HG21 ' A' ' 34' ' ' VAL . 7.4 m-85 -70.89 -22.88 62.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 111.871 -179.414 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 45.5 m -74.55 -30.9 61.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.237 0.96 . . . . 0.0 111.46 -179.797 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 17.4 mt -88.86 -45.31 9.82 Favored 'General case' 0 N--CA 1.449 -0.491 0 N-CA-C 114.336 1.236 . . . . 0.0 114.336 -178.025 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 93.9 m-70 -82.8 -42.1 18.3 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.062 0.851 . . . . 0.0 112.877 -178.604 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 46.0 m-85 -119.62 75.66 18.79 Favored Pre-proline 0 C--N 1.323 -0.576 0 N-CA-C 114.068 1.136 . . . . 0.0 114.068 -178.925 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 22.3 Cg_endo -80.82 10.22 3.44 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.01 1.531 . . . . 0.0 112.916 179.976 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -124.54 19.36 8.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.431 1.082 . . . . 0.0 111.283 -179.713 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . 0.273 3.1 m-85 -129.58 134.85 47.95 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.16 -0.927 . . . . 0.0 110.043 -179.358 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.412 ' HB2' ' HG3' ' A' ' 51' ' ' ARG . 4.9 m-20 -89.53 97.61 11.29 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.422 1.076 . . . . 0.0 108.365 178.652 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.8 HG21 ' CG ' ' A' ' 25' ' ' PHE . 3.1 t -84.1 151.38 3.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.627 1.204 . . . . 0.0 109.324 -179.807 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.437 ' CE2' ' HD2' ' A' ' 51' ' ' ARG . 47.6 m-85 -144.61 131.53 20.3 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.585 1.178 . . . . 0.0 110.969 179.754 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.515 ' CD1' ' HB ' ' A' ' 54' ' ' VAL . 32.3 m-85 -113.38 106.33 14.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.374 1.046 . . . . 0.0 110.469 179.8 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.429 ' HB3' ' HD2' ' A' ' 38' ' ' PRO . 52.2 mt -130.94 164.22 43.54 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.284 0.99 . . . . 0.0 109.412 -179.518 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.429 ' HD2' ' HB3' ' A' ' 37' ' ' LEU . 3.4 Cg_endo . . . . . 0 C--N 1.361 1.227 0 O-C-N 124.386 1.73 . . . . 0.0 110.745 179.584 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 62.6 m-85 . . . . . 0 CA--C 1.535 0.402 0 CA-C-O 120.646 0.26 . . . . 0.0 110.412 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -93.7 -9.17 38.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.683 1.24 . . . . 0.0 112.199 -179.132 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.437 ' HD2' ' CE2' ' A' ' 35' ' ' TYR . 1.7 ttp180 -108.8 128.87 55.27 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.086 0.866 . . . . 0.0 109.937 -179.323 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.588 ' HB ' HG22 ' A' ' 34' ' ' VAL . 5.6 t -99.57 137.68 26.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 124.414 1.071 . . . . 0.0 109.328 179.839 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.14 93.46 4.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.828 179.965 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 1.034 HG13 ' HB3' ' A' ' 67' ' ' PRO . 3.7 t -92.04 159.6 2.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.597 1.186 . . . . 0.0 109.143 179.727 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -125.99 146.29 49.94 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.455 1.097 . . . . 0.0 111.449 -179.869 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 19.5 p90 -144.55 166.65 24.55 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.484 1.115 . . . . 0.0 110.543 179.747 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -91.66 126.35 54.34 Favored Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 124.578 1.174 . . . . 0.0 109.421 -179.779 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_endo -73.85 1.71 6.76 Favored 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.412 1.743 . . . . 0.0 112.774 -179.757 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -99.79 -78.65 1.38 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.168 0.917 . . . . 0.0 111.628 -179.611 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.8 t -70.92 -16.38 62.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.399 0.705 . . . . 0.0 111.699 -179.864 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 68.9 43.74 1.15 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.303 1.002 . . . . 0.0 108.995 -179.663 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 22.6 t -133.95 149.57 30.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.597 1.185 . . . . 0.0 109.379 -179.824 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 42.8 t -79.25 130.18 36.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.39 1.056 . . . . 0.0 109.476 -179.983 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.438 ' ND2' ' CD2' ' A' ' 65' ' ' HIS . 0.9 OUTLIER -135.08 27.81 3.5 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.671 1.232 . . . . 0.0 109.218 179.948 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 0.438 ' CD2' ' ND2' ' A' ' 64' ' ' ASN . 98.3 m-70 -144.73 124.89 13.66 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.475 1.11 . . . . 0.0 109.654 179.905 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 38.6 t -55.87 112.01 3.81 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.566 1.166 . . . . 0.0 108.918 179.71 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 1.034 ' HB3' HG13 ' A' ' 54' ' ' VAL . 23.8 Cg_endo -73.44 140.35 30.03 Favored 'Trans proline' 0 C--N 1.361 1.223 0 O-C-N 124.572 1.827 . . . . 0.0 111.27 -179.375 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 3.3 p-80 -138.41 165.05 27.78 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 114.906 -1.043 . . . . 0.0 109.039 -179.929 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.444 HG13 HG22 ' A' ' 52' ' ' VAL . 3.8 t . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 109.546 179.763 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.427 ' HB3' ' HB3' ' A' ' 68' ' ' HIS . 30.8 p . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.919 -0.4 . . . . 0.0 109.919 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.406 ' O ' HG12 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -126.8 97.78 32.32 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.903 -179.866 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_endo -77.18 -1.51 11.69 Favored 'Trans proline' 0 C--N 1.363 1.312 0 O-C-N 124.114 1.586 . . . . 0.0 113.092 -179.761 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.23 -25.81 60.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.291 0.995 . . . . 0.0 109.948 -179.441 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.406 HG12 ' O ' ' A' ' 10' ' ' PHE . 9.7 p -95.1 39.36 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.661 1.225 . . . . 0.0 109.987 -179.766 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.5 t -98.6 137.36 26.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.387 1.055 . . . . 0.0 109.138 179.819 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 90.58 -15.51 60.11 Favored Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.463 1.102 . . . . 0.0 112.059 -179.944 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.497 ' O ' HG13 ' A' ' 62' ' ' VAL . 6.9 mttt -72.16 -165.66 0.19 Allowed 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 -179.967 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.731 HG22 HG22 ' A' ' 62' ' ' VAL . 6.1 p -129.17 166.68 18.87 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.256 0.972 . . . . 0.0 110.264 -179.735 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.785 HG13 ' CE1' ' A' ' 36' ' ' PHE . 58.6 t -48.05 -58.48 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 111.761 -179.82 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -55.11 -36.11 65.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.215 0.947 . . . . 0.0 111.041 -179.082 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.66 -52.67 56.11 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.551 1.157 . . . . 0.0 109.352 -179.833 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.19 -0.37 14.08 Favored 'General case' 0 C--N 1.329 -0.303 0 O-C-N 124.592 1.182 . . . . 0.0 112.741 179.971 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 8.2 ttm180 -82.2 -46.12 14.17 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 124.468 1.105 . . . . 0.0 109.352 179.697 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -73.01 -27.59 61.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 114.722 -1.127 . . . . 0.0 110.169 179.749 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 22.8 t80 -64.13 -49.7 71.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.561 1.163 . . . . 0.0 111.433 -179.963 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.761 ' CD2' HG21 ' A' ' 34' ' ' VAL . 11.4 m-85 -67.52 -25.66 65.95 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.501 1.126 . . . . 0.0 111.233 -179.788 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 87.2 m -72.7 -30.51 64.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.153 0.908 . . . . 0.0 110.878 179.984 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 15.1 mt -87.97 -43.94 11.38 Favored 'General case' 0 N--CA 1.449 -0.493 0 N-CA-C 113.624 0.972 . . . . 0.0 113.624 -178.317 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 4.5 m80 -89.45 -48.23 7.47 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 113.748 1.018 . . . . 0.0 113.748 -176.849 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 42.3 m-85 -119.6 75.51 18.52 Favored Pre-proline 0 C--N 1.324 -0.511 0 N-CA-C 114.719 1.377 . . . . 0.0 114.719 -178.54 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 5.5 Cg_endo -72.61 0.83 7.0 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 123.82 1.432 . . . . 0.0 113.184 179.763 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 6.3 pm0 -117.5 21.57 12.95 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.267 0.979 . . . . 0.0 110.678 179.876 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . 0.255 1.1 m-30 -123.02 115.52 22.01 Favored 'General case' 0 N--CA 1.447 -0.575 0 CA-C-N 115.018 -0.992 . . . . 0.0 109.922 179.816 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 85.9 m-20 -86.92 104.41 16.22 Favored 'General case' 0 C--N 1.323 -0.578 0 O-C-N 124.407 1.067 . . . . 0.0 108.236 178.233 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.761 HG21 ' CD2' ' A' ' 25' ' ' PHE . 3.4 t -85.57 151.16 3.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.515 1.134 . . . . 0.0 110.589 -179.05 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 34.6 m-85 -136.62 119.76 16.61 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 114.85 -1.068 . . . . 0.0 110.434 179.537 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.785 ' CE1' HG13 ' A' ' 18' ' ' VAL . 55.5 m-85 -92.09 138.3 31.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.261 0.975 . . . . 0.0 111.543 -179.707 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.437 HD23 ' O ' ' A' ' 36' ' ' PHE . 0.8 OUTLIER -143.78 155.09 59.74 Favored Pre-proline 0 C--N 1.326 -0.427 0 O-C-N 124.354 1.034 . . . . 0.0 109.079 179.861 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.359 1.122 0 O-C-N 124.54 1.811 . . . . 0.0 110.963 -179.638 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 10.4 m-30 . . . . . 0 CA--C 1.534 0.334 0 N-CA-C 111.404 0.15 . . . . 0.0 111.404 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -92.09 -9.15 43.69 Favored 'General case' 0 N--CA 1.449 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 112.152 -179.453 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 1.7 ttp180 -114.7 125.5 53.8 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 123.989 0.805 . . . . 0.0 110.915 -178.938 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.615 HG22 HG13 ' A' ' 69' ' ' VAL . 0.3 OUTLIER -120.3 117.42 53.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 O-C-N 124.368 1.043 . . . . 0.0 110.175 179.956 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 12.0 mtp85 -87.88 135.75 33.26 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 114.977 -1.01 . . . . 0.0 110.796 179.655 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.433 HG11 ' CE1' ' A' ' 36' ' ' PHE . 74.6 t -123.19 150.72 27.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.209 0.943 . . . . 0.0 109.605 -179.868 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 56.5 m-85 -125.15 139.18 53.99 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.458 1.099 . . . . 0.0 111.121 179.817 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 36.2 p90 -143.62 159.75 41.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 0.0 110.438 179.763 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -66.88 142.86 97.69 Favored Pre-proline 0 C--N 1.327 -0.378 0 O-C-N 124.563 1.164 . . . . 0.0 109.691 -179.274 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_endo -81.08 10.24 3.49 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.296 1.682 . . . . 0.0 112.535 -179.89 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -111.94 -85.54 1.52 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.246 0.966 . . . . 0.0 112.317 -179.55 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 10.2 t -77.21 -13.08 60.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.332 0.666 . . . . 0.0 112.211 -179.249 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 4.6 m120 70.47 73.62 0.21 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.418 1.074 . . . . 0.0 108.891 -179.554 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.731 HG22 HG22 ' A' ' 17' ' ' THR . 9.5 t -141.33 134.45 30.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.655 1.222 . . . . 0.0 110.13 -179.616 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 38.1 t -69.95 121.87 20.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.37 1.044 . . . . 0.0 109.032 179.333 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.403 ' ND2' ' CE1' ' A' ' 65' ' ' HIS . 1.5 p30 -135.35 27.54 3.43 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.604 1.19 . . . . 0.0 109.071 179.813 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 0.403 ' CE1' ' ND2' ' A' ' 64' ' ' ASN . 30.9 m80 -143.66 124.53 14.28 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 114.794 -1.094 . . . . 0.0 108.878 179.45 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 85.5 t -53.13 109.65 1.59 Allowed Pre-proline 0 C--N 1.323 -0.577 0 O-C-N 125.041 1.463 . . . . 0.0 109.327 -179.973 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 28.6 Cg_endo -77.44 145.49 23.76 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.473 1.775 . . . . 0.0 110.696 -179.628 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.482 ' N ' ' CD2' ' A' ' 68' ' ' HIS . 0.4 OUTLIER -148.94 163.19 38.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.373 1.046 . . . . 0.0 109.697 -179.636 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.615 HG13 HG22 ' A' ' 52' ' ' VAL . 1.7 t . . . . . 0 C--N 1.326 -0.441 0 O-C-N 124.606 1.191 . . . . 0.0 108.878 179.468 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 57.3 m . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -136.27 76.67 49.89 Favored Pre-proline 0 C--N 1.326 -0.425 0 O-C-N 124.516 1.135 . . . . 0.0 111.126 179.886 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 10.4 Cg_endo -67.65 -17.62 48.0 Favored 'Trans proline' 0 C--N 1.365 1.414 0 O-C-N 124.038 1.546 . . . . 0.0 112.429 -179.13 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -78.15 5.85 9.27 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.16 0.913 . . . . 0.0 112.543 -179.344 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 11.0 t -103.16 38.49 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.004 0.815 . . . . 0.0 109.697 -179.748 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 53.6 t -102.24 134.65 42.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.426 1.079 . . . . 0.0 109.127 179.832 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 99.83 -25.55 27.84 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.461 1.101 . . . . 0.0 110.702 -179.758 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.417 ' HG2' ' HG3' ' A' ' 20' ' ' GLN . 3.3 mptt -72.05 164.55 25.95 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 179.773 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.52 HG23 ' HB2' ' A' ' 20' ' ' GLN . 0.5 OUTLIER -108.71 168.48 9.31 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.405 1.065 . . . . 0.0 110.018 -179.466 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.495 HG13 ' CE1' ' A' ' 36' ' ' PHE . 21.3 t -45.91 -59.8 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.519 0 O-C-N 124.014 0.821 . . . . 0.0 112.532 -179.502 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -56.44 -35.86 68.34 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.008 0.817 . . . . 0.0 110.534 -179.208 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.52 ' HB2' HG23 ' A' ' 17' ' ' THR . 0.0 OUTLIER -63.5 -52.4 61.43 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.284 0.99 . . . . 0.0 110.198 -179.832 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.91 -2.41 15.01 Favored 'General case' 0 N--CA 1.452 -0.351 0 O-C-N 124.589 1.181 . . . . 0.0 113.253 -179.634 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.3 tpm_? -82.91 -46.42 12.98 Favored 'General case' 0 C--N 1.321 -0.657 0 O-C-N 124.631 1.207 . . . . 0.0 109.627 179.752 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -69.86 -27.5 64.89 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 114.668 -1.151 . . . . 0.0 110.105 179.691 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.408 ' C ' ' CD1' ' A' ' 24' ' ' TYR . 7.7 t80 -65.07 -51.74 59.69 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.547 1.154 . . . . 0.0 111.004 179.993 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.418 ' CD2' HG21 ' A' ' 34' ' ' VAL . 13.9 m-85 -67.8 -36.59 80.7 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.647 1.217 . . . . 0.0 110.888 -179.938 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 18.4 m -57.01 -30.73 64.43 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.186 0.929 . . . . 0.0 110.977 179.856 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 26.4 mt -86.31 -49.14 7.89 Favored 'General case' 0 C--O 1.238 0.494 0 N-CA-C 114.713 1.375 . . . . 0.0 114.713 -177.798 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 4.9 m170 -92.4 -52.37 4.7 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 114.08 1.141 . . . . 0.0 114.08 -177.48 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.445 ' HB3' ' CD2' ' A' ' 32' ' ' TYR . 49.7 m-85 -118.31 53.15 1.68 Allowed Pre-proline 0 N--CA 1.45 -0.44 0 N-CA-C 114.82 1.415 . . . . 0.0 114.82 -178.187 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 20.0 Cg_endo -67.29 -8.02 20.76 Favored 'Trans proline' 0 C--N 1.358 1.078 0 O-C-N 123.913 1.48 . . . . 0.0 112.536 179.744 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.422 ' NE2' ' HA ' ' A' ' 29' ' ' TYR . 0.0 OUTLIER -96.28 26.32 4.37 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.167 0.917 . . . . 0.0 113.124 -179.03 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.445 ' CD2' ' HB3' ' A' ' 29' ' ' TYR . 0.4 OUTLIER -124.32 142.63 51.11 Favored 'General case' 0 CA--C 1.545 0.769 0 O-C-N 124.036 0.835 . . . . 0.0 108.948 179.597 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -86.4 97.43 10.45 Favored 'General case' 0 C--N 1.323 -0.578 0 O-C-N 124.922 1.389 . . . . 0.0 108.015 177.941 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.418 HG21 ' CD2' ' A' ' 25' ' ' PHE . 2.2 t -85.31 141.92 13.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.695 1.247 . . . . 0.0 111.204 -178.938 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.509 ' CE2' ' HD3' ' A' ' 51' ' ' ARG . 2.3 m-30 -117.16 154.02 31.81 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 114.936 -1.029 . . . . 0.0 110.431 179.156 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.495 ' CE1' HG13 ' A' ' 18' ' ' VAL . 4.5 m-85 -135.06 106.11 6.65 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.709 1.256 . . . . 0.0 110.759 179.717 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.486 ' CB ' ' CD ' ' A' ' 38' ' ' PRO . 0.0 OUTLIER -146.0 179.77 1.1 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.36 1.038 . . . . 0.0 109.081 -179.898 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.486 ' CD ' ' CB ' ' A' ' 37' ' ' LEU . 9.4 Cg_endo . . . . . 0 C--N 1.359 1.082 0 O-C-N 124.555 1.818 . . . . 0.0 110.75 179.529 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 57.2 m-85 . . . . . 0 CA--C 1.538 0.512 0 N-CA-C 114.123 1.157 . . . . 0.0 114.123 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 46.6 p-10 -93.45 -9.43 38.55 Favored 'General case' 0 C--N 1.323 -0.565 0 O-C-N 124.701 1.251 . . . . 0.0 112.422 -178.423 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.509 ' HD3' ' CE2' ' A' ' 35' ' ' TYR . 12.3 ttm180 -94.36 122.35 36.83 Favored 'General case' 0 C--N 1.323 -0.584 0 O-C-N 124.024 0.827 . . . . 0.0 110.318 -179.278 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.588 HG22 HG22 ' A' ' 69' ' ' VAL . 48.5 t -104.19 119.8 53.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 O-C-N 124.335 1.022 . . . . 0.0 110.088 -179.94 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 25.8 mtm-85 -88.72 120.62 30.28 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.121 -0.945 . . . . 0.0 111.197 179.807 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 10.8 t -113.1 144.99 19.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.267 0.98 . . . . 0.0 109.182 179.959 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.433 ' HB2' ' HB2' ' A' ' 65' ' ' HIS . 21.0 m-85 -123.68 140.86 52.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.552 1.157 . . . . 0.0 111.242 -179.819 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 11.3 p90 -146.48 169.56 18.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 110.405 -179.962 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.414 ' ND2' ' HD2' ' A' ' 58' ' ' PRO . 7.0 t-20 -94.14 137.77 22.79 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.212 0.945 . . . . 0.0 110.239 -179.34 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.414 ' HD2' ' ND2' ' A' ' 57' ' ' ASN . 26.5 Cg_endo -79.1 -17.21 11.99 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.307 1.688 . . . . 0.0 111.71 179.511 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -51.53 -28.09 20.24 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.356 1.035 . . . . 0.0 110.877 179.97 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.485 HG23 ' H ' ' A' ' 61' ' ' ASN . 0.0 OUTLIER -160.58 -72.12 0.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.424 0.72 . . . . 0.0 110.362 179.601 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.485 ' H ' HG23 ' A' ' 60' ' ' THR . 4.8 m-20 159.16 82.76 0.0 OUTLIER 'General case' 0 CA--C 1.543 0.698 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 178.219 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 40.3 t -142.41 158.67 19.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 O-C-N 124.582 1.176 . . . . 0.0 109.391 -179.686 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 55.9 t -101.5 117.86 47.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.365 1.041 . . . . 0.0 108.976 179.686 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -128.26 27.58 5.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.816 1.322 . . . . 0.0 109.427 -179.819 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 0.433 ' HB2' ' HB2' ' A' ' 55' ' ' PHE . 93.0 m-70 -148.51 125.2 11.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.412 179.793 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 78.3 t -53.29 109.67 1.61 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.621 1.2 . . . . 0.0 109.444 -179.993 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_endo -80.76 115.95 3.13 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.508 1.794 . . . . 0.0 110.748 179.669 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 7.2 p-80 -130.15 162.62 28.44 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.277 0.986 . . . . 0.0 110.168 -179.901 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.588 HG22 HG22 ' A' ' 52' ' ' VAL . 37.1 t . . . . . 0 C--N 1.326 -0.414 0 O-C-N 124.441 1.088 . . . . 0.0 109.138 179.892 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.423 ' C ' ' CD1' ' A' ' 10' ' ' PHE . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 . . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.423 ' CD1' ' C ' ' A' ' 9' ' ' SER . 0.5 OUTLIER -129.73 76.25 78.66 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.6 1.188 . . . . 0.0 111.456 179.986 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.408 ' HA ' HG13 ' A' ' 66' ' ' VAL . 11.8 Cg_endo -67.29 -44.04 5.34 Favored 'Trans proline' 0 C--N 1.367 1.511 0 O-C-N 123.701 1.369 . . . . 0.0 113.566 -178.822 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.33 -15.37 47.77 Favored 'General case' 0 N--CA 1.448 -0.544 0 O-C-N 124.33 1.019 . . . . 0.0 110.778 -179.759 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.544 HG13 ' HE3' ' A' ' 16' ' ' LYS . 17.3 t -90.88 45.96 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.377 1.048 . . . . 0.0 110.018 -179.552 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.764 HG21 HG22 ' A' ' 66' ' ' VAL . 99.0 t -127.9 145.85 34.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.352 1.033 . . . . 0.0 108.87 179.576 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 99.34 -21.54 45.03 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.402 1.064 . . . . 0.0 110.901 -179.485 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.544 ' HE3' HG13 ' A' ' 13' ' ' VAL . 2.9 mttt -73.01 -157.79 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.251 -1.018 . . . . 0.0 108.251 179.71 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -131.42 161.05 33.36 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.434 1.084 . . . . 0.0 110.172 179.712 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.616 HG22 ' CD1' ' A' ' 36' ' ' PHE . 44.1 t -47.61 -48.87 10.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.547 1.154 . . . . 0.0 112.369 -179.388 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -54.95 -42.09 71.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.064 0.852 . . . . 0.0 112.669 -178.593 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 20.6 mm-40 -62.16 -55.04 32.63 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.321 1.013 . . . . 0.0 109.799 -179.769 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.43 -0.34 12.28 Favored 'General case' 0 C--N 1.327 -0.374 0 O-C-N 124.783 1.302 . . . . 0.0 113.282 -179.344 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.443 ' HD3' ' HA ' ' A' ' 22' ' ' ARG . 19.9 tpp85 -82.4 -46.66 13.23 Favored 'General case' 0 C--N 1.322 -0.592 0 O-C-N 124.522 1.139 . . . . 0.0 109.608 -179.981 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -75.38 -25.39 57.62 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 114.688 -1.142 . . . . 0.0 110.733 -179.89 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 59.0 t80 -75.45 -49.29 19.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.404 1.065 . . . . 0.0 112.721 -179.259 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 11.2 m-30 -71.85 -21.33 61.69 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.345 1.028 . . . . 0.0 111.633 -179.432 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 4.3 m -78.74 -34.89 45.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.366 1.041 . . . . 0.0 112.428 -179.288 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.406 HD23 ' HA ' ' A' ' 27' ' ' LEU . 17.2 mt -89.81 -46.99 8.19 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 113.637 0.977 . . . . 0.0 113.637 -178.26 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.516 ' HB2' ' CD1' ' A' ' 29' ' ' TYR . 16.9 m80 -86.67 -33.7 19.99 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.134 0.896 . . . . 0.0 113.009 -177.887 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.516 ' CD1' ' HB2' ' A' ' 28' ' ' HIS . 11.9 m-85 -119.27 52.48 1.91 Allowed Pre-proline 0 C--N 1.323 -0.548 0 N-CA-C 113.709 1.003 . . . . 0.0 113.709 -178.865 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.412 ' CD ' ' N ' ' A' ' 29' ' ' TYR . 19.7 Cg_endo -65.92 -21.17 57.53 Favored 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 123.997 1.525 . . . . 0.0 114.003 -178.997 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 8.4 pm0 -89.98 15.2 10.45 Favored 'General case' 0 N--CA 1.451 -0.416 0 O-C-N 124.021 0.825 . . . . 0.0 112.67 -178.838 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.504 ' CE2' HG21 ' A' ' 69' ' ' VAL 0.256 1.1 m-30 -123.12 132.67 54.17 Favored 'General case' 0 C--N 1.322 -0.599 0 O-C-N 124.223 0.952 . . . . 0.0 109.747 179.682 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 -88.38 96.06 10.44 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.456 1.098 . . . . 0.0 108.369 178.466 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.567 HG22 ' HB ' ' A' ' 52' ' ' VAL . 2.7 t -85.84 149.35 4.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.604 1.19 . . . . 0.0 110.504 -179.303 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.514 ' CE2' ' HD3' ' A' ' 51' ' ' ARG . 4.4 m-30 -134.34 156.96 47.56 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 115.009 -0.996 . . . . 0.0 109.991 179.181 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.616 ' CD1' HG22 ' A' ' 18' ' ' VAL . 34.3 m-85 -136.71 99.77 4.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.913 1.383 . . . . 0.0 110.706 179.794 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.426 ' HB3' ' HD2' ' A' ' 38' ' ' PRO . 0.3 OUTLIER -123.51 168.61 12.0 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 109.089 -179.911 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.426 ' HD2' ' HB3' ' A' ' 37' ' ' LEU . 22.9 Cg_endo . . . . . 0 C--N 1.359 1.111 0 O-C-N 124.458 1.767 . . . . 0.0 111.566 -179.493 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 81.2 m-85 . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 113.359 0.874 . . . . 0.0 113.359 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.4 p-10 -89.18 -9.71 49.85 Favored 'General case' 0 C--N 1.323 -0.56 0 O-C-N 124.572 1.17 . . . . 0.0 111.909 179.676 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.514 ' HD3' ' CE2' ' A' ' 35' ' ' TYR . 6.5 ttm180 -110.32 125.41 53.14 Favored 'General case' 0 C--N 1.321 -0.634 0 O-C-N 124.058 0.849 . . . . 0.0 109.84 -179.276 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 1.002 HG22 HG22 ' A' ' 69' ' ' VAL . 40.1 t -101.32 143.93 13.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.473 1.108 . . . . 0.0 109.544 179.95 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 3.2 mtt180 -118.18 97.04 5.59 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.386 1.054 . . . . 0.0 109.677 179.696 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.466 HG13 ' HB3' ' A' ' 67' ' ' PRO . 15.8 t -91.72 140.59 15.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.753 1.283 . . . . 0.0 109.358 -179.864 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.409 ' HB2' ' HB2' ' A' ' 65' ' ' HIS . 21.6 m-30 -117.86 139.04 51.66 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.604 1.19 . . . . 0.0 110.763 179.745 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 18.6 p90 -148.33 166.07 29.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 110.642 -179.769 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.404 ' HA ' ' HD3' ' A' ' 58' ' ' PRO . 3.9 t-20 -101.92 126.5 33.63 Favored Pre-proline 0 C--N 1.324 -0.503 0 CA-C-N 114.91 -1.041 . . . . 0.0 108.758 179.891 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 57' ' ' ASN . 4.1 Cg_exo -65.11 -15.6 51.1 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.563 1.823 . . . . 0.0 111.865 -179.596 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -51.36 -56.91 12.95 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.285 0.991 . . . . 0.0 111.624 -179.786 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.403 HG23 ' CG2' ' A' ' 62' ' ' VAL . 9.3 t -134.27 25.45 3.84 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.533 0.784 . . . . 0.0 110.245 -179.694 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 46.58 43.35 12.35 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 115.375 -0.83 . . . . 0.0 111.27 179.633 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.403 ' CG2' HG23 ' A' ' 60' ' ' THR . 7.1 t -110.53 143.67 20.06 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.356 0 CA-C-N 114.802 -1.09 . . . . 0.0 110.523 179.965 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 94.2 t -85.38 142.63 12.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 114.748 -1.114 . . . . 0.0 109.638 179.935 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -143.57 25.36 1.67 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.134 . . . . 0.0 110.042 -179.984 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 0.409 ' HB2' ' HB2' ' A' ' 55' ' ' PHE . 97.8 m-70 -148.31 124.58 10.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.371 1.044 . . . . 0.0 109.506 179.755 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.764 HG22 HG21 ' A' ' 14' ' ' VAL . 60.3 t -56.46 110.72 2.55 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.514 1.134 . . . . 0.0 109.912 -179.928 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.466 ' HB3' HG13 ' A' ' 54' ' ' VAL . 41.1 Cg_endo -82.47 86.28 1.53 Allowed 'Trans proline' 0 C--N 1.358 1.069 0 O-C-N 124.455 1.766 . . . . 0.0 110.681 179.439 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -90.23 162.26 15.31 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.305 1.003 . . . . 0.0 109.973 -179.838 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 1.002 HG22 HG22 ' A' ' 52' ' ' VAL . 1.5 t . . . . . 0 C--N 1.326 -0.445 0 O-C-N 124.518 1.136 . . . . 0.0 109.384 179.957 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 94.9 p . . . . . 0 N--CA 1.453 -0.276 0 CA-C-O 120.613 0.244 . . . . 0.0 110.363 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -123.0 99.74 40.76 Favored Pre-proline 0 C--N 1.327 -0.411 0 O-C-N 124.382 1.052 . . . . 0.0 110.934 179.636 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_endo -76.97 1.22 8.88 Favored 'Trans proline' 0 C--N 1.364 1.358 0 O-C-N 124.143 1.602 . . . . 0.0 112.863 -179.599 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -71.2 -22.08 62.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.094 0.871 . . . . 0.0 110.926 -179.749 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.441 HG21 ' HB2' ' A' ' 21' ' ' ALA . 10.8 p -106.64 42.79 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.441 1.088 . . . . 0.0 110.052 -179.666 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.459 HG21 HG22 ' A' ' 66' ' ' VAL . 5.0 t -106.03 113.16 42.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 109.101 179.603 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 116.4 -19.2 13.14 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.467 1.104 . . . . 0.0 111.151 -179.393 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.467 ' O ' HG13 ' A' ' 62' ' ' VAL . 0.7 OUTLIER -73.68 -158.83 0.06 Allowed 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 179.903 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -131.62 165.95 22.52 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.458 1.099 . . . . 0.0 109.775 179.945 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.432 HG22 ' CD1' ' A' ' 36' ' ' PHE . 35.8 t -47.48 -48.29 10.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 123.974 0.796 . . . . 0.0 112.522 -179.443 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -54.44 -41.72 69.73 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 113.015 0.746 . . . . 0.0 113.015 -178.444 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 26.3 mm-40 -63.74 -51.32 65.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.152 0.908 . . . . 0.0 110.346 -179.44 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.441 ' HB2' HG21 ' A' ' 13' ' ' VAL . . . -68.67 -4.36 15.35 Favored 'General case' 0 N--CA 1.453 -0.306 0 O-C-N 124.685 1.24 . . . . 0.0 113.302 -179.34 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.425 HH11 ' HD2' ' A' ' 22' ' ' ARG . 5.6 tpp85 -83.1 -46.49 12.72 Favored 'General case' 0 C--N 1.321 -0.631 0 O-C-N 124.782 1.301 . . . . 0.0 109.426 179.82 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -75.08 -30.81 61.04 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 114.811 -1.086 . . . . 0.0 111.228 -179.73 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 18.0 t80 -67.94 -48.72 65.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.313 1.008 . . . . 0.0 111.977 -179.545 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 18.4 m-85 -73.04 -18.3 61.34 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.564 1.165 . . . . 0.0 111.641 -179.596 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.4 m -74.23 -34.48 63.68 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.211 0.945 . . . . 0.0 110.995 179.809 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 16.5 mt -86.9 -44.93 11.29 Favored 'General case' 0 N--CA 1.448 -0.535 0 N-CA-C 114.516 1.302 . . . . 0.0 114.516 -178.051 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 6.1 m170 -80.93 -42.39 21.41 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.083 0.864 . . . . 0.0 112.329 -178.722 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 47.4 m-85 -120.45 75.29 24.6 Favored Pre-proline 0 C--N 1.323 -0.561 0 N-CA-C 114.278 1.214 . . . . 0.0 114.278 -178.883 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_endo -81.4 11.29 3.11 Favored 'Trans proline' 0 C--N 1.358 1.064 0 O-C-N 123.792 1.417 . . . . 0.0 112.734 179.561 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -127.85 22.49 6.28 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.311 1.007 . . . . 0.0 110.692 -179.552 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.411 ' CD1' HG23 ' A' ' 52' ' ' VAL 0.253 4.0 m-85 -125.25 128.73 48.75 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.036 -0.984 . . . . 0.0 110.56 -179.392 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -90.4 98.94 12.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.296 0.997 . . . . 0.0 108.358 178.533 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 4.2 t -85.02 151.1 3.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 O-C-N 124.539 1.15 . . . . 0.0 111.196 -179.084 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -131.0 147.74 52.67 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 114.896 -1.047 . . . . 0.0 110.726 179.352 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.432 ' CD1' HG22 ' A' ' 18' ' ' VAL . 16.2 m-85 -129.2 121.58 27.96 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.588 1.18 . . . . 0.0 110.927 -179.957 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -146.05 170.51 7.81 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.264 0.977 . . . . 0.0 109.076 179.916 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 20.3 Cg_endo . . . . . 0 C--N 1.36 1.162 0 O-C-N 124.534 1.808 . . . . 0.0 110.804 179.834 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 15.1 m-30 . . . . . 0 CA--C 1.534 0.339 0 CA-C-O 120.476 0.179 . . . . 0.0 110.619 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -92.0 -26.73 18.23 Favored 'General case' 0 C--O 1.238 0.454 0 O-C-N 124.605 1.191 . . . . 0.0 113.864 -178.54 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.411 ' HD3' ' NH1' ' A' ' 53' ' ' ARG . 7.1 ttm180 -101.51 130.53 47.79 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 123.801 0.688 . . . . 0.0 110.809 -179.246 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 1.04 ' CG2' HG22 ' A' ' 69' ' ' VAL . 37.7 t -116.55 146.77 20.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.562 1.164 . . . . 0.0 108.906 179.443 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.411 ' NH1' ' HD3' ' A' ' 51' ' ' ARG . 3.0 mtt85 -117.23 138.96 51.37 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.63 1.206 . . . . 0.0 110.018 -179.975 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.467 HG13 ' HB3' ' A' ' 67' ' ' PRO . 40.9 t -128.37 151.32 35.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.617 1.198 . . . . 0.0 109.12 -179.896 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.443 ' O ' HG13 ' A' ' 63' ' ' VAL . 20.4 m-85 -123.89 138.36 54.5 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.638 1.211 . . . . 0.0 110.869 179.763 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 3.2 p90 -143.4 164.23 30.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.619 1.199 . . . . 0.0 110.876 179.64 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -86.82 112.78 49.51 Favored Pre-proline 0 C--N 1.323 -0.55 0 N-CA-C 107.808 -1.182 . . . . 0.0 107.808 179.287 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 8.5 Cg_endo -54.16 -15.1 7.32 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.342 1.706 . . . . 0.0 113.652 -178.763 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -75.68 -71.12 1.19 Allowed Glycine 0 CA--C 1.527 0.806 0 N-CA-C 115.948 1.139 . . . . 0.0 115.948 -178.549 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.418 HG23 ' CG2' ' A' ' 62' ' ' VAL . 13.9 t -101.04 16.53 25.07 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 112.224 0.453 . . . . 0.0 112.224 -178.66 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 50.88 46.37 26.26 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 115.421 -0.809 . . . . 0.0 111.399 178.815 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.467 HG13 ' O ' ' A' ' 16' ' ' LYS . 40.2 t -118.34 134.84 60.67 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.459 0 O-C-N 124.281 0.988 . . . . 0.0 112.043 -179.982 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.443 HG13 ' O ' ' A' ' 55' ' ' PHE . 9.4 t -75.9 113.13 14.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 114.726 -1.125 . . . . 0.0 109.053 179.087 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 20.8 p30 -106.22 -18.18 14.08 Favored 'General case' 0 N--CA 1.449 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 111.682 -179.324 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 0.432 ' HB2' ' HB2' ' A' ' 55' ' ' PHE . 3.9 m-70 -110.44 147.48 33.96 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.131 0.894 . . . . 0.0 110.753 -179.67 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.459 HG22 HG21 ' A' ' 14' ' ' VAL . 3.4 t -73.2 117.31 59.09 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.361 1.038 . . . . 0.0 109.069 179.72 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.467 ' HB3' HG13 ' A' ' 54' ' ' VAL . 21.8 Cg_endo -69.8 151.73 68.92 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.536 1.808 . . . . 0.0 110.788 -179.724 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.447 ' O ' HG13 ' A' ' 52' ' ' VAL . 1.7 p-80 -144.03 163.31 33.87 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.614 1.196 . . . . 0.0 109.753 -179.819 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 1.04 HG22 ' CG2' ' A' ' 52' ' ' VAL . 17.5 t . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.569 1.168 . . . . 0.0 108.967 179.423 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 29.8 p . . . . . 0 CA--C 1.53 0.173 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -134.96 45.22 2.55 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.311 1.007 . . . . 0.0 110.303 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 14.1 m-85 -120.26 -30.89 4.51 Favored 'General case' 0 N--CA 1.45 -0.428 0 O-C-N 124.574 1.171 . . . . 0.0 111.973 -179.731 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 77.82 7.98 87.32 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.356 1.035 . . . . 0.0 112.817 -179.712 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.2 t 52.36 -106.85 0.3 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.156 0.563 . . . . 0.0 110.517 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -156.23 153.35 29.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 123.787 0.679 . . . . 0.0 110.703 -179.732 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER 61.96 95.41 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.425 1.078 . . . . 0.0 111.22 179.088 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 12.2 mttt -72.33 105.1 3.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.365 1.041 . . . . 0.0 108.936 179.548 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.9 p -89.6 161.48 16.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 110.382 -179.727 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.427 ' HB3' ' HB ' ' A' ' 13' ' ' VAL . 9.6 m-85 -128.54 86.37 57.89 Favored Pre-proline 0 N--CA 1.451 -0.411 0 O-C-N 124.398 1.061 . . . . 0.0 111.53 179.777 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 4.4 Cg_exo -61.81 -56.79 0.67 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.391 1.732 . . . . 0.0 111.579 -179.34 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.9 tm-20 -51.47 -22.15 2.89 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.106 -0.952 . . . . 0.0 111.108 -179.646 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.427 ' HB ' ' HB3' ' A' ' 10' ' ' PHE . 6.1 t -98.32 49.32 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.094 . . . . 0.0 110.067 -179.808 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.584 HG21 HG22 ' A' ' 66' ' ' VAL . 46.9 t -134.47 110.76 13.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.422 1.076 . . . . 0.0 109.73 179.786 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 125.52 -19.69 6.64 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.444 1.09 . . . . 0.0 111.801 179.753 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 8.2 mttt -78.37 161.39 27.2 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.492 0.76 . . . . 0.0 109.226 -179.169 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.666 HG22 HG22 ' A' ' 62' ' ' VAL . 29.4 p -89.56 163.36 15.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 123.988 0.805 . . . . 0.0 110.782 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 12.9 t -48.1 -57.97 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 O-C-N 124.293 0.995 . . . . 0.0 111.918 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -54.81 -37.75 66.51 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.233 -0.894 . . . . 0.0 111.174 -178.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 7.3 mm100 -62.7 -54.56 37.48 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.543 1.152 . . . . 0.0 109.842 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.09 -0.41 13.94 Favored 'General case' 0 C--N 1.328 -0.358 0 O-C-N 124.753 1.283 . . . . 0.0 113.018 -179.687 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.1 ttm180 -81.63 -47.67 12.72 Favored 'General case' 0 C--N 1.322 -0.624 0 O-C-N 124.558 1.161 . . . . 0.0 109.737 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -76.65 -24.62 53.27 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 114.786 -1.097 . . . . 0.0 110.145 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 27.1 t80 -65.52 -49.9 67.25 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.429 1.08 . . . . 0.0 111.506 -179.628 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.612 ' CD2' HG21 ' A' ' 34' ' ' VAL . 3.4 m-85 -72.45 -23.79 61.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 111.05 -179.821 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 22.0 m -75.19 -31.75 61.04 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.228 0.955 . . . . 0.0 111.685 -179.706 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 17.0 mt -87.86 -45.08 10.59 Favored 'General case' 0 N--CA 1.45 -0.438 0 N-CA-C 113.841 1.052 . . . . 0.0 113.841 -178.224 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 29.8 m170 -84.58 -42.81 15.08 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.103 0.877 . . . . 0.0 113.267 -178.208 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 37.9 m-85 -121.48 73.51 30.58 Favored Pre-proline 0 C--N 1.323 -0.566 0 N-CA-C 114.878 1.436 . . . . 0.0 114.878 -178.374 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 6.6 Cg_endo -72.63 0.86 6.97 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 123.714 1.376 . . . . 0.0 113.343 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -116.09 21.21 13.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.296 0.997 . . . . 0.0 110.741 179.626 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . 0.26 1.8 m-85 -124.44 118.27 26.28 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.035 -0.984 . . . . 0.0 109.959 179.848 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -85.3 90.63 7.96 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.378 1.049 . . . . 0.0 108.328 178.164 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.615 HG22 ' HB ' ' A' ' 52' ' ' VAL . 2.6 t -85.68 150.79 3.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 114.62 -1.173 . . . . 0.0 110.161 -179.302 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 54.3 m-85 -127.05 154.11 45.09 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.265 0.978 . . . . 0.0 110.733 179.308 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.482 ' O ' HD23 ' A' ' 37' ' ' LEU . 41.9 m-85 -140.25 97.34 3.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.105 . . . . 0.0 111.143 -179.699 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.674 HD12 ' NH2' ' A' ' 53' ' ' ARG . 54.8 mt -133.29 161.0 66.42 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.418 1.074 . . . . 0.0 109.184 179.802 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.412 ' HD2' ' HB3' ' A' ' 37' ' ' LEU . 3.1 Cg_exo -63.4 157.3 51.23 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.613 1.849 . . . . 0.0 110.82 -179.485 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.51 ' HB3' ' CE1' ' A' ' 65' ' ' HIS . 6.8 pt-20 -59.98 158.15 11.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 110.649 -179.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 69.35 3.54 39.56 Favored Glycine 0 CA--C 1.528 0.903 0 O-C-N 124.414 1.072 . . . . 0.0 113.21 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.451 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 0.5 OUTLIER -87.79 -51.59 0.41 Allowed Pre-proline 0 C--O 1.236 0.351 0 O-C-N 124.244 0.614 . . . . 0.0 112.323 178.397 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.507 ' HG2' ' CE1' ' A' ' 55' ' ' PHE . 14.0 Cg_endo -74.33 157.24 45.73 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 123.965 1.508 . . . . 0.0 111.426 -179.497 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.543 HG13 ' N ' ' A' ' 44' ' ' THR . 1.0 OUTLIER -114.79 -158.37 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.436 1.085 . . . . 0.0 109.092 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.543 ' N ' HG13 ' A' ' 43' ' ' VAL . 2.1 p -79.65 97.11 6.41 Favored 'General case' 0 N--CA 1.45 -0.446 0 O-C-N 125.233 1.583 . . . . 0.0 110.577 178.684 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.572 HD13 ' NH1' ' A' ' 51' ' ' ARG . 11.8 mt -123.63 77.77 1.54 Allowed 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 108.609 -0.886 . . . . 0.0 108.609 179.704 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -93.11 -174.18 3.48 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 114.477 -1.238 . . . . 0.0 110.915 -178.589 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 55.32 49.25 17.44 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.075 -0.966 . . . . 0.0 111.513 178.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.402 ' HA ' ' HD3' ' A' ' 48' ' ' ARG . 18.8 mmt-85 -133.84 105.17 6.64 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 114.875 -1.057 . . . . 0.0 108.925 179.12 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 12.9 m-30 -82.45 -30.71 29.84 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.823 1.327 . . . . 0.0 111.948 -179.173 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -101.54 -12.76 18.25 Favored 'General case' 0 N--CA 1.447 -0.592 0 N-CA-C 115.047 1.499 . . . . 0.0 115.047 -177.809 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.572 ' NH1' HD13 ' A' ' 45' ' ' LEU . 3.1 ttm180 -106.86 120.32 41.71 Favored 'General case' 0 C--N 1.323 -0.583 0 O-C-N 123.843 0.715 . . . . 0.0 111.985 -178.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.615 ' HB ' HG22 ' A' ' 34' ' ' VAL . 0.5 OUTLIER -113.36 137.81 45.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.266 0.979 . . . . 0.0 108.755 179.086 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.674 ' NH2' HD12 ' A' ' 37' ' ' LEU . 0.3 OUTLIER -115.94 106.19 13.51 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.682 1.239 . . . . 0.0 109.719 179.748 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 1.02 HG13 ' HB3' ' A' ' 67' ' ' PRO . 9.5 t -97.76 151.17 4.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.495 1.122 . . . . 0.0 109.578 -179.757 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.507 ' CE1' ' HG2' ' A' ' 42' ' ' PRO . 5.5 m-85 -123.36 137.69 54.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.632 1.207 . . . . 0.0 110.522 179.513 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 16.0 p90 -132.65 166.2 22.71 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.664 1.228 . . . . 0.0 110.496 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.413 ' ND2' ' HD2' ' A' ' 58' ' ' PRO . 10.5 t-20 -98.51 130.41 28.14 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 0.0 110.042 -179.403 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.413 ' HD2' ' ND2' ' A' ' 57' ' ' ASN . 19.1 Cg_endo -76.01 4.09 5.56 Favored 'Trans proline' 0 C--N 1.362 1.241 0 O-C-N 124.492 1.785 . . . . 0.0 112.689 179.531 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -77.67 -59.85 2.93 Favored Glycine 0 CA--C 1.532 1.118 0 N-CA-C 110.727 -0.949 . . . . 0.0 110.727 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.41 HG23 HG23 ' A' ' 62' ' ' VAL . 11.1 t -126.42 22.34 7.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.58 0.812 . . . . 0.0 110.672 179.809 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 8.0 m-20 50.99 37.88 18.9 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 115.116 -0.947 . . . . 0.0 111.924 178.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.666 HG22 HG22 ' A' ' 17' ' ' THR . 25.1 t -109.78 146.2 15.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.287 0.992 . . . . 0.0 109.529 179.425 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.486 HG13 ' O ' ' A' ' 55' ' ' PHE . 48.8 t -88.27 107.15 17.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 114.783 -1.099 . . . . 0.0 109.195 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 20.7 p30 -102.6 -19.65 14.75 Favored 'General case' 0 N--CA 1.452 -0.361 0 O-C-N 124.456 1.098 . . . . 0.0 110.823 -179.753 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.51 ' CE1' ' HB3' ' A' ' 39' ' ' GLU . 12.0 m80 -93.9 132.7 38.08 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.192 0.933 . . . . 0.0 109.597 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.584 HG22 HG21 ' A' ' 14' ' ' VAL . 40.5 t -66.63 115.11 21.12 Favored Pre-proline 0 C--N 1.323 -0.561 0 O-C-N 124.661 1.226 . . . . 0.0 109.071 179.751 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 1.02 ' HB3' HG13 ' A' ' 54' ' ' VAL . 18.7 Cg_endo -73.92 135.89 21.98 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.479 1.778 . . . . 0.0 111.051 -179.607 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 9.1 p80 -139.96 160.98 38.7 Favored 'General case' 0 C--N 1.327 -0.377 0 O-C-N 124.53 1.144 . . . . 0.0 110.05 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.534 HG13 HG22 ' A' ' 52' ' ' VAL . 1.2 t -87.84 141.47 14.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.797 1.31 . . . . 0.0 108.821 179.288 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.092 0 O-C-N 124.356 1.035 . . . . 0.0 110.982 -179.801 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 39.4 p . . . . . 0 CA--C 1.53 0.177 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -114.96 24.33 11.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.306 1.003 . . . . 0.0 110.193 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -136.04 38.7 2.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 110.651 179.745 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -92.21 10.14 74.9 Favored Glycine 0 CA--C 1.529 0.933 0 CA-C-N 114.777 -1.101 . . . . 0.0 112.816 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.8 t -50.9 159.96 0.51 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.366 0.686 . . . . 0.0 110.43 -179.544 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 71.11 149.3 0.09 Allowed 'General case' 0 CA--C 1.536 0.419 0 O-C-N 124.536 1.147 . . . . 0.0 109.765 -179.394 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.699 HD22 ' H ' ' A' ' 7' ' ' LEU . 1.0 OUTLIER -65.03 -172.42 0.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.615 1.197 . . . . 0.0 109.267 -179.85 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.0 mptp? -59.0 120.43 9.09 Favored 'General case' 0 C--N 1.327 -0.394 0 O-C-N 124.501 1.126 . . . . 0.0 108.875 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 68.0 p -141.38 154.41 45.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.745 1.278 . . . . 0.0 110.268 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.446 ' CD1' ' N ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -129.28 100.88 19.68 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 110.85 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 13.3 Cg_endo -71.23 -9.85 26.17 Favored 'Trans proline' 0 C--N 1.363 1.294 0 O-C-N 124.277 1.672 . . . . 0.0 112.588 -179.194 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -71.64 -5.33 32.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.133 0.896 . . . . 0.0 112.415 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -118.95 35.66 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.051 0.844 . . . . 0.0 109.61 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.517 HG21 HG22 ' A' ' 66' ' ' VAL . 37.7 t -102.43 126.49 56.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.46 1.1 . . . . 0.0 109.327 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 105.2 -20.77 37.12 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.454 1.096 . . . . 0.0 110.957 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 23.0 mttm -78.97 161.09 26.89 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 -179.409 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.66 HG22 HG22 ' A' ' 62' ' ' VAL . 49.9 p -90.04 168.62 11.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.054 0.846 . . . . 0.0 110.21 179.829 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.751 HG13 ' CE2' ' A' ' 36' ' ' PHE . 42.3 t -48.09 -60.79 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.562 1.164 . . . . 0.0 111.781 -179.823 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -50.27 -36.92 33.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.213 0.946 . . . . 0.0 111.223 -179.11 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 17.2 mm-40 -65.02 -50.49 66.05 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.518 1.136 . . . . 0.0 110.155 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.77 -3.03 16.69 Favored 'General case' 0 C--N 1.328 -0.335 0 O-C-N 124.668 1.23 . . . . 0.0 112.944 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 18.1 tpp85 -82.88 -45.87 13.69 Favored 'General case' 0 C--N 1.321 -0.634 0 O-C-N 124.624 1.202 . . . . 0.0 109.612 179.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.8 mp0 -73.22 -31.99 64.5 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 114.794 -1.094 . . . . 0.0 111.228 -179.798 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 13.9 t80 -64.25 -49.69 70.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.443 1.089 . . . . 0.0 110.873 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 -73.83 -16.82 61.13 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.464 1.102 . . . . 0.0 111.652 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.3 m -76.59 -37.26 56.79 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.151 0.907 . . . . 0.0 111.292 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 10.9 mt -83.49 -44.62 14.51 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 113.663 0.986 . . . . 0.0 113.663 -178.469 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 24.5 m170 -81.34 -44.37 17.71 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.243 0.964 . . . . 0.0 112.226 -178.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 39.3 m-85 -124.36 64.75 38.85 Favored Pre-proline 0 C--O 1.241 0.648 0 N-CA-C 114.674 1.361 . . . . 0.0 114.674 -178.44 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 10.9 Cg_endo -71.18 -1.15 9.14 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 123.524 1.276 . . . . 0.0 113.171 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -107.23 18.05 22.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.275 0.985 . . . . 0.0 111.299 179.856 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . 0.256 1.1 m-30 -123.99 133.63 53.64 Favored 'General case' 0 C--N 1.323 -0.57 0 O-C-N 124.231 0.957 . . . . 0.0 109.574 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -91.07 107.53 19.27 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.4 1.063 . . . . 0.0 108.765 179.281 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.573 HG22 ' HB ' ' A' ' 52' ' ' VAL . 3.7 t -85.95 150.3 3.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.394 1.059 . . . . 0.0 110.687 -179.322 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 33.4 m-85 -146.23 132.44 19.43 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 114.761 -1.109 . . . . 0.0 110.516 179.519 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.751 ' CE2' HG13 ' A' ' 18' ' ' VAL . 50.2 m-85 -106.66 141.01 38.62 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.461 1.101 . . . . 0.0 111.564 -179.694 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 96.9 mt -143.56 159.96 52.7 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.489 1.118 . . . . 0.0 109.038 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_endo -81.6 147.92 15.82 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.402 1.738 . . . . 0.0 111.589 -179.482 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.407 ' HG2' ' N ' ' A' ' 40' ' ' GLY . 77.2 tt0 -53.32 164.66 0.44 Allowed 'General case' 0 C--O 1.236 0.349 0 O-C-N 124.476 1.11 . . . . 0.0 109.599 179.438 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.407 ' N ' ' HG2' ' A' ' 39' ' ' GLU . . . 92.48 25.75 20.04 Favored Glycine 0 CA--C 1.527 0.819 0 N-CA-C 116.57 1.388 . . . . 0.0 116.57 178.682 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.442 ' HB2' ' HD2' ' A' ' 42' ' ' PRO . 1.0 OUTLIER -85.2 161.96 50.49 Favored Pre-proline 0 C--N 1.325 -0.469 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 177.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.442 ' HD2' ' HB2' ' A' ' 41' ' ' SER . 9.5 Cg_endo -54.06 -90.05 0.0 OUTLIER 'Trans proline' 0 C--N 1.358 1.069 0 O-C-N 124.307 1.688 . . . . 0.0 113.278 -178.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.465 HG13 HD21 ' A' ' 45' ' ' LEU . 0.1 OUTLIER -141.34 167.9 16.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.242 0.964 . . . . 0.0 109.134 -178.881 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . 0.258 6.3 p -72.94 91.77 1.57 Allowed 'General case' 0 N--CA 1.454 -0.27 0 O-C-N 125.006 1.441 . . . . 0.0 110.211 178.064 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.465 HD21 HG13 ' A' ' 43' ' ' VAL . 27.1 mt -100.54 90.97 4.46 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 114.98 -1.009 . . . . 0.0 109.036 -179.405 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -50.33 160.69 0.36 Allowed 'General case' 0 N--CA 1.447 -0.624 0 O-C-N 124.84 1.338 . . . . 0.0 111.08 -179.579 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.478 HD22 ' HD2' ' A' ' 48' ' ' ARG . 0.0 OUTLIER -171.54 -80.0 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.377 0 O-C-N 124.403 1.064 . . . . 0.0 109.501 -179.808 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.478 ' HD2' HD22 ' A' ' 47' ' ' LEU . 3.8 mmm180 -84.03 120.01 25.63 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.242 0.964 . . . . 0.0 109.847 178.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 74.0 m-85 -77.02 -30.32 55.71 Favored 'General case' 0 C--N 1.329 -0.324 0 O-C-N 123.969 0.793 . . . . 0.0 112.024 -179.02 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.7 p-10 -90.95 -9.37 46.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 111.867 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.467 ' HB2' ' CB ' ' A' ' 48' ' ' ARG . 4.4 ttp180 -94.38 121.03 35.49 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 123.885 0.74 . . . . 0.0 109.991 -179.306 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.573 ' HB ' HG22 ' A' ' 34' ' ' VAL . 2.7 t -94.98 142.96 12.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.417 1.073 . . . . 0.0 109.393 179.73 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 27.4 mtt180 -120.1 129.82 54.36 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.491 1.12 . . . . 0.0 109.523 179.65 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.643 HG13 ' HB3' ' A' ' 67' ' ' PRO . 39.6 t -128.22 154.12 38.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.658 1.224 . . . . 0.0 110.111 -179.547 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.491 ' O ' HG13 ' A' ' 63' ' ' VAL . 15.4 m-85 -120.72 139.77 52.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 110.376 179.395 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 16.9 p90 -145.21 171.16 14.94 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.727 1.267 . . . . 0.0 110.645 -179.624 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -92.21 116.5 66.59 Favored Pre-proline 0 C--N 1.323 -0.554 0 CA-C-N 114.933 -1.03 . . . . 0.0 108.653 -179.772 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 11.5 Cg_endo -61.0 -6.36 6.11 Favored 'Trans proline' 0 C--N 1.362 1.254 0 O-C-N 124.074 1.565 . . . . 0.0 114.684 -178.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -93.65 -85.31 1.6 Allowed Glycine 0 CA--C 1.528 0.86 0 O-C-N 123.771 0.67 . . . . 0.0 114.288 -178.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 8.5 t -67.62 -21.09 65.41 Favored 'General case' 0 C--N 1.327 -0.376 0 O-C-N 124.049 0.499 . . . . 0.0 111.465 -179.423 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 8.9 m-20 74.62 69.2 0.09 Allowed 'General case' 0 N--CA 1.45 -0.456 0 O-C-N 124.416 1.072 . . . . 0.0 109.88 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.66 HG22 HG22 ' A' ' 17' ' ' THR . 73.5 t -145.06 146.61 19.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 O-C-N 124.335 1.022 . . . . 0.0 109.076 179.694 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.491 HG13 ' O ' ' A' ' 55' ' ' PHE . 58.6 t -87.58 128.5 40.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.505 1.128 . . . . 0.0 108.838 179.349 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -130.92 23.81 4.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.897 1.373 . . . . 0.0 110.156 -179.764 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.415 ' HB2' ' HB2' ' A' ' 55' ' ' PHE . 53.6 m-70 -145.78 124.63 12.67 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.45 1.094 . . . . 0.0 109.396 179.734 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.517 HG22 HG21 ' A' ' 14' ' ' VAL . 15.0 t -56.72 112.32 4.37 Favored Pre-proline 0 C--N 1.324 -0.534 0 O-C-N 124.712 1.257 . . . . 0.0 108.736 179.401 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.643 ' HB3' HG13 ' A' ' 54' ' ' VAL . 18.7 Cg_endo -70.46 154.47 64.96 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.562 1.822 . . . . 0.0 111.47 -179.186 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 3.3 p-80 -149.58 163.06 38.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.416 1.072 . . . . 0.0 109.749 -179.591 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.524 HG13 HG22 ' A' ' 52' ' ' VAL . 0.6 OUTLIER -86.56 146.77 5.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.365 179.786 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.034 0 O-C-N 124.408 1.067 . . . . 0.0 110.938 179.992 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 35.0 p . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 110.432 -0.21 . . . . 0.0 110.432 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -133.89 160.26 38.22 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 0.0 110.258 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 56.06 -170.85 0.08 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 110.97 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 69.2 4.38 42.97 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.554 1.159 . . . . 0.0 112.831 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.483 ' OG ' HD23 ' A' ' 7' ' ' LEU . 4.7 t -158.78 138.6 11.95 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 124.222 0.601 . . . . 0.0 110.022 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.473 ' C ' HD22 ' A' ' 7' ' ' LEU . 58.3 mt-10 -96.93 50.35 1.1 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 110.249 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.483 HD23 ' OG ' ' A' ' 5' ' ' SER . 4.4 mm? -114.7 71.2 0.75 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 109.238 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.417 ' HB2' ' HB ' ' A' ' 69' ' ' VAL . 9.2 mmtt -53.14 111.34 0.67 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 109.778 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -148.3 138.64 22.7 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.466 1.103 . . . . 0.0 109.8 179.842 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -128.0 102.5 21.79 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.425 1.078 . . . . 0.0 111.084 -179.683 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_endo -78.35 7.38 4.15 Favored 'Trans proline' 0 C--N 1.361 1.235 0 O-C-N 124.199 1.631 . . . . 0.0 112.816 -179.617 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 43.0 tp10 -75.44 -23.23 56.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.036 0.835 . . . . 0.0 112.056 -179.109 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.697 HG23 ' HD2' ' A' ' 16' ' ' LYS . 7.6 p -84.58 -12.61 11.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.201 0.938 . . . . 0.0 111.439 -179.563 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.552 HG21 HG22 ' A' ' 66' ' ' VAL . 37.7 t -68.15 93.54 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 123.821 0.701 . . . . 0.0 109.403 179.728 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 140.61 -35.71 1.84 Allowed Glycine 0 CA--C 1.528 0.88 0 O-C-N 124.31 1.007 . . . . 0.0 112.34 179.744 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.697 ' HD2' HG23 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -74.4 -163.98 0.23 Allowed 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 -179.329 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.411 ' N ' ' HG3' ' A' ' 16' ' ' LYS . 0.1 OUTLIER -128.32 167.85 16.36 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.225 0.953 . . . . 0.0 109.635 -179.494 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.672 HG22 ' CD1' ' A' ' 36' ' ' PHE . 12.5 t -47.79 -52.21 6.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 123.73 0.644 . . . . 0.0 112.473 -179.542 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -48.75 -42.98 37.23 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.031 0.832 . . . . 0.0 111.545 -178.634 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.432 ' HB3' ' HD3' ' A' ' 16' ' ' LYS . 8.7 mm100 -66.45 -45.53 79.48 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.308 1.005 . . . . 0.0 109.75 179.78 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.14 -6.15 32.1 Favored 'General case' 0 N--CA 1.452 -0.34 0 O-C-N 124.835 1.334 . . . . 0.0 113.172 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.58 -47.29 12.28 Favored 'General case' 0 C--N 1.319 -0.753 0 O-C-N 124.93 1.394 . . . . 0.0 109.162 179.58 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -75.03 -24.7 58.36 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 114.675 -1.148 . . . . 0.0 110.248 179.751 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -73.7 -48.42 32.27 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.358 1.036 . . . . 0.0 111.552 -179.711 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -76.87 -23.89 52.61 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.341 1.025 . . . . 0.0 112.303 -179.19 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 3.3 m -77.72 -34.91 52.47 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.221 0.95 . . . . 0.0 112.091 -179.392 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 19.3 mt -82.77 -47.45 11.93 Favored 'General case' 0 N--CA 1.45 -0.427 0 N-CA-C 113.737 1.014 . . . . 0.0 113.737 -178.404 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.516 ' HB2' ' CD1' ' A' ' 29' ' ' TYR . 26.8 m80 -87.08 -33.76 19.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.054 0.846 . . . . 0.0 112.887 -178.026 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.516 ' CD1' ' HB2' ' A' ' 28' ' ' HIS . 36.0 m-85 -123.84 62.61 26.92 Favored Pre-proline 0 C--N 1.323 -0.566 0 N-CA-C 115.719 1.748 . . . . 0.0 115.719 -177.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -73.94 2.05 6.43 Favored 'Trans proline' 0 C--N 1.358 1.078 0 O-C-N 123.68 1.358 . . . . 0.0 113.075 179.192 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -111.39 13.23 21.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.23 0.956 . . . . 0.0 111.681 179.692 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . 0.261 0.3 OUTLIER -126.81 122.58 35.15 Favored 'General case' 0 C--N 1.322 -0.612 0 O-C-N 124.129 0.893 . . . . 0.0 109.208 179.956 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -86.87 103.88 15.69 Favored 'General case' 0 C--N 1.323 -0.566 0 O-C-N 124.451 1.094 . . . . 0.0 108.765 178.768 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.629 HG22 ' HB ' ' A' ' 52' ' ' VAL . 2.7 t -85.39 151.53 3.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.361 1.038 . . . . 0.0 109.896 -179.572 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -132.4 113.1 12.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.367 1.042 . . . . 0.0 110.713 179.502 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.672 ' CD1' HG22 ' A' ' 18' ' ' VAL . 50.0 m-85 -91.72 120.12 32.18 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.234 0.959 . . . . 0.0 111.013 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.437 ' HB3' ' HD2' ' A' ' 38' ' ' PRO . 4.4 mt -144.48 161.78 42.47 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.19 0.931 . . . . 0.0 109.172 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.437 ' HD2' ' HB3' ' A' ' 37' ' ' LEU . 19.1 Cg_endo -75.05 154.72 42.46 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.554 1.818 . . . . 0.0 110.548 179.345 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.49 ' HA ' ' CD2' ' A' ' 55' ' ' PHE . 2.0 pt-20 -54.11 169.65 0.16 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.52 1.138 . . . . 0.0 111.101 -179.736 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 81.13 16.69 73.85 Favored Glycine 0 CA--C 1.529 0.906 0 O-C-N 124.509 1.131 . . . . 0.0 112.878 179.292 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.477 ' CB ' ' HD2' ' A' ' 42' ' ' PRO . 0.2 OUTLIER -88.17 167.85 18.37 Favored Pre-proline 0 N--CA 1.453 -0.285 0 O-C-N 124.245 0.615 . . . . 0.0 109.687 178.037 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.477 ' HD2' ' CB ' ' A' ' 41' ' ' SER . 9.9 Cg_endo -56.56 175.38 0.28 Allowed 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.503 1.791 . . . . 0.0 110.913 -179.68 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.553 HG12 ' HG ' ' A' ' 45' ' ' LEU . 0.8 OUTLIER -94.51 -157.24 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.448 -0.548 0 O-C-N 124.327 1.017 . . . . 0.0 110.103 -179.866 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.531 ' N ' HG13 ' A' ' 43' ' ' VAL . 21.4 p -96.02 42.23 1.09 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 113.853 -1.521 . . . . 0.0 109.169 179.498 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.553 ' HG ' HG12 ' A' ' 43' ' ' VAL . 19.0 mt -48.93 -49.83 38.31 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 113.747 -1.57 . . . . 0.0 110.522 -179.812 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -75.3 -162.78 0.2 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.594 1.184 . . . . 0.0 110.156 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 14.7 tp -139.68 89.44 2.32 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.29 0.994 . . . . 0.0 109.775 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.471 ' HD2' ' CZ ' ' A' ' 51' ' ' ARG . 6.1 mmt-85 -127.81 88.16 2.73 Favored 'General case' 0 C--N 1.322 -0.591 0 O-C-N 124.538 1.149 . . . . 0.0 109.361 179.692 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 59.9 m-85 -71.22 -24.03 62.12 Favored 'General case' 0 C--N 1.328 -0.36 0 O-C-N 124.727 1.267 . . . . 0.0 110.879 -179.536 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -88.63 -10.59 48.11 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.592 1.182 . . . . 0.0 111.777 179.544 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.471 ' CZ ' ' HD2' ' A' ' 48' ' ' ARG . 2.8 ttp180 -108.9 115.4 30.0 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 123.994 0.809 . . . . 0.0 110.312 -179.851 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.629 ' HB ' HG22 ' A' ' 34' ' ' VAL . 0.3 OUTLIER -95.86 144.84 9.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 O-C-N 124.482 1.114 . . . . 0.0 109.133 179.672 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 41.1 mtt180 -116.91 97.05 5.75 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.679 1.237 . . . . 0.0 109.878 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 82.7 t -91.46 145.07 7.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.647 1.217 . . . . 0.0 109.36 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.49 ' CD2' ' HA ' ' A' ' 39' ' ' GLU . 4.8 m-85 -118.62 140.25 50.2 Favored 'General case' 0 CA--C 1.535 0.382 0 O-C-N 124.583 1.177 . . . . 0.0 110.569 179.584 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 3.4 p90 -145.83 175.9 10.07 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.436 1.085 . . . . 0.0 110.542 -179.682 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.654 ' HB3' HG22 ' A' ' 60' ' ' THR . 2.5 t-20 -82.08 137.55 46.27 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.323 1.014 . . . . 0.0 109.634 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_endo -52.13 -56.41 2.94 Favored 'Trans proline' 0 C--N 1.361 1.235 0 O-C-N 124.359 1.715 . . . . 0.0 114.284 -178.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -98.02 -44.43 2.62 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 117.302 1.681 . . . . 0.0 117.302 -177.421 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.654 HG22 ' HB3' ' A' ' 57' ' ' ASN . 0.7 OUTLIER -69.28 -31.8 70.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.046 0.498 . . . . 0.0 111.15 -178.428 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 65.9 66.04 0.51 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.24 0.963 . . . . 0.0 110.573 179.276 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.587 HG23 HG23 ' A' ' 60' ' ' THR . 97.8 t -142.27 131.93 23.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 O-C-N 124.403 1.065 . . . . 0.0 109.433 179.526 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.571 HG11 HG22 ' A' ' 13' ' ' VAL . 17.2 t -69.87 119.65 16.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 114.836 -1.074 . . . . 0.0 109.066 179.585 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.414 HD21 ' CE1' ' A' ' 65' ' ' HIS . 1.5 p30 -134.64 28.92 3.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.724 1.265 . . . . 0.0 109.426 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.414 ' CE1' HD21 ' A' ' 64' ' ' ASN . 36.9 m80 -148.35 123.97 10.45 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 114.899 -1.046 . . . . 0.0 109.163 179.576 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.552 HG22 HG21 ' A' ' 14' ' ' VAL . 5.3 t -65.57 113.35 11.39 Favored Pre-proline 0 C--N 1.323 -0.583 0 O-C-N 124.836 1.335 . . . . 0.0 109.259 179.829 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -83.97 156.75 13.39 Favored 'Trans proline' 0 C--N 1.358 1.057 0 O-C-N 124.384 1.728 . . . . 0.0 110.906 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 6.4 p-80 -148.25 162.48 39.4 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.301 1.0 . . . . 0.0 109.732 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.417 ' HB ' ' HB2' ' A' ' 8' ' ' LYS . 2.4 t -94.07 147.97 5.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.422 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 O-C-N 124.431 1.082 . . . . 0.0 110.996 179.993 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 82.7 p . . . . . 0 C--O 1.232 0.183 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -134.56 -155.49 0.66 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.245 0.966 . . . . 0.0 110.299 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 59.94 -156.68 0.34 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.455 1.097 . . . . 0.0 111.06 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 138.7 -6.08 3.19 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.427 1.08 . . . . 0.0 113.124 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 26.6 t 63.77 167.53 0.15 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.303 0.649 . . . . 0.0 110.753 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -130.25 137.43 50.01 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 114.904 -1.044 . . . . 0.0 110.334 -179.628 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -79.3 107.94 12.44 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.505 1.128 . . . . 0.0 109.353 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 11.0 mttm -71.75 93.98 1.34 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.43 1.081 . . . . 0.0 109.723 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -148.58 134.79 19.34 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.477 1.11 . . . . 0.0 110.013 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -129.73 92.22 38.1 Favored Pre-proline 0 C--N 1.326 -0.431 0 O-C-N 124.438 1.086 . . . . 0.0 111.44 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -80.1 2.23 8.61 Favored 'Trans proline' 0 C--N 1.367 1.53 0 O-C-N 123.75 1.395 . . . . 0.0 112.618 179.699 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -74.7 -26.82 60.09 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.059 0.849 . . . . 0.0 111.032 -179.588 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.6 p -92.03 41.86 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.919 -179.637 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.7 t -102.47 131.36 50.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.397 1.061 . . . . 0.0 109.096 179.774 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 105.89 -23.89 28.19 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.51 1.131 . . . . 0.0 111.469 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 66.1 mttt -76.19 161.06 29.11 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 108.691 -0.855 . . . . 0.0 108.691 -179.668 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.695 HG22 HG22 ' A' ' 62' ' ' VAL . 71.5 p -88.23 167.34 13.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.073 0.858 . . . . 0.0 110.554 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.484 HG13 ' CD1' ' A' ' 36' ' ' PHE . 17.0 t -48.42 -58.81 0.98 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.477 0 O-C-N 124.429 1.08 . . . . 0.0 111.772 -179.857 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -53.02 -36.49 60.57 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.229 -0.896 . . . . 0.0 111.229 -179.054 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 24.9 mm-40 -64.71 -50.66 66.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.376 1.047 . . . . 0.0 110.349 -179.716 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.29 -3.45 17.25 Favored 'General case' 0 N--CA 1.452 -0.333 0 O-C-N 124.634 1.209 . . . . 0.0 112.958 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.414 ' NH1' ' HB ' ' A' ' 34' ' ' VAL . 0.4 OUTLIER -82.9 -45.56 14.05 Favored 'General case' 0 C--N 1.321 -0.645 0 O-C-N 124.608 1.193 . . . . 0.0 109.682 179.832 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -71.92 -28.38 63.44 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 114.744 -1.116 . . . . 0.0 110.973 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 10.3 t80 -69.69 -49.01 57.53 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.522 1.139 . . . . 0.0 111.033 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 15.5 m-85 -73.93 -19.39 60.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.435 1.084 . . . . 0.0 111.401 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.3 m -75.67 -36.03 60.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.291 0.994 . . . . 0.0 111.342 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 10.8 mt -84.29 -45.76 12.49 Favored 'General case' 0 N--CA 1.448 -0.53 0 N-CA-C 113.504 0.927 . . . . 0.0 113.504 -178.423 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 -87.27 -41.56 13.59 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 113.614 0.968 . . . . 0.0 113.614 -177.778 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.4 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 8.8 m-30 -118.18 51.79 1.38 Allowed Pre-proline 0 C--N 1.324 -0.525 0 N-CA-C 115.12 1.526 . . . . 0.0 115.12 -178.279 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.4 ' CD ' ' N ' ' A' ' 29' ' ' TYR . 19.5 Cg_endo -66.35 -12.7 36.74 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 123.939 1.494 . . . . 0.0 112.803 -179.332 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -90.96 14.97 12.38 Favored 'General case' 0 N--CA 1.452 -0.36 0 O-C-N 124.197 0.936 . . . . 0.0 112.445 -178.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.427 ' CZ ' HG11 ' A' ' 69' ' ' VAL 0.266 0.3 OUTLIER -128.75 138.77 52.29 Favored 'General case' 0 C--N 1.322 -0.61 0 O-C-N 124.199 0.937 . . . . 0.0 109.55 -179.49 . . . . . . . . 4 4 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -89.56 111.22 22.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.599 1.187 . . . . 0.0 108.256 178.624 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.42 HG22 ' HB ' ' A' ' 52' ' ' VAL . 3.7 t -85.58 152.05 3.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.633 1.208 . . . . 0.0 110.095 -179.027 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.538 ' CE2' ' CD ' ' A' ' 51' ' ' ARG . 30.0 m-85 -147.97 108.93 4.23 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.025 -0.989 . . . . 0.0 110.804 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.484 ' CD1' HG13 ' A' ' 18' ' ' VAL . 31.6 m-85 -93.01 132.53 37.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.404 1.065 . . . . 0.0 111.383 -179.744 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -145.02 168.57 11.76 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.272 0.983 . . . . 0.0 108.884 179.677 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -74.54 155.72 45.15 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.583 1.833 . . . . 0.0 110.946 179.614 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.0 140.22 45.31 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.431 1.082 . . . . 0.0 111.663 -179.647 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 65.06 13.92 58.26 Favored Glycine 0 CA--C 1.529 0.921 0 CA-C-N 115.073 -0.967 . . . . 0.0 112.621 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.469 ' HB3' ' HD3' ' A' ' 42' ' ' PRO . 3.4 t -87.52 -52.39 0.4 Allowed Pre-proline 0 N--CA 1.45 -0.428 0 O-C-N 124.514 0.773 . . . . 0.0 111.825 178.197 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.469 ' HD3' ' HB3' ' A' ' 41' ' ' SER . 29.7 Cg_endo -81.37 -160.49 0.13 Allowed 'Trans proline' 0 C--N 1.359 1.091 0 O-C-N 123.823 1.433 . . . . 0.0 110.977 -179.634 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.552 HG13 ' N ' ' A' ' 44' ' ' THR . 1.0 OUTLIER -130.79 -158.48 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.099 -0.955 . . . . 0.0 108.874 179.694 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.552 ' N ' HG13 ' A' ' 43' ' ' VAL . 5.4 p -79.75 105.23 10.89 Favored 'General case' 0 N--CA 1.452 -0.368 0 O-C-N 125.359 1.662 . . . . 0.0 110.416 178.686 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -130.64 55.95 1.8 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 123.963 0.789 . . . . 0.0 109.009 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -82.63 0.45 43.0 Favored 'General case' 0 N--CA 1.446 -0.669 0 CA-C-N 114.805 -1.089 . . . . 0.0 112.289 -179.521 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 14.3 tp -79.44 11.5 2.97 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 112.916 0.71 . . . . 0.0 112.916 -179.016 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.438 ' HB3' ' HB3' ' A' ' 51' ' ' ARG . 0.4 OUTLIER -100.28 95.05 6.52 Favored 'General case' 0 C--N 1.322 -0.619 0 O-C-N 123.776 0.673 . . . . 0.0 110.455 -179.586 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 16.4 m-30 -77.72 -27.24 50.55 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.425 1.078 . . . . 0.0 110.506 179.731 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 -101.2 -3.52 28.92 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.65 1.219 . . . . 0.0 113.423 -178.174 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.538 ' CD ' ' CE2' ' A' ' 35' ' ' TYR . 1.8 ttp180 -115.79 132.14 56.73 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.238 0.961 . . . . 0.0 111.132 -178.733 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 1.098 HG22 ' CG2' ' A' ' 69' ' ' VAL . 48.3 t -105.0 117.32 50.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.624 1.203 . . . . 0.0 108.493 179.231 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.405 ' HG2' ' NH1' ' A' ' 53' ' ' ARG . 0.0 OUTLIER -100.41 129.14 46.34 Favored 'General case' 0 N--CA 1.449 -0.494 0 O-C-N 124.412 1.07 . . . . 0.0 109.953 179.715 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.701 HG13 ' HB3' ' A' ' 67' ' ' PRO . 2.9 t -123.52 149.89 27.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.438 1.086 . . . . 0.0 109.12 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 11.3 m-85 -119.64 135.35 54.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.539 1.15 . . . . 0.0 110.566 179.478 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 16.2 p90 -136.26 164.42 28.12 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.501 1.126 . . . . 0.0 111.389 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -90.56 119.33 69.09 Favored Pre-proline 0 C--N 1.324 -0.517 0 CA-C-N 114.446 -1.252 . . . . 0.0 108.244 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -80.06 19.15 1.07 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.066 1.561 . . . . 0.0 114.637 -178.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -101.59 -55.29 0.9 Allowed Glycine 0 CA--C 1.53 1.012 0 N-CA-C 110.746 -0.942 . . . . 0.0 110.746 179.685 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.428 HG23 HG23 ' A' ' 62' ' ' VAL . 15.2 t -114.59 5.88 15.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 0.751 . . . . 0.0 112.362 179.838 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 73.7 m-80 60.27 62.62 1.55 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 123.881 0.738 . . . . 0.0 110.088 179.7 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.695 HG22 HG22 ' A' ' 17' ' ' THR . 66.9 t -142.52 138.39 28.88 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.4 0 O-C-N 124.447 1.092 . . . . 0.0 110.094 179.629 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 60.1 t -78.89 137.74 21.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.363 1.04 . . . . 0.0 109.945 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -145.98 29.57 1.09 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.522 1.139 . . . . 0.0 109.45 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 63.6 m-70 -147.68 130.5 16.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.738 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 41.5 t -66.27 114.93 19.08 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.382 1.051 . . . . 0.0 109.571 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.701 ' HB3' HG13 ' A' ' 54' ' ' VAL . 36.2 Cg_endo -79.06 153.92 25.26 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.466 1.772 . . . . 0.0 111.214 179.572 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 11.2 p80 -143.97 160.74 40.3 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.421 1.076 . . . . 0.0 109.726 179.558 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 1.098 ' CG2' HG22 ' A' ' 52' ' ' VAL . 92.8 t -112.94 98.04 6.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.575 1.172 . . . . 0.0 108.862 179.822 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.962 0 O-C-N 124.295 0.997 . . . . 0.0 110.855 -179.695 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.452 -0.369 0 N-CA-C 112.22 0.452 . . . . 0.0 112.22 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -134.8 -167.16 1.93 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.242 0.964 . . . . 0.0 110.291 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 4.1 m-30 -99.95 -169.66 1.77 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.424 1.078 . . . . 0.0 110.968 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 126.34 -5.26 7.69 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.42 1.075 . . . . 0.0 112.966 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.1 t 175.07 109.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.225 0.603 . . . . 0.0 109.895 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -152.05 96.49 2.21 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.378 1.049 . . . . 0.0 110.444 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 6.7 mp -80.71 113.42 18.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 109.324 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 11.1 mttp -72.66 89.83 1.34 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 109.47 -179.734 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.1 m -148.52 137.51 21.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.341 1.026 . . . . 0.0 109.663 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -125.03 91.84 48.62 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.606 1.191 . . . . 0.0 110.695 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -75.38 -4.72 15.71 Favored 'Trans proline' 0 C--N 1.367 1.525 0 O-C-N 123.815 1.429 . . . . 0.0 112.893 -179.409 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -76.93 -19.16 57.71 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.159 0.912 . . . . 0.0 111.562 -179.625 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 2.9 t -93.73 39.27 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 O-C-N 124.253 0.97 . . . . 0.0 109.527 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 55.6 t -104.99 137.26 35.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.11 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 110.08 -26.57 13.47 Favored Glycine 0 CA--C 1.532 1.097 0 O-C-N 124.546 1.154 . . . . 0.0 110.586 -179.718 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.424 ' HB3' ' HB3' ' A' ' 20' ' ' GLN . 19.1 mttt -76.78 162.55 27.57 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.596 0.821 . . . . 0.0 108.815 -179.728 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.678 HG22 HG22 ' A' ' 62' ' ' VAL . 70.5 p -98.33 168.83 9.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.158 0.911 . . . . 0.0 110.201 179.754 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.631 HG13 ' CG ' ' A' ' 36' ' ' PHE . 73.0 t -49.57 -53.47 9.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.115 . . . . 0.0 111.316 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.11 -36.85 75.89 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.313 1.008 . . . . 0.0 110.563 -179.417 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.482 ' HA ' ' NE2' ' A' ' 20' ' ' GLN . 0.0 OUTLIER -63.67 -54.14 40.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.555 1.16 . . . . 0.0 109.575 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -74.02 0.49 13.48 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.44 1.087 . . . . 0.0 112.81 179.683 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.507 HH21 ' HD2' ' A' ' 36' ' ' PHE . 18.4 tpp85 -81.46 -46.25 14.83 Favored 'General case' 0 C--N 1.322 -0.593 0 O-C-N 124.348 1.03 . . . . 0.0 109.289 179.594 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -72.44 -30.62 64.75 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 114.582 -1.19 . . . . 0.0 109.858 179.508 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 36.0 t80 -65.29 -56.02 15.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.588 1.18 . . . . 0.0 110.85 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.414 ' CG ' HG21 ' A' ' 34' ' ' VAL . 5.7 m-85 -66.87 -21.87 65.99 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.639 1.212 . . . . 0.0 110.972 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.4 m -76.53 -36.21 57.83 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.311 1.007 . . . . 0.0 111.65 -179.794 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.4 mt -82.37 -45.33 15.01 Favored 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 113.964 1.098 . . . . 0.0 113.964 -178.363 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 21.6 m170 -83.02 -42.15 17.84 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.059 0.849 . . . . 0.0 112.96 -178.544 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 45.8 m-85 -121.71 72.67 31.45 Favored Pre-proline 0 C--O 1.24 0.56 0 N-CA-C 115.031 1.493 . . . . 0.0 115.031 -178.531 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_endo -76.62 5.68 4.62 Favored 'Trans proline' 0 C--N 1.358 1.07 0 O-C-N 123.601 1.316 . . . . 0.0 113.445 179.708 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -121.4 21.21 11.1 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.361 1.038 . . . . 0.0 110.512 179.24 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . 0.254 1.1 m-30 -122.98 126.14 46.6 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 114.979 -1.01 . . . . 0.0 109.665 179.542 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -89.81 98.16 11.61 Favored 'General case' 0 C--N 1.322 -0.591 0 O-C-N 124.469 1.106 . . . . 0.0 108.683 178.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.521 HG22 ' HB ' ' A' ' 52' ' ' VAL . 2.5 t -85.87 151.29 3.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.551 1.157 . . . . 0.0 109.201 -179.713 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -137.34 122.74 19.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 110.973 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.631 ' CG ' HG13 ' A' ' 18' ' ' VAL . 42.3 m-85 -101.54 116.91 33.82 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.229 0.956 . . . . 0.0 110.689 179.81 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.502 HD23 ' O ' ' A' ' 36' ' ' PHE . 0.2 OUTLIER -142.22 -178.93 0.87 Allowed Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.255 0.972 . . . . 0.0 108.841 -179.901 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.497 ' CD ' ' CB ' ' A' ' 37' ' ' LEU . 9.9 Cg_endo -73.36 161.35 42.89 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.311 1.69 . . . . 0.0 110.476 179.401 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.422 ' HB3' ' HB3' ' A' ' 55' ' ' PHE . 0.0 OUTLIER -91.39 51.43 1.9 Allowed 'General case' 0 C--N 1.322 -0.59 0 O-C-N 124.505 1.128 . . . . 0.0 110.304 -179.359 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -127.19 21.63 5.75 Favored Glycine 0 CA--C 1.528 0.9 0 O-C-N 124.313 1.008 . . . . 0.0 115.358 -178.285 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.496 ' CB ' ' CD ' ' A' ' 42' ' ' PRO . 2.6 p -88.42 -178.49 1.06 Allowed Pre-proline 0 C--O 1.239 0.503 0 O-C-N 124.477 0.751 . . . . 0.0 109.809 178.232 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.496 ' CD ' ' CB ' ' A' ' 41' ' ' SER . 68.3 Cg_endo -83.49 -89.6 0.0 OUTLIER 'Trans proline' 0 C--N 1.358 1.058 0 O-C-N 124.156 1.609 . . . . 0.0 111.915 -179.653 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.551 HG13 ' N ' ' A' ' 44' ' ' THR . 1.1 p -140.0 -158.84 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.211 -0.904 . . . . 0.0 108.796 -179.797 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 1.204 HG22 ' OXT' ' A' ' 70' ' ' GLY . 1.3 p -81.95 90.85 6.5 Favored 'General case' 0 N--CA 1.448 -0.536 0 O-C-N 125.144 1.528 . . . . 0.0 110.604 178.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.476 HD11 ' HG2' ' A' ' 42' ' ' PRO . 1.3 mt -74.53 -71.59 0.33 Allowed 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 114.92 -1.036 . . . . 0.0 110.906 -179.677 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -62.37 163.53 8.43 Favored 'General case' 0 N--CA 1.448 -0.566 0 O-C-N 124.395 1.059 . . . . 0.0 111.274 -179.404 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -120.46 44.77 2.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 114.934 -1.03 . . . . 0.0 109.556 -179.74 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.643 ' HG3' HH21 ' A' ' 51' ' ' ARG . 0.1 OUTLIER -87.84 104.93 17.05 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 114.885 -1.052 . . . . 0.0 109.555 179.84 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 13.7 m-30 -71.31 -29.49 65.09 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 115.341 -0.845 . . . . 0.0 112.595 -178.753 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 10.8 p-10 -89.35 -10.1 47.94 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.471 1.107 . . . . 0.0 111.866 179.611 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.643 HH21 ' HG3' ' A' ' 48' ' ' ARG . 0.1 OUTLIER -98.94 119.94 38.55 Favored 'General case' 0 C--N 1.323 -0.575 0 O-C-N 123.934 0.771 . . . . 0.0 109.873 -179.372 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.66 HG13 HG22 ' A' ' 69' ' ' VAL . 1.9 t -109.44 148.77 12.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.258 0.974 . . . . 0.0 110.051 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 1.3 mtt85 -120.19 135.26 55.04 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 114.77 -1.105 . . . . 0.0 109.711 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.48 HG13 ' HB3' ' A' ' 67' ' ' PRO . 17.3 t -129.32 136.99 58.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.611 1.194 . . . . 0.0 109.255 -179.817 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.426 ' O ' HG13 ' A' ' 63' ' ' VAL . 44.4 m-85 -105.71 144.23 32.74 Favored 'General case' 0 C--N 1.328 -0.337 0 O-C-N 124.445 1.091 . . . . 0.0 111.22 179.733 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 15.7 p90 -148.73 169.26 20.83 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 114.939 -1.028 . . . . 0.0 110.469 -179.593 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.445 ' HA ' ' HD3' ' A' ' 58' ' ' PRO . 3.4 t-20 -78.75 133.75 61.91 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.316 1.01 . . . . 0.0 109.701 -179.665 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.445 ' HD3' ' HA ' ' A' ' 57' ' ' ASN . 54.2 Cg_endo -85.24 38.02 0.63 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.239 1.652 . . . . 0.0 113.198 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -146.66 -67.28 0.01 OUTLIER Glycine 0 CA--C 1.531 1.045 0 N-CA-C 110.752 -0.939 . . . . 0.0 110.752 179.767 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.528 HG23 HG23 ' A' ' 62' ' ' VAL . 7.4 t -83.43 -19.93 35.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 0.757 . . . . 0.0 110.96 179.752 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 8.7 m-20 69.38 68.41 0.26 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.342 1.026 . . . . 0.0 109.33 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.678 HG22 HG22 ' A' ' 17' ' ' THR . 49.9 t -143.69 139.88 25.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.201 179.724 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.426 HG13 ' O ' ' A' ' 55' ' ' PHE . 45.4 t -80.87 125.89 39.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 108.893 179.517 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.482 ' ND2' ' CD2' ' A' ' 65' ' ' HIS . 0.5 OUTLIER -134.44 24.73 3.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.678 1.236 . . . . 0.0 109.715 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.482 ' CD2' ' ND2' ' A' ' 64' ' ' ASN . 64.2 m-70 -143.28 144.97 32.33 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.315 1.009 . . . . 0.0 109.376 179.776 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 59.5 t -70.92 115.88 40.64 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.606 1.191 . . . . 0.0 109.089 179.765 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.48 ' HB3' HG13 ' A' ' 54' ' ' VAL . 27.7 Cg_endo -74.63 148.32 36.9 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.544 1.813 . . . . 0.0 110.665 -179.643 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -148.5 163.22 37.85 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.481 1.113 . . . . 0.0 109.753 -179.796 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.66 HG22 HG13 ' A' ' 52' ' ' VAL . 97.6 t -85.73 149.65 4.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 109.384 179.787 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 1.204 ' OXT' HG22 ' A' ' 44' ' ' THR . . . . . . . . 0 CA--C 1.53 0.979 0 O-C-N 124.497 1.123 . . . . 0.0 110.979 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 82.3 p . . . . . 0 N--CA 1.452 -0.365 0 CA-C-O 120.541 0.21 . . . . 0.0 110.492 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -90.95 162.29 14.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.58 1.175 . . . . 0.0 110.214 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 87.7 m-85 -51.76 -26.22 9.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.155 . . . . 0.0 110.845 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 84.07 -4.17 83.86 Favored Glycine 0 CA--C 1.529 0.922 0 O-C-N 124.495 1.122 . . . . 0.0 113.017 179.75 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.4 t -92.78 -100.46 0.13 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.18 0.576 . . . . 0.0 110.087 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 68.71 157.84 0.15 Allowed 'General case' 0 N--CA 1.451 -0.384 0 O-C-N 124.098 0.874 . . . . 0.0 110.263 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 5.9 mp -92.11 165.18 13.29 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 114.727 -1.124 . . . . 0.0 108.72 179.549 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.432 ' HB2' ' HB ' ' A' ' 69' ' ' VAL . 45.3 mmtt -60.67 96.92 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.602 1.189 . . . . 0.0 109.482 -179.827 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.431 ' HB2' ' HB3' ' A' ' 68' ' ' HIS . 1.5 t -142.98 142.33 31.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.342 1.026 . . . . 0.0 109.687 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -127.71 99.43 26.42 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.143 . . . . 0.0 111.067 -179.653 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_endo -77.2 -0.96 11.12 Favored 'Trans proline' 0 C--N 1.363 1.311 0 O-C-N 124.067 1.562 . . . . 0.0 112.498 179.624 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -77.15 -30.59 55.08 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 123.857 0.723 . . . . 0.0 111.866 -179.17 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.674 HG23 ' HD2' ' A' ' 16' ' ' LYS . 12.1 p -91.85 55.77 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.199 0.937 . . . . 0.0 110.273 -179.371 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 26.9 t -122.7 115.68 46.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.321 1.013 . . . . 0.0 109.142 179.71 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 118.92 -20.14 10.01 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.464 1.103 . . . . 0.0 111.603 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.674 ' HD2' HG23 ' A' ' 13' ' ' VAL . 5.3 ptpt -79.66 162.03 25.49 Favored 'General case' 0 C--N 1.327 -0.376 0 O-C-N 124.626 0.839 . . . . 0.0 108.762 -179.136 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.705 HG22 HG22 ' A' ' 62' ' ' VAL . 25.4 p -88.27 166.46 14.3 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.127 0.892 . . . . 0.0 111.477 -179.397 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.695 HG13 ' CD1' ' A' ' 36' ' ' PHE . 15.5 t -49.26 -58.26 1.4 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 111.325 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -52.04 -37.51 53.83 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.174 -0.921 . . . . 0.0 110.592 -179.25 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 7.1 mm-40 -63.75 -52.32 60.9 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.127 . . . . 0.0 110.034 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.04 -0.27 13.41 Favored 'General case' 0 N--CA 1.451 -0.395 0 O-C-N 124.565 1.165 . . . . 0.0 113.156 -179.707 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 7.1 tpp85 -84.43 -46.43 11.69 Favored 'General case' 0 C--N 1.322 -0.625 0 O-C-N 124.559 1.162 . . . . 0.0 109.865 -179.68 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -75.29 -24.72 57.56 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 114.747 -1.115 . . . . 0.0 110.808 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 57.4 t80 -71.55 -48.68 46.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 112.151 -179.622 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -71.15 -22.88 62.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.449 1.093 . . . . 0.0 112.287 -179.437 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 24.4 m -76.37 -32.25 58.51 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.297 0.998 . . . . 0.0 111.915 -179.367 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 15.5 mt -88.15 -46.0 9.64 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 113.712 1.004 . . . . 0.0 113.712 -178.318 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 14.8 m170 -84.98 -38.94 18.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.088 0.867 . . . . 0.0 113.085 -178.417 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 47.1 m-85 -123.58 57.69 12.38 Favored Pre-proline 0 C--N 1.323 -0.562 0 N-CA-C 114.288 1.218 . . . . 0.0 114.288 -178.295 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_endo -68.57 -8.82 24.27 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 123.876 1.461 . . . . 0.0 113.5 -179.006 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -98.05 17.17 19.01 Favored 'General case' 0 C--N 1.327 -0.381 0 O-C-N 124.205 0.941 . . . . 0.0 111.748 -179.794 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . 0.267 3.2 m-85 -128.07 129.95 47.45 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.202 -0.908 . . . . 0.0 109.992 -179.451 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 83.6 m-20 -89.85 98.27 11.67 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.387 1.055 . . . . 0.0 108.491 178.763 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 6.0 t -85.3 148.84 4.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.132 . . . . 0.0 110.821 -179.481 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.524 ' CE2' ' HD3' ' A' ' 51' ' ' ARG . 3.8 m-30 -132.51 141.89 48.97 Favored 'General case' 0 CA--C 1.543 0.686 0 O-C-N 124.426 1.079 . . . . 0.0 109.825 179.119 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.695 ' CD1' HG13 ' A' ' 18' ' ' VAL . 32.4 m-85 -120.49 126.81 51.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.816 1.322 . . . . 0.0 110.892 -179.875 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.444 ' HB3' ' HD2' ' A' ' 38' ' ' PRO . 12.2 mt -145.22 160.95 44.05 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.218 0.949 . . . . 0.0 109.024 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.444 ' HD2' ' HB3' ' A' ' 37' ' ' LEU . 5.9 Cg_endo -66.83 150.5 83.25 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.442 1.759 . . . . 0.0 110.574 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.407 ' HG3' ' NE2' ' A' ' 65' ' ' HIS . 1.2 tt0 -69.67 137.05 51.82 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.527 1.142 . . . . 0.0 112.009 -179.259 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 78.09 8.47 87.4 Favored Glycine 0 CA--C 1.529 0.95 0 CA-C-N 114.87 -1.059 . . . . 0.0 113.031 179.022 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 52.3 p -94.72 150.87 38.59 Favored Pre-proline 0 C--O 1.244 0.788 0 O-C-N 124.716 0.892 . . . . 0.0 109.524 178.127 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 26.7 Cg_endo -64.01 140.41 72.32 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 123.865 1.455 . . . . 0.0 110.332 178.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -142.65 168.43 13.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.357 1.036 . . . . 0.0 108.808 179.824 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -75.59 90.55 2.79 Favored 'General case' 0 CA--C 1.534 0.361 0 O-C-N 125.107 1.504 . . . . 0.0 108.305 177.333 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.401 ' HA ' ' NH2' ' A' ' 53' ' ' ARG . 0.1 OUTLIER -87.69 40.97 0.96 Allowed 'General case' 0 N--CA 1.449 -0.475 0 O-C-N 124.448 1.092 . . . . 0.0 111.809 -177.944 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -77.89 -158.72 0.13 Allowed 'General case' 0 C--N 1.323 -0.584 0 O-C-N 124.129 0.893 . . . . 0.0 109.401 179.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.634 HD21 ' CE1' ' A' ' 49' ' ' TYR . 0.4 OUTLIER -109.06 92.55 4.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.011 0.82 . . . . 0.0 110.482 -179.471 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.481 ' HB3' ' CB ' ' A' ' 51' ' ' ARG . 7.1 mmm180 -114.52 119.96 38.62 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 114.784 -1.098 . . . . 0.0 110.28 -179.462 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.634 ' CE1' HD21 ' A' ' 47' ' ' LEU . 18.0 m-30 -85.74 -38.16 18.56 Favored 'General case' 0 CA--C 1.536 0.429 0 O-C-N 124.261 0.976 . . . . 0.0 112.749 -179.38 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -92.44 -7.75 46.68 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.704 1.252 . . . . 0.0 112.206 -179.468 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.524 ' HD3' ' CE2' ' A' ' 35' ' ' TYR . 8.0 ttm180 -98.61 125.45 43.87 Favored 'General case' 0 C--N 1.323 -0.56 0 O-C-N 124.089 0.868 . . . . 0.0 110.526 -179.064 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 1.253 ' CG2' HG22 ' A' ' 69' ' ' VAL . 53.9 t -111.9 123.48 67.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.421 1.076 . . . . 0.0 109.088 179.194 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.401 ' NH2' ' HA ' ' A' ' 45' ' ' LEU . 66.8 mtt85 -88.95 136.7 32.87 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.025 -0.989 . . . . 0.0 111.103 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.493 HG22 ' CB ' ' A' ' 67' ' ' PRO . 62.3 t -131.54 151.95 36.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.276 0.985 . . . . 0.0 109.248 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.452 ' O ' HG13 ' A' ' 63' ' ' VAL . 24.3 m-85 -131.56 142.08 49.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 111.131 -179.807 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.44 ' CD1' ' C ' ' A' ' 56' ' ' TYR . 5.4 p90 -140.05 165.43 27.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.604 1.19 . . . . 0.0 110.467 179.661 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.401 ' HA ' ' HD3' ' A' ' 58' ' ' PRO . 8.8 t-20 -102.16 133.65 20.51 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 0.0 109.801 -179.544 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 57' ' ' ASN . 23.9 Cg_endo -78.87 -17.97 11.9 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.42 1.748 . . . . 0.0 111.719 179.667 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -50.12 -54.08 20.57 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.349 1.031 . . . . 0.0 111.831 -179.679 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 14.9 t -132.62 13.77 4.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 0.76 . . . . 0.0 111.903 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 5.9 m120 58.09 61.18 2.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.039 0.837 . . . . 0.0 109.654 179.738 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.705 HG22 HG22 ' A' ' 17' ' ' THR . 38.8 t -140.72 142.47 30.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 O-C-N 124.529 1.143 . . . . 0.0 110.333 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.452 HG13 ' O ' ' A' ' 55' ' ' PHE . 47.8 t -81.46 137.24 21.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 114.957 -1.02 . . . . 0.0 109.557 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 37.4 p30 -147.97 34.33 0.83 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.538 1.149 . . . . 0.0 109.878 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.407 ' NE2' ' HG3' ' A' ' 39' ' ' GLU . 89.7 m-70 -147.89 124.61 11.16 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.481 1.113 . . . . 0.0 109.59 179.735 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 14.9 t -58.05 111.28 3.32 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.45 1.094 . . . . 0.0 109.968 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.493 ' CB ' HG22 ' A' ' 54' ' ' VAL . 42.1 Cg_endo -82.95 104.84 1.3 Allowed 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.475 1.776 . . . . 0.0 110.797 179.531 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.431 ' HB3' ' HB2' ' A' ' 9' ' ' SER . 0.1 OUTLIER -107.41 163.25 13.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.328 1.017 . . . . 0.0 109.756 -179.901 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 1.253 HG22 ' CG2' ' A' ' 52' ' ' VAL . 69.2 t -86.42 145.94 7.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 108.89 179.568 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.945 0 O-C-N 124.669 1.231 . . . . 0.0 111.056 -179.853 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 16.3 m . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 110.362 -0.236 . . . . 0.0 110.362 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -92.92 165.47 12.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.459 1.099 . . . . 0.0 110.299 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 20.9 m-30 -99.82 -38.9 8.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 111.057 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 77.31 5.71 85.73 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.493 1.12 . . . . 0.0 112.928 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.6 t -90.8 46.13 1.31 Allowed 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.22 0.6 . . . . 0.0 110.143 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.516 ' C ' HD22 ' A' ' 7' ' ' LEU . 23.2 mp0 -142.84 63.07 1.39 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.095 . . . . 0.0 110.293 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.516 HD22 ' C ' ' A' ' 6' ' ' GLU . 4.2 mm? -126.22 -176.73 3.73 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.576 1.172 . . . . 0.0 109.36 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 19.8 mmtp -62.02 105.13 0.54 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.503 1.127 . . . . 0.0 109.421 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.1 m -138.13 147.39 43.88 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.447 1.092 . . . . 0.0 109.766 179.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.4 ' CD1' ' N ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -127.27 98.7 29.11 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 111.047 -179.754 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 24.8 Cg_endo -75.33 -4.37 15.22 Favored 'Trans proline' 0 C--N 1.363 1.336 0 O-C-N 124.055 1.555 . . . . 0.0 112.676 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -72.97 -17.91 61.42 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.061 0.85 . . . . 0.0 111.302 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.562 HG13 ' HD3' ' A' ' 16' ' ' LYS . 5.5 t -93.83 32.4 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.218 0.949 . . . . 0.0 110.01 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 9.0 t -94.78 108.85 21.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.385 1.053 . . . . 0.0 109.103 179.78 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 118.52 -19.54 10.57 Favored Glycine 0 CA--C 1.531 1.085 0 O-C-N 124.573 1.171 . . . . 0.0 111.287 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.562 ' HD3' HG13 ' A' ' 13' ' ' VAL . 13.4 mtpt -73.78 162.61 28.95 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.571 0.807 . . . . 0.0 108.824 -179.815 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -104.55 165.5 11.02 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.183 0.927 . . . . 0.0 109.856 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.768 HG13 ' CE2' ' A' ' 36' ' ' PHE . 21.1 t -48.62 -49.94 13.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.028 0.83 . . . . 0.0 111.944 -179.684 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -54.06 -42.04 68.81 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.234 0.959 . . . . 0.0 111.309 -178.761 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 5.9 mm100 -62.4 -54.17 44.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.385 1.053 . . . . 0.0 110.402 -179.666 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.76 -0.34 13.02 Favored 'General case' 0 C--N 1.328 -0.368 0 O-C-N 124.605 1.191 . . . . 0.0 113.186 -179.412 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.428 ' HA ' ' HD3' ' A' ' 22' ' ' ARG . 14.2 tpp85 -83.32 -45.99 13.12 Favored 'General case' 0 C--N 1.322 -0.62 0 O-C-N 124.465 1.103 . . . . 0.0 109.669 -179.822 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -77.34 -22.98 51.0 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 114.726 -1.125 . . . . 0.0 110.829 -179.617 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 40.8 t80 -71.53 -50.04 35.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.389 1.056 . . . . 0.0 111.957 -179.478 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.582 ' CD2' HG21 ' A' ' 34' ' ' VAL . 22.0 m-30 -72.38 -25.61 61.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.372 1.045 . . . . 0.0 111.793 -179.633 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 17.1 m -74.17 -32.37 63.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.321 1.013 . . . . 0.0 111.153 -179.752 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 19.1 mt -92.06 -46.1 7.96 Favored 'General case' 0 N--CA 1.45 -0.446 0 N-CA-C 113.971 1.1 . . . . 0.0 113.971 -178.227 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 18.5 m170 -85.53 -36.52 20.43 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 113.49 0.922 . . . . 0.0 113.49 -178.129 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -123.83 62.66 26.96 Favored Pre-proline 0 C--O 1.241 0.631 0 N-CA-C 115.074 1.509 . . . . 0.0 115.074 -178.153 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 13.0 Cg_endo -70.8 -2.07 10.33 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 123.618 1.325 . . . . 0.0 113.297 -179.543 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -107.09 18.24 21.98 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.338 1.024 . . . . 0.0 111.358 179.84 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . 0.275 3.1 m-85 -129.53 122.26 28.85 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.108 -0.951 . . . . 0.0 110.079 -179.157 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -87.57 97.96 11.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.318 1.011 . . . . 0.0 108.572 178.366 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.582 HG21 ' CD2' ' A' ' 25' ' ' PHE . 3.4 t -84.86 151.55 3.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.905 -179.573 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.479 ' CG ' ' NH1' ' A' ' 53' ' ' ARG . 45.6 m-85 -139.78 131.78 27.83 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.362 1.039 . . . . 0.0 110.801 179.663 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.768 ' CE2' HG13 ' A' ' 18' ' ' VAL . 50.2 m-85 -103.39 134.08 47.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.316 1.01 . . . . 0.0 111.009 -179.807 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.457 HD23 ' O ' ' A' ' 36' ' ' PHE . 0.2 OUTLIER -146.25 162.03 36.56 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.333 1.021 . . . . 0.0 109.12 -179.934 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -77.12 147.93 26.9 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.517 1.798 . . . . 0.0 110.638 179.355 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.413 ' HB3' ' CD2' ' A' ' 65' ' ' HIS . 1.6 pm0 -50.81 137.9 19.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.104 . . . . 0.0 111.263 -179.831 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.42 ' C ' ' CD ' ' A' ' 42' ' ' PRO . . . 82.02 16.97 70.91 Favored Glycine 0 CA--C 1.528 0.888 0 O-C-N 124.318 1.011 . . . . 0.0 113.533 179.227 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.455 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 24.3 p -106.7 38.15 0.08 OUTLIER Pre-proline 0 C--O 1.25 1.096 0 N-CA-C 118.351 2.723 . . . . 0.0 118.351 179.431 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.455 ' CD ' ' N ' ' A' ' 41' ' ' SER . 12.4 Cg_endo -65.44 140.46 63.53 Favored 'Trans proline' 0 C--N 1.359 1.088 0 C-N-CA 121.346 1.364 . . . . 0.0 110.54 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.544 HG13 ' N ' ' A' ' 44' ' ' THR . 0.8 OUTLIER -120.12 -159.25 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 109.412 -179.823 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.544 ' N ' HG13 ' A' ' 43' ' ' VAL . 1.6 p -81.76 98.27 8.37 Favored 'General case' 0 N--CA 1.449 -0.475 0 O-C-N 125.066 1.479 . . . . 0.0 110.563 178.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 23.8 mt -119.73 96.54 5.23 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 179.62 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.24 -55.47 24.6 Favored 'General case' 0 N--CA 1.446 -0.625 0 O-C-N 124.593 1.183 . . . . 0.0 110.693 -179.453 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.737 HD21 ' CZ ' ' A' ' 49' ' ' TYR . 0.1 OUTLIER 176.55 82.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.032 0.833 . . . . 0.0 109.786 179.756 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.74 ' HB2' ' OXT' ' A' ' 70' ' ' GLY . 16.6 mmt180 -90.7 121.44 32.6 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.253 0.971 . . . . 0.0 109.821 179.614 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.737 ' CZ ' HD21 ' A' ' 47' ' ' LEU . 15.7 m-30 -83.85 -42.06 16.81 Favored 'General case' 0 CA--C 1.537 0.471 0 O-C-N 124.411 1.07 . . . . 0.0 111.707 -179.37 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -93.5 -11.75 31.26 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.842 1.339 . . . . 0.0 112.621 -178.673 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.499 HH21 ' HD2' ' A' ' 48' ' ' ARG . 2.4 ttp180 -91.44 109.67 20.96 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.008 0.818 . . . . 0.0 111.328 -179.387 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 1.115 ' CG2' HG22 ' A' ' 69' ' ' VAL . 84.1 t -107.53 121.56 60.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 O-C-N 124.301 1.001 . . . . 0.0 109.511 179.642 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.479 ' NH1' ' CG ' ' A' ' 35' ' ' TYR . 9.6 mmm180 -88.47 142.87 27.36 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.035 -0.984 . . . . 0.0 111.409 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 61.7 t -130.96 154.54 40.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.326 1.016 . . . . 0.0 108.945 179.802 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.437 ' HB2' ' HB2' ' A' ' 65' ' ' HIS . 14.5 m-85 -127.46 137.26 52.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.591 1.182 . . . . 0.0 111.594 -179.775 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 12.1 p90 -146.5 168.45 21.17 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.367 1.042 . . . . 0.0 110.694 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -98.72 131.25 26.1 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.496 1.122 . . . . 0.0 109.881 -179.686 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 27.7 Cg_endo -79.0 7.42 4.36 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.42 1.747 . . . . 0.0 112.553 179.688 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -88.88 -74.63 1.29 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.184 0.927 . . . . 0.0 110.786 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.439 HG23 HG23 ' A' ' 62' ' ' VAL . 15.4 t -97.03 2.8 51.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 0.743 . . . . 0.0 112.402 179.761 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 10.7 m-80 60.69 61.32 1.72 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 123.934 0.771 . . . . 0.0 110.029 179.636 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.439 HG23 HG23 ' A' ' 60' ' ' THR . 69.3 t -142.04 151.26 18.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 O-C-N 124.417 1.073 . . . . 0.0 109.309 179.693 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 99.0 t -83.51 138.18 19.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.364 1.04 . . . . 0.0 109.83 -179.777 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 37.4 p30 -141.74 25.11 2.0 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.538 1.149 . . . . 0.0 109.541 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.437 ' HB2' ' HB2' ' A' ' 55' ' ' PHE . 71.7 m-70 -148.53 128.74 13.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.436 1.085 . . . . 0.0 109.541 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 38.5 t -60.66 114.52 10.47 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.142 . . . . 0.0 109.388 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -74.85 147.75 35.06 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.51 1.795 . . . . 0.0 110.956 179.512 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -147.96 162.5 39.2 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.433 1.083 . . . . 0.0 110.065 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 1.115 HG22 ' CG2' ' A' ' 52' ' ' VAL . 55.3 t -87.8 145.76 7.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 114.907 -1.042 . . . . 0.0 109.302 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.74 ' OXT' ' HB2' ' A' ' 48' ' ' ARG . . . . . . . . 0 CA--C 1.53 0.993 0 O-C-N 124.515 1.134 . . . . 0.0 110.966 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . 0.495 HG23 ' HG3' ' A' ' 2' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 CA-C-O 120.539 0.209 . . . . 0.0 110.47 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.495 ' HG3' HG23 ' A' ' 1' ' ' THR . 5.3 mt-10 -137.46 155.33 49.44 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.106 . . . . 0.0 110.34 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 44.0 m-85 -88.88 -38.84 14.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.566 1.166 . . . . 0.0 110.95 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 82.81 4.05 90.22 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.432 1.082 . . . . 0.0 112.957 179.734 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.2 t -148.09 -178.15 6.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.215 0.597 . . . . 0.0 110.052 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -135.73 124.83 24.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 110.085 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.4 mt -121.55 164.62 16.95 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.459 1.099 . . . . 0.0 109.644 -179.74 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.417 ' HB2' ' HB ' ' A' ' 69' ' ' VAL . 7.9 mtpm? -61.87 103.72 0.38 Allowed 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.475 1.109 . . . . 0.0 109.323 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 54.4 p -127.59 143.54 51.16 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.539 1.15 . . . . 0.0 109.841 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -124.22 99.55 37.06 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.534 1.146 . . . . 0.0 110.763 179.754 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -73.46 -7.05 19.79 Favored 'Trans proline' 0 C--N 1.364 1.351 0 O-C-N 124.199 1.631 . . . . 0.0 112.776 -179.578 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 65.9 tt0 -72.76 -19.95 61.27 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.177 0.923 . . . . 0.0 111.113 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 3.4 t -94.15 36.9 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.298 0.999 . . . . 0.0 109.675 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 7.0 t -102.6 111.69 33.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.189 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 116.25 -15.3 15.56 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.456 1.097 . . . . 0.0 112.007 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 11.6 mptt -71.76 161.04 31.58 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 179.776 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.731 HG22 HG22 ' A' ' 62' ' ' VAL . 82.6 p -97.45 165.19 12.12 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.536 1.147 . . . . 0.0 109.553 178.265 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.441 HG23 ' H ' ' A' ' 18' ' ' VAL . 13.4 t -50.48 -47.35 27.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.258 0.974 . . . . 0.0 110.414 179.786 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -64.87 -37.24 86.97 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 114.947 -1.024 . . . . 0.0 111.339 -179.542 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.2 -53.85 49.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.66 -179.809 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -74.38 -1.43 20.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.531 1.144 . . . . 0.0 113.242 -179.467 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -80.47 -45.72 17.08 Favored 'General case' 0 C--N 1.322 -0.614 0 O-C-N 124.464 1.102 . . . . 0.0 109.746 179.706 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -75.37 -30.14 60.1 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 114.627 -1.169 . . . . 0.0 111.127 -179.463 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 62.0 t80 -68.67 -48.61 63.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.364 1.04 . . . . 0.0 111.783 -179.649 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -71.86 -27.46 62.89 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.59 1.181 . . . . 0.0 112.674 -179.286 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 23.6 m -78.58 -32.79 47.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.237 0.96 . . . . 0.0 112.599 -179.276 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 12.6 mt -84.58 -47.69 10.29 Favored 'General case' 0 N--CA 1.45 -0.444 0 N-CA-C 113.817 1.043 . . . . 0.0 113.817 -178.237 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 32.7 m-70 -87.85 -33.75 18.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.069 0.856 . . . . 0.0 113.139 -177.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 50.6 m-85 -124.69 56.61 12.99 Favored Pre-proline 0 C--N 1.324 -0.528 0 N-CA-C 114.052 1.13 . . . . 0.0 114.052 -178.386 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -69.11 -6.41 18.21 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.025 1.54 . . . . 0.0 112.914 -179.375 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -98.43 15.38 24.98 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.154 0.909 . . . . 0.0 111.912 -179.834 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . 0.257 1.1 m-30 -123.48 131.97 53.79 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.277 -0.874 . . . . 0.0 109.51 179.399 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -89.66 97.57 11.27 Favored 'General case' 0 C--N 1.323 -0.571 0 O-C-N 124.568 1.168 . . . . 0.0 108.61 178.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.606 HG22 ' HB ' ' A' ' 52' ' ' VAL . 2.6 t -87.81 151.0 3.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 -179.324 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 17.2 m-85 -137.33 107.86 6.54 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.272 0.982 . . . . 0.0 110.877 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.484 ' O ' HD23 ' A' ' 37' ' ' LEU . 38.4 m-85 -91.37 110.01 21.31 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.293 0.995 . . . . 0.0 110.84 179.7 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.494 ' CB ' ' CD ' ' A' ' 38' ' ' PRO . 0.2 OUTLIER -144.81 179.42 1.17 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.248 0.968 . . . . 0.0 108.974 -179.935 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.494 ' CD ' ' CB ' ' A' ' 37' ' ' LEU . 1.8 Cg_endo -68.71 155.53 68.48 Favored 'Trans proline' 0 C--N 1.358 1.077 0 O-C-N 124.522 1.801 . . . . 0.0 110.49 179.524 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.1 pm0 -86.26 146.66 26.43 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 114.791 -1.095 . . . . 0.0 112.462 -178.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 74.3 10.29 81.74 Favored Glycine 0 CA--C 1.527 0.84 0 CA-C-N 115.06 -0.973 . . . . 0.0 113.152 179.34 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.478 ' CB ' ' HD3' ' A' ' 42' ' ' PRO . 0.6 OUTLIER -88.66 -55.8 0.31 Allowed Pre-proline 0 N--CA 1.452 -0.358 0 O-C-N 124.395 0.703 . . . . 0.0 111.153 178.053 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.478 ' HD3' ' CB ' ' A' ' 41' ' ' SER . 36.7 Cg_endo -84.95 173.68 7.91 Favored 'Trans proline' 0 C--N 1.358 1.056 0 O-C-N 124.21 1.637 . . . . 0.0 110.918 -179.503 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.428 HG13 ' HG ' ' A' ' 45' ' ' LEU . 0.2 OUTLIER -131.29 176.22 9.4 Favored 'Isoleucine or valine' 0 C--O 1.241 0.62 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 179.524 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 30.6 p -94.03 48.77 1.28 Allowed 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 122.478 1.132 . . . . 0.0 108.179 179.028 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.428 ' HG ' HG13 ' A' ' 43' ' ' VAL . 47.1 mt -49.72 -53.49 24.47 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-N 113.193 -1.822 . . . . 0.0 109.73 -179.506 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -109.35 -173.53 2.29 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-N 114.64 -1.164 . . . . 0.0 110.003 -179.079 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 11.7 tp -130.01 73.73 1.55 Allowed 'General case' 0 C--N 1.327 -0.384 0 O-C-N 124.284 0.99 . . . . 0.0 109.729 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.472 ' HG3' ' CZ ' ' A' ' 51' ' ' ARG . 10.4 mmm180 -89.58 93.78 9.61 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 114.904 -1.044 . . . . 0.0 110.055 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 33.9 m-85 -68.03 -30.07 69.21 Favored 'General case' 0 CA--C 1.536 0.408 0 O-C-N 124.256 0.972 . . . . 0.0 111.07 -179.451 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -88.73 -12.46 42.18 Favored 'General case' 0 C--N 1.323 -0.56 0 O-C-N 124.603 1.189 . . . . 0.0 111.833 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.472 ' CZ ' ' HG3' ' A' ' 48' ' ' ARG . 7.1 ttp180 -104.24 117.15 33.54 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 123.981 0.801 . . . . 0.0 109.417 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.606 ' HB ' HG22 ' A' ' 34' ' ' VAL . 0.3 OUTLIER -97.81 140.89 16.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 O-C-N 124.458 1.099 . . . . 0.0 110.04 -179.579 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 1.278 ' NH2' ' OXT' ' A' ' 70' ' ' GLY . 0.0 OUTLIER -118.21 92.29 3.79 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 124.524 1.14 . . . . 0.0 109.338 179.441 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.448 HG11 ' CE1' ' A' ' 36' ' ' PHE . 86.5 t -86.9 148.73 4.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.731 1.27 . . . . 0.0 109.974 -179.61 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.503 ' O ' HG13 ' A' ' 63' ' ' VAL . 22.0 m-30 -118.72 144.54 46.17 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.521 1.138 . . . . 0.0 110.89 179.801 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.411 ' CD1' ' C ' ' A' ' 56' ' ' TYR . 8.8 p90 -145.31 163.21 35.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.66 1.225 . . . . 0.0 110.304 179.554 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -101.6 108.3 55.08 Favored Pre-proline 0 C--N 1.324 -0.542 0 O-C-N 124.624 1.202 . . . . 0.0 108.558 -179.527 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -60.05 -11.97 17.46 Favored 'Trans proline' 0 C--N 1.362 1.264 0 O-C-N 124.387 1.73 . . . . 0.0 113.058 -178.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -58.34 -67.36 2.24 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.314 1.009 . . . . 0.0 110.898 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.482 ' O ' HG23 ' A' ' 62' ' ' VAL . 13.3 t -112.22 19.56 17.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.553 0.796 . . . . 0.0 111.035 179.684 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 62.9 m-20 50.82 44.26 28.07 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.522 -0.763 . . . . 0.0 111.458 179.048 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.731 HG22 HG22 ' A' ' 17' ' ' THR . 64.2 t -125.37 146.64 30.74 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.37 0 O-C-N 124.302 1.001 . . . . 0.0 109.835 179.434 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.503 HG13 ' O ' ' A' ' 55' ' ' PHE . 95.3 t -86.11 128.51 39.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.596 1.185 . . . . 0.0 109.841 179.836 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -134.33 28.43 3.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.854 1.346 . . . . 0.0 109.256 179.548 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.413 ' HB2' ' HB2' ' A' ' 55' ' ' PHE . 54.4 m80 -139.0 124.2 19.09 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 114.777 -1.101 . . . . 0.0 109.25 179.494 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 24.9 t -63.14 113.83 10.67 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.804 1.315 . . . . 0.0 108.845 179.606 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 27.3 Cg_endo -75.8 146.47 29.92 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.561 1.822 . . . . 0.0 110.781 -179.445 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -142.71 163.25 33.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 110.109 -179.673 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.417 ' HB ' ' HB2' ' A' ' 8' ' ' LYS . 1.7 t -87.0 147.84 5.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.405 1.066 . . . . 0.0 109.335 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 1.278 ' OXT' ' NH2' ' A' ' 53' ' ' ARG . . . . . . . . 0 CA--C 1.53 1.008 0 O-C-N 124.468 1.105 . . . . 0.0 110.961 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . 0.44 HG23 ' H ' ' A' ' 2' ' ' GLU . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 110.344 -0.243 . . . . 0.0 110.344 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.44 ' H ' HG23 ' A' ' 1' ' ' THR . 2.8 mt-10 -133.61 -160.2 1.03 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 110.335 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -145.48 -152.25 0.42 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 110.92 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 136.95 -4.64 3.57 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.442 1.089 . . . . 0.0 112.914 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.8 t -150.36 157.87 43.53 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.151 0.559 . . . . 0.0 109.981 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -134.92 90.67 2.67 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.519 1.137 . . . . 0.0 110.247 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -103.3 67.32 0.92 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.437 1.085 . . . . 0.0 109.421 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 7.2 mttt -61.49 115.67 4.08 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.52 1.138 . . . . 0.0 109.226 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 9.3 m -148.46 128.62 13.7 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.5 1.125 . . . . 0.0 109.991 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -125.97 101.19 29.49 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 110.815 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 26.4 Cg_endo -74.44 -5.3 16.72 Favored 'Trans proline' 0 C--N 1.362 1.283 0 O-C-N 124.237 1.651 . . . . 0.0 112.877 -179.662 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -78.33 6.07 9.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.017 0.823 . . . . 0.0 112.368 -179.387 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.467 ' HB ' ' CG ' ' A' ' 67' ' ' PRO . 26.6 t -93.14 -21.67 6.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 123.902 0.751 . . . . 0.0 110.279 -179.843 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 14.0 t -68.67 113.42 4.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.374 1.046 . . . . 0.0 109.467 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 124.71 -35.21 3.23 Favored Glycine 0 CA--C 1.529 0.915 0 O-C-N 124.402 1.064 . . . . 0.0 111.055 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 15.6 mtmt -74.9 -173.5 1.92 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.398 0.705 . . . . 0.0 109.13 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.556 HG22 HG22 ' A' ' 62' ' ' VAL . 68.7 p -115.65 165.11 13.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.433 1.083 . . . . 0.0 109.932 179.694 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.438 HG23 ' H ' ' A' ' 18' ' ' VAL . 7.6 t -50.3 -50.15 21.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 O-C-N 124.263 0.977 . . . . 0.0 111.161 179.63 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -55.07 -37.75 67.16 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.197 -0.91 . . . . 0.0 113.17 -178.262 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 4.5 mm-40 -62.01 -54.64 38.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.324 1.015 . . . . 0.0 109.736 -179.778 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.69 -3.58 15.87 Favored 'General case' 0 C--N 1.327 -0.399 0 O-C-N 124.802 1.314 . . . . 0.0 113.485 -179.125 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.448 HH21 ' HD2' ' A' ' 36' ' ' PHE . 5.5 tpp85 -80.9 -45.69 16.39 Favored 'General case' 0 C--N 1.32 -0.7 0 O-C-N 124.793 1.308 . . . . 0.0 109.272 179.474 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -75.97 -34.23 59.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 114.516 -1.22 . . . . 0.0 110.135 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 59.4 t80 -55.65 -53.77 52.46 Favored 'General case' 0 C--N 1.327 -0.397 0 O-C-N 124.415 1.072 . . . . 0.0 111.153 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.527 ' CD2' HG21 ' A' ' 34' ' ' VAL . 5.3 m-85 -66.75 -28.22 68.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.621 1.201 . . . . 0.0 111.446 -179.817 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 20.9 m -71.05 -30.83 67.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.21 0.944 . . . . 0.0 110.553 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 15.9 mt -87.57 -45.91 10.02 Favored 'General case' 0 N--CA 1.449 -0.493 0 N-CA-C 114.058 1.133 . . . . 0.0 114.058 -178.292 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -86.02 -49.46 7.8 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 113.402 0.89 . . . . 0.0 113.402 -178.012 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 10.0 m-85 -119.61 75.22 18.36 Favored Pre-proline 0 C--N 1.324 -0.517 0 N-CA-C 115.031 1.493 . . . . 0.0 115.031 -178.429 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -79.36 8.55 3.83 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 123.91 1.479 . . . . 0.0 112.994 179.536 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 6.0 pm0 -118.92 23.16 11.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.198 0.936 . . . . 0.0 110.176 179.691 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 1.2 m-30 -121.56 131.23 54.01 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 114.858 -1.065 . . . . 0.0 109.879 179.723 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 36.4 t0 -88.05 98.08 11.33 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.461 1.101 . . . . 0.0 108.389 178.444 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.527 HG21 ' CD2' ' A' ' 25' ' ' PHE . 2.9 t -85.31 149.27 4.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.564 1.165 . . . . 0.0 110.329 -179.319 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -139.66 104.96 5.04 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 114.889 -1.051 . . . . 0.0 110.508 179.498 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.501 ' CD1' ' HB ' ' A' ' 54' ' ' VAL . 22.7 m-85 -91.23 126.15 36.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 110.873 179.791 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.1 mt -139.2 161.42 57.65 Favored Pre-proline 0 C--N 1.324 -0.54 0 O-C-N 124.364 1.04 . . . . 0.0 108.663 179.717 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.444 ' HB2' ' HG3' ' A' ' 58' ' ' PRO . 41.8 Cg_endo -89.52 57.19 1.89 Allowed 'Trans proline' 0 C--N 1.356 0.956 0 O-C-N 124.636 1.861 . . . . 0.0 112.039 -178.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -175.25 138.01 0.41 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.563 1.164 . . . . 0.0 112.446 179.491 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.421 ' HA2' ' CD2' ' A' ' 55' ' ' PHE . . . -121.25 24.85 7.21 Favored Glycine 0 CA--C 1.53 0.972 0 CA-C-N 114.618 -1.174 . . . . 0.0 111.399 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.444 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 1.2 t -87.14 -46.98 0.5 Allowed Pre-proline 0 C--O 1.241 0.654 0 N-CA-C 114.773 1.397 . . . . 0.0 114.773 179.328 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.444 ' CD ' ' N ' ' A' ' 41' ' ' SER . 8.2 Cg_exo -51.73 142.44 41.16 Favored 'Trans proline' 0 C--N 1.357 1.025 0 O-C-N 123.67 1.353 . . . . 0.0 110.126 -179.5 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.533 HG13 ' N ' ' A' ' 44' ' ' THR . 0.6 OUTLIER -87.83 -157.45 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.448 -0.535 0 CA-C-N 114.72 -1.127 . . . . 0.0 111.13 -179.061 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.533 ' N ' HG13 ' A' ' 43' ' ' VAL . 23.5 p -95.52 43.59 1.09 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 113.942 -1.481 . . . . 0.0 109.133 179.363 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.527 ' HG ' HG12 ' A' ' 43' ' ' VAL . 31.3 mt -48.37 -42.13 30.75 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 113.655 -1.611 . . . . 0.0 110.895 -179.783 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -79.28 162.78 25.42 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.4 1.063 . . . . 0.0 110.627 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 14.7 tp -123.92 74.87 1.31 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.164 -0.925 . . . . 0.0 109.33 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 1.099 ' O ' ' OXT' ' A' ' 70' ' ' GLY . 0.7 OUTLIER -132.29 112.41 12.2 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.388 1.055 . . . . 0.0 109.751 -179.582 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 37.9 m-85 -79.48 -26.3 41.66 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.164 0.915 . . . . 0.0 112.359 -179.304 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.7 p-10 -91.49 -7.59 50.04 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.328 1.017 . . . . 0.0 111.879 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.46 ' CB ' ' HB3' ' A' ' 48' ' ' ARG . 6.9 ttp180 -101.71 127.94 48.25 Favored 'General case' 0 C--N 1.322 -0.623 0 O-C-N 123.993 0.808 . . . . 0.0 109.845 -179.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.812 HG22 HG22 ' A' ' 69' ' ' VAL . 92.6 t -115.87 142.3 29.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.343 1.027 . . . . 0.0 110.255 -179.784 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 11.4 mtp180 -122.9 124.12 42.52 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 114.853 -1.067 . . . . 0.0 109.283 179.714 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 1.022 HG13 ' HB3' ' A' ' 67' ' ' PRO . 2.4 t -116.21 153.23 17.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.421 1.076 . . . . 0.0 110.784 -179.261 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.421 ' CD2' ' HA2' ' A' ' 40' ' ' GLY . 1.0 OUTLIER -121.48 136.24 54.97 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 114.815 -1.084 . . . . 0.0 110.312 179.436 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.436 ' CD1' ' C ' ' A' ' 56' ' ' TYR . 3.6 p90 -136.02 168.61 19.04 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.465 1.103 . . . . 0.0 110.445 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -91.8 118.35 68.23 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.208 0.942 . . . . 0.0 111.026 -178.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.444 ' HG3' ' HB2' ' A' ' 38' ' ' PRO . 34.4 Cg_endo -77.71 85.21 1.84 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.297 1.682 . . . . 0.0 110.937 179.225 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -166.84 -57.91 0.03 OUTLIER Glycine 0 CA--C 1.532 1.105 0 O-C-N 124.419 1.074 . . . . 0.0 110.75 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 15.4 t -130.59 6.97 4.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 0.787 . . . . 0.0 112.2 179.683 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 5.7 m120 70.26 72.88 0.22 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 123.844 0.715 . . . . 0.0 109.528 179.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.556 HG22 HG22 ' A' ' 17' ' ' THR . 9.9 t -144.19 126.74 11.18 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.321 0 O-C-N 124.629 1.206 . . . . 0.0 110.546 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.436 HG11 HG12 ' A' ' 13' ' ' VAL . 65.7 t -72.96 140.24 18.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.089 -0.96 . . . . 0.0 109.323 179.46 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -148.05 28.35 0.93 Allowed 'General case' 0 C--N 1.327 -0.385 0 O-C-N 124.436 1.085 . . . . 0.0 109.875 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.417 ' HB2' ' HB2' ' A' ' 55' ' ' PHE . 84.5 m-70 -149.51 125.79 10.79 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.42 1.075 . . . . 0.0 109.696 -179.815 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 45.6 t -54.68 110.41 2.14 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 109.305 179.77 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 1.022 ' HB3' HG13 ' A' ' 54' ' ' VAL . 22.5 Cg_endo -78.95 118.52 4.1 Favored 'Trans proline' 0 C--N 1.359 1.092 0 O-C-N 124.404 1.739 . . . . 0.0 110.917 179.584 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 5.2 p-80 -128.03 162.73 26.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.103 . . . . 0.0 109.547 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.812 HG22 HG22 ' A' ' 52' ' ' VAL . 20.4 t -97.55 160.21 3.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 0.0 109.601 -179.837 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 1.099 ' OXT' ' O ' ' A' ' 48' ' ' ARG . . . . . . . . 0 CA--C 1.53 1.02 0 O-C-N 124.451 1.095 . . . . 0.0 110.989 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 57.1 p . . . . . 0 N--CA 1.453 -0.278 0 CA-C-O 120.541 0.21 . . . . 0.0 110.577 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 33.4 mm-40 -69.54 -154.76 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.447 1.092 . . . . 0.0 110.326 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.415 ' CD1' ' N ' ' A' ' 3' ' ' PHE . 2.1 m-85 -74.82 -26.09 59.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.143 . . . . 0.0 110.769 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -96.21 9.23 67.47 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.412 1.07 . . . . 0.0 112.744 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.2 t -50.8 102.31 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.288 0.64 . . . . 0.0 111.021 -179.516 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.482 ' C ' HD23 ' A' ' 7' ' ' LEU . 17.8 mt-10 -153.94 179.91 8.46 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.459 1.099 . . . . 0.0 110.264 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.482 HD23 ' C ' ' A' ' 6' ' ' GLU . 6.0 mt -100.77 158.6 15.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.408 1.067 . . . . 0.0 109.179 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.499 ' O ' HG23 ' A' ' 69' ' ' VAL . 5.1 mmtt -63.21 111.97 2.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.462 1.102 . . . . 0.0 109.164 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.8 m -143.79 147.93 34.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.623 1.202 . . . . 0.0 109.913 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -122.49 96.23 46.06 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.139 . . . . 0.0 110.914 -179.825 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_endo -73.15 -7.09 20.05 Favored 'Trans proline' 0 C--N 1.365 1.441 0 O-C-N 124.017 1.536 . . . . 0.0 112.75 -179.182 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -73.5 -22.24 60.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.196 0.935 . . . . 0.0 110.56 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -99.48 29.62 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.333 1.021 . . . . 0.0 109.945 -179.739 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.546 HG21 HG22 ' A' ' 66' ' ' VAL . 15.5 t -101.46 108.72 24.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.436 1.085 . . . . 0.0 109.146 179.72 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 122.72 -21.14 7.61 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.561 1.163 . . . . 0.0 110.907 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 37.2 mttm -76.06 160.95 29.29 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.691 0.877 . . . . 0.0 108.64 -179.702 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.488 HG22 HG22 ' A' ' 62' ' ' VAL . 81.4 p -89.93 166.36 13.53 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.092 0.87 . . . . 0.0 111.037 -179.875 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.642 HG13 ' CE2' ' A' ' 36' ' ' PHE . 2.5 t -47.49 -60.48 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.641 1.213 . . . . 0.0 111.659 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -51.78 -36.98 49.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.112 0.882 . . . . 0.0 111.286 -179.131 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 11.8 mm-40 -64.85 -50.01 68.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.266 0.979 . . . . 0.0 110.537 -179.564 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.2 -3.5 17.22 Favored 'General case' 0 N--CA 1.452 -0.346 0 O-C-N 124.591 1.182 . . . . 0.0 113.0 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.6 tpm_? -83.19 -46.6 12.52 Favored 'General case' 0 C--N 1.321 -0.641 0 O-C-N 124.618 1.198 . . . . 0.0 109.74 179.761 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -68.79 -27.8 66.2 Favored 'General case' 0 N--CA 1.452 -0.356 0 O-C-N 124.649 1.218 . . . . 0.0 110.108 179.791 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 85.3 t80 -73.45 -51.32 17.61 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.557 1.161 . . . . 0.0 111.75 -179.735 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -70.54 -23.23 62.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 111.888 -179.514 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 3.4 m -78.42 -34.85 47.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.441 1.088 . . . . 0.0 112.379 -179.404 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 14.3 mt -83.86 -46.37 12.23 Favored 'General case' 0 N--CA 1.45 -0.435 0 O-C-N 124.102 0.877 . . . . 0.0 113.308 -178.475 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.476 ' HB2' ' CD1' ' A' ' 29' ' ' TYR . 21.7 m80 -85.12 -36.48 21.08 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.196 0.935 . . . . 0.0 112.912 -178.485 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.476 ' CD1' ' HB2' ' A' ' 28' ' ' HIS . 45.1 m-85 -125.12 60.63 29.67 Favored Pre-proline 0 C--N 1.323 -0.572 0 N-CA-C 114.878 1.436 . . . . 0.0 114.878 -178.225 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_endo -70.09 -2.42 10.37 Favored 'Trans proline' 0 C--N 1.359 1.099 0 O-C-N 123.768 1.404 . . . . 0.0 112.892 179.562 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -105.16 17.79 23.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.228 0.955 . . . . 0.0 111.581 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.414 ' CD2' HG23 ' A' ' 52' ' ' VAL 0.257 3.5 m-85 -124.3 128.81 49.69 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.203 -0.908 . . . . 0.0 110.126 179.837 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -87.23 98.46 11.33 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 177.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 3.9 t -83.47 151.43 3.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.516 1.135 . . . . 0.0 110.39 -179.362 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -136.92 127.41 26.75 Favored 'General case' 0 C--N 1.329 -0.312 0 O-C-N 124.422 1.076 . . . . 0.0 110.875 179.495 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.642 ' CE2' HG13 ' A' ' 18' ' ' VAL . 8.1 m-85 -100.74 130.91 46.84 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.255 0.972 . . . . 0.0 110.62 179.704 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.412 HD11 ' HE1' ' A' ' 55' ' ' PHE . 0.6 OUTLIER -147.37 153.46 44.23 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.38 1.05 . . . . 0.0 109.3 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -77.31 154.36 32.03 Favored 'Trans proline' 0 C--N 1.359 1.098 0 O-C-N 124.409 1.741 . . . . 0.0 111.241 -179.544 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.419 ' HG2' ' N ' ' A' ' 40' ' ' GLY . 81.5 tt0 -52.83 163.67 0.45 Allowed 'General case' 0 C--N 1.329 -0.316 0 O-C-N 124.7 1.25 . . . . 0.0 109.69 179.575 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.419 ' N ' ' HG2' ' A' ' 39' ' ' GLU . . . 108.41 -4.86 33.18 Favored Glycine 0 CA--C 1.527 0.823 0 N-CA-C 116.32 1.288 . . . . 0.0 116.32 178.448 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.438 ' HB2' ' HD2' ' A' ' 42' ' ' PRO . 3.0 p -87.48 160.51 47.79 Favored Pre-proline 0 C--O 1.238 0.453 0 C-N-CA 120.015 -0.674 . . . . 0.0 109.184 177.743 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.438 ' HD2' ' HB2' ' A' ' 41' ' ' SER . 36.9 Cg_endo -62.84 -97.24 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.097 0 O-C-N 124.265 1.666 . . . . 0.0 111.793 -179.557 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -151.18 170.36 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 123.907 0.754 . . . . 0.0 109.426 -178.345 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.8 p -73.65 91.75 1.9 Allowed 'General case' 0 CA--C 1.534 0.332 0 O-C-N 124.699 1.249 . . . . 0.0 108.529 177.415 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 85.7 mt -76.18 -66.92 0.74 Allowed 'General case' 0 C--O 1.239 0.542 0 CA-C-N 114.884 -1.053 . . . . 0.0 113.426 -177.3 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.65 153.49 2.33 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.468 -179.703 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.442 HD21 ' HE2' ' A' ' 49' ' ' TYR . 3.2 tp -98.17 87.64 3.98 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 114.841 -1.072 . . . . 0.0 109.708 -179.696 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.469 ' HB3' ' CB ' ' A' ' 51' ' ' ARG . 0.1 OUTLIER -123.92 92.93 3.78 Favored 'General case' 0 CA--C 1.54 0.591 0 O-C-N 124.452 1.095 . . . . 0.0 109.106 179.36 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.442 ' HE2' HD21 ' A' ' 47' ' ' LEU . 68.3 m-85 -68.24 -27.15 66.11 Favored 'General case' 0 N--CA 1.451 -0.412 0 O-C-N 124.539 1.149 . . . . 0.0 112.588 -178.86 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -86.55 -12.76 47.84 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.608 1.192 . . . . 0.0 111.659 179.554 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.805 HH21 HH22 ' A' ' 53' ' ' ARG . 9.2 ttp180 -102.22 128.69 48.63 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 123.912 0.757 . . . . 0.0 109.852 -179.427 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.414 HG23 ' CD2' ' A' ' 32' ' ' TYR . 8.5 t -117.03 144.03 25.8 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.41 0 O-C-N 124.395 1.06 . . . . 0.0 109.239 179.342 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.805 HH22 HH21 ' A' ' 51' ' ' ARG . 0.3 OUTLIER -120.65 134.8 55.25 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 114.607 -1.178 . . . . 0.0 109.765 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.479 ' HB ' ' CD1' ' A' ' 36' ' ' PHE . 14.4 t -125.01 142.1 42.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.694 1.246 . . . . 0.0 109.221 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.412 ' HE1' HD11 ' A' ' 37' ' ' LEU . 22.4 m-30 -116.72 140.89 48.9 Favored 'General case' 0 N--CA 1.451 -0.419 0 O-C-N 124.562 1.164 . . . . 0.0 112.027 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 17.3 p90 -134.1 168.09 19.45 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 114.912 -1.04 . . . . 0.0 110.165 179.426 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.45 ' HA ' ' HD3' ' A' ' 58' ' ' PRO . 15.4 t-20 -84.22 141.16 39.73 Favored Pre-proline 0 C--N 1.325 -0.461 0 CA-C-N 115.402 -0.817 . . . . 0.0 111.957 -178.388 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.45 ' HD3' ' HA ' ' A' ' 57' ' ' ASN . 28.9 Cg_endo -78.43 81.35 2.77 Favored 'Trans proline' 0 C--N 1.366 1.491 0 O-C-N 123.885 1.466 . . . . 0.0 113.841 -179.163 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.41 ' C ' HG22 ' A' ' 60' ' ' THR . . . 127.25 55.82 0.13 Allowed Glycine 0 CA--C 1.529 0.957 0 N-CA-C 116.159 1.224 . . . . 0.0 116.159 178.181 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.41 HG22 ' C ' ' A' ' 59' ' ' GLY . 0.0 OUTLIER 168.05 -35.89 0.0 OUTLIER 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 123.745 0.818 . . . . 0.0 109.542 178.447 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 75.67 75.96 0.1 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 125.519 1.762 . . . . 0.0 109.114 -179.776 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.488 HG22 HG22 ' A' ' 17' ' ' THR . 74.2 t -144.19 134.86 21.03 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.39 0 CA-C-N 114.502 -1.226 . . . . 0.0 109.085 179.644 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 69.3 t -82.31 89.02 2.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 O-C-N 124.435 1.084 . . . . 0.0 109.223 179.785 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 47.0 p30 -97.36 20.92 10.8 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.444 1.09 . . . . 0.0 110.577 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 48.5 m-70 -138.46 123.98 19.56 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.313 1.008 . . . . 0.0 109.467 179.682 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.546 HG22 HG21 ' A' ' 14' ' ' VAL . 20.4 t -60.88 113.55 8.03 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.19 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_endo -78.1 149.85 25.73 Favored 'Trans proline' 0 C--N 1.359 1.091 0 O-C-N 124.52 1.8 . . . . 0.0 110.657 179.565 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 3.4 p-80 -145.51 162.64 36.92 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.367 1.042 . . . . 0.0 110.309 -179.723 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.499 HG23 ' O ' ' A' ' 8' ' ' LYS . 1.4 t -86.96 156.09 3.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 114.915 -1.039 . . . . 0.0 109.421 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 O-C-N 124.522 1.139 . . . . 0.0 111.109 -179.955 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 3.3 m . . . . . 0 N--CA 1.453 -0.302 0 CA-C-O 120.666 0.269 . . . . 0.0 110.337 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -77.73 -135.35 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.134 . . . . 0.0 109.766 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 84.8 m-85 57.15 -176.76 0.06 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 123.777 0.673 . . . . 0.0 111.128 -179.533 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -142.6 8.17 2.28 Favored Glycine 0 CA--C 1.528 0.891 0 O-C-N 124.425 1.078 . . . . 0.0 113.319 -178.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.7 t -52.54 155.63 2.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.31 0.653 . . . . 0.0 110.041 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -121.98 172.52 8.15 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.559 1.162 . . . . 0.0 109.807 179.646 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 16.3 mt 71.23 113.5 0.05 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.55 1.156 . . . . 0.0 109.561 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 9.8 mttt -75.56 87.58 2.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.382 1.051 . . . . 0.0 110.076 -179.488 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -151.42 148.55 28.24 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.096 -0.956 . . . . 0.0 109.333 -179.552 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -136.15 75.09 54.3 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.65 1.218 . . . . 0.0 111.049 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.474 ' HA ' HG13 ' A' ' 66' ' ' VAL . 19.4 Cg_endo -70.78 -15.48 33.27 Favored 'Trans proline' 0 C--N 1.368 1.574 0 O-C-N 123.509 1.268 . . . . 0.0 113.146 -179.162 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 19.7 tp10 -75.1 -17.38 60.45 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.032 0.832 . . . . 0.0 111.683 -179.637 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.552 HG13 ' HE2' ' A' ' 16' ' ' LYS . 1.3 t -91.23 48.82 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.245 0.966 . . . . 0.0 109.737 -179.579 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 1.6 t -120.26 130.5 74.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.352 1.032 . . . . 0.0 109.289 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 102.29 -20.8 43.64 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.531 1.145 . . . . 0.0 111.198 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.552 ' HE2' HG13 ' A' ' 13' ' ' VAL . 4.0 mtmt -75.24 -159.2 0.09 Allowed 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.658 -0.867 . . . . 0.0 108.658 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.683 HG22 HG22 ' A' ' 62' ' ' VAL . 31.0 p -129.81 168.45 16.55 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.392 1.058 . . . . 0.0 109.878 179.423 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.729 HG13 ' CE2' ' A' ' 36' ' ' PHE . 26.3 t -48.0 -49.31 11.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.431 1.082 . . . . 0.0 112.154 -179.468 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -54.05 -41.09 67.73 Favored 'General case' 0 C--O 1.239 0.533 0 N-CA-C 113.217 0.821 . . . . 0.0 113.217 -178.465 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 19.0 mm-40 -64.28 -50.52 67.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.17 0.919 . . . . 0.0 110.213 -179.401 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.11 -6.29 16.93 Favored 'General case' 0 N--CA 1.452 -0.335 0 O-C-N 124.662 1.226 . . . . 0.0 113.284 -179.59 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.662 ' HG3' HH11 ' A' ' 22' ' ' ARG . 3.2 tpm_? -81.28 -47.42 13.37 Favored 'General case' 0 C--N 1.321 -0.663 0 O-C-N 124.904 1.377 . . . . 0.0 109.335 179.368 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -75.68 -23.13 56.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 114.48 -1.236 . . . . 0.0 110.346 179.676 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 41.0 t80 -68.55 -49.35 60.19 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.344 1.027 . . . . 0.0 111.808 -179.65 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -70.29 -25.22 63.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 111.097 -179.762 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 31.2 m -69.91 -30.26 67.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.35 1.031 . . . . 0.0 110.378 179.833 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 18.3 mt -85.21 -46.46 11.04 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 114.226 1.195 . . . . 0.0 114.226 -178.222 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 22.5 m-70 -85.94 -52.62 5.61 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.067 0.854 . . . . 0.0 113.108 -178.116 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 49.2 m-85 -119.31 76.1 16.84 Favored Pre-proline 0 C--N 1.323 -0.546 0 N-CA-C 114.022 1.119 . . . . 0.0 114.022 -178.416 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_endo -82.63 12.39 2.91 Favored 'Trans proline' 0 C--N 1.358 1.055 0 O-C-N 123.925 1.487 . . . . 0.0 112.595 179.714 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -123.86 23.48 8.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.316 1.01 . . . . 0.0 110.157 179.781 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 1.2 m-30 -121.87 133.73 54.87 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 114.957 -1.019 . . . . 0.0 110.068 179.831 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -86.9 94.85 9.7 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 177.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.437 HG22 ' HB ' ' A' ' 52' ' ' VAL . 2.9 t -84.77 149.49 4.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.537 1.148 . . . . 0.0 111.003 -179.114 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.45 ' HE2' HH11 ' A' ' 51' ' ' ARG . 19.7 m-85 -133.14 162.16 32.48 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 114.864 -1.062 . . . . 0.0 110.47 179.388 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.729 ' CE2' HG13 ' A' ' 18' ' ' VAL . 28.4 m-85 -137.8 117.25 12.86 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.706 1.253 . . . . 0.0 111.088 -179.89 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.7 mt -133.6 160.52 68.29 Favored Pre-proline 0 C--N 1.323 -0.544 0 O-C-N 124.196 0.935 . . . . 0.0 108.88 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.428 ' HB3' ' HG3' ' A' ' 58' ' ' PRO . 19.2 Cg_endo -77.09 151.78 30.78 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.475 1.776 . . . . 0.0 111.46 -179.406 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.425 ' HG2' ' N ' ' A' ' 40' ' ' GLY . 83.8 tt0 -52.07 163.67 0.35 Allowed 'General case' 0 C--N 1.328 -0.329 0 O-C-N 124.758 1.286 . . . . 0.0 109.828 179.835 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.425 ' N ' ' HG2' ' A' ' 39' ' ' GLU . . . 109.99 -8.31 31.42 Favored Glycine 0 CA--C 1.527 0.805 0 N-CA-C 115.65 1.02 . . . . 0.0 115.65 178.554 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -89.09 154.31 49.43 Favored Pre-proline 0 C--O 1.238 0.494 0 C-N-CA 120.034 -0.666 . . . . 0.0 109.372 178.032 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 26.2 Cg_endo -60.68 -93.37 0.0 OUTLIER 'Trans proline' 0 C--N 1.358 1.067 0 O-C-N 124.075 1.566 . . . . 0.0 112.045 -179.849 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.542 HG13 ' N ' ' A' ' 44' ' ' THR . 1.1 p -151.69 -158.34 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 123.942 0.776 . . . . 0.0 109.037 -178.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.542 ' N ' HG13 ' A' ' 43' ' ' VAL . 0.9 OUTLIER -83.81 90.89 7.42 Favored 'General case' 0 N--CA 1.448 -0.542 0 O-C-N 124.983 1.427 . . . . 0.0 110.197 178.59 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 47.9 mt -72.92 -68.73 0.46 Allowed 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 115.012 -0.995 . . . . 0.0 111.949 -179.059 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -50.33 -30.98 13.3 Favored 'General case' 0 N--CA 1.447 -0.616 0 O-C-N 124.082 0.864 . . . . 0.0 110.849 -179.605 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.521 HD11 ' CE1' ' A' ' 49' ' ' TYR . 1.2 tp 64.11 99.14 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.31 1.006 . . . . 0.0 110.942 179.46 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.466 ' HB3' ' CB ' ' A' ' 51' ' ' ARG . 0.0 OUTLIER -127.24 115.95 19.83 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 114.787 -1.097 . . . . 0.0 108.8 179.314 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.521 ' CE1' HD11 ' A' ' 47' ' ' LEU . 3.2 m-85 -65.81 -40.94 92.33 Favored 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 114.559 1.318 . . . . 0.0 114.559 -177.569 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.9 p-10 -88.71 -12.98 40.76 Favored 'General case' 0 C--N 1.323 -0.575 0 O-C-N 124.783 1.302 . . . . 0.0 112.1 -179.415 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.466 ' CB ' ' HB3' ' A' ' 48' ' ' ARG . 8.7 ttm180 -97.87 114.4 26.45 Favored 'General case' 0 C--N 1.323 -0.584 0 O-C-N 124.117 0.885 . . . . 0.0 109.751 -179.868 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.855 HG22 HG22 ' A' ' 69' ' ' VAL . 48.7 t -107.11 112.33 39.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.376 1.048 . . . . 0.0 110.345 -179.79 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.494 ' HD3' HG22 ' A' ' 44' ' ' THR . 13.3 mtp180 -88.71 119.12 28.89 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.057 -0.974 . . . . 0.0 110.527 179.589 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 11.3 t -104.53 157.1 5.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.222 0.951 . . . . 0.0 110.126 -179.337 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.428 ' HB2' ' HB2' ' A' ' 65' ' ' HIS . 10.6 m-85 -126.77 134.1 50.68 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 114.886 -1.052 . . . . 0.0 110.826 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 20.1 p90 -137.58 166.01 24.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.319 1.012 . . . . 0.0 110.365 179.713 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -92.68 123.62 61.21 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.511 -179.517 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.428 ' HG3' ' HB3' ' A' ' 38' ' ' PRO . 32.9 Cg_endo -81.3 10.37 3.46 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.345 1.708 . . . . 0.0 112.475 -179.582 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -89.22 -64.36 1.29 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.234 0.959 . . . . 0.0 110.925 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 14.9 t -112.09 5.57 18.7 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.496 0.762 . . . . 0.0 112.399 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 16.6 m-80 64.91 66.74 0.56 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 123.934 0.771 . . . . 0.0 109.478 179.693 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.683 HG22 HG22 ' A' ' 17' ' ' THR . 23.0 t -145.34 135.71 18.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 O-C-N 124.497 1.123 . . . . 0.0 110.052 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 95.1 t -73.72 139.19 19.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.428 1.08 . . . . 0.0 109.034 179.141 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -148.02 29.48 0.89 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.446 1.091 . . . . 0.0 110.079 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.428 ' HB2' ' HB2' ' A' ' 55' ' ' PHE . 85.6 m-70 -148.51 125.65 11.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.372 1.045 . . . . 0.0 109.793 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.474 HG13 ' HA ' ' A' ' 11' ' ' PRO . 12.9 t -66.09 113.64 13.19 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.584 1.177 . . . . 0.0 109.141 179.774 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -83.6 141.79 10.05 Favored 'Trans proline' 0 C--N 1.359 1.096 0 O-C-N 124.504 1.792 . . . . 0.0 110.571 179.601 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 4.3 p-80 -147.88 163.64 36.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.315 1.009 . . . . 0.0 109.804 -179.766 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.855 HG22 HG22 ' A' ' 52' ' ' VAL . 1.5 t -85.1 146.84 6.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.346 1.029 . . . . 0.0 109.825 179.707 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.081 0 O-C-N 124.446 1.091 . . . . 0.0 110.957 179.988 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.451 -0.381 0 N-CA-C 112.272 0.471 . . . . 0.0 112.272 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -77.12 175.71 9.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.122 0.889 . . . . 0.0 110.248 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -160.0 -42.82 0.05 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 0.0 111.168 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 106.01 5.12 38.47 Favored Glycine 0 CA--C 1.528 0.897 0 O-C-N 124.44 1.087 . . . . 0.0 112.814 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.5 t -131.86 56.43 1.82 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.159 0.564 . . . . 0.0 109.85 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -143.7 94.65 2.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.215 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -53.53 119.12 4.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.361 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.511 ' O ' HG23 ' A' ' 69' ' ' VAL . 4.1 mttp -65.68 117.92 8.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.359 1.037 . . . . 0.0 109.305 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 6.3 t -144.48 151.16 38.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.573 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -126.79 97.66 32.56 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.598 1.186 . . . . 0.0 111.233 -179.799 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 11.6 Cg_endo -71.58 -10.33 26.53 Favored 'Trans proline' 0 C--N 1.364 1.363 0 O-C-N 124.282 1.675 . . . . 0.0 112.851 -179.394 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.8 -7.2 51.27 Favored 'General case' 0 N--CA 1.449 -0.486 0 O-C-N 124.349 1.031 . . . . 0.0 111.52 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 3.9 t -103.8 30.82 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.095 0.872 . . . . 0.0 109.738 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.1 t -102.38 111.66 32.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 O-C-N 124.413 1.071 . . . . 0.0 109.272 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 121.05 -25.17 7.18 Favored Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.455 1.097 . . . . 0.0 111.472 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 56.4 mttt -77.54 162.05 27.42 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.482 0.754 . . . . 0.0 109.133 -179.294 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.715 HG22 HG22 ' A' ' 62' ' ' VAL . 80.9 p -96.65 171.99 8.19 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.065 0.853 . . . . 0.0 110.298 179.862 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.618 HG13 ' CD1' ' A' ' 36' ' ' PHE . 20.1 t -49.41 -59.07 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 111.667 -179.844 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -49.29 -36.95 22.26 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.245 0.966 . . . . 0.0 111.459 -178.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 6.2 mm-40 -64.63 -51.51 62.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.345 1.028 . . . . 0.0 109.857 179.73 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.56 -2.08 15.7 Favored 'General case' 0 N--CA 1.453 -0.315 0 O-C-N 124.817 1.323 . . . . 0.0 112.945 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.404 ' HD3' ' HA ' ' A' ' 22' ' ' ARG . 0.0 OUTLIER -82.26 -46.2 13.99 Favored 'General case' 0 C--N 1.321 -0.634 0 O-C-N 124.566 1.167 . . . . 0.0 109.389 179.771 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -73.72 -29.32 62.19 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 114.671 -1.15 . . . . 0.0 110.661 179.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -74.05 -48.22 31.42 Favored 'General case' 0 N--CA 1.451 -0.411 0 O-C-N 124.259 0.974 . . . . 0.0 112.126 -179.422 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.669 ' CG ' HG21 ' A' ' 34' ' ' VAL . 1.7 m-85 -64.65 -25.03 67.78 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.523 1.139 . . . . 0.0 111.366 -179.799 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 29.7 m -77.68 -32.68 53.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.363 1.04 . . . . 0.0 112.363 -179.555 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 21.0 mt -84.57 -47.95 10.04 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 113.649 0.981 . . . . 0.0 113.649 -178.249 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 -86.0 -35.41 20.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.077 0.861 . . . . 0.0 112.795 -178.456 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 38.7 m-85 -121.99 55.87 6.53 Favored Pre-proline 0 C--N 1.324 -0.514 0 N-CA-C 113.545 0.943 . . . . 0.0 113.545 -178.564 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_endo -65.24 -27.02 56.35 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 123.977 1.514 . . . . 0.0 114.932 -178.579 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -94.56 19.36 9.9 Favored 'General case' 0 N--CA 1.449 -0.481 0 O-C-N 123.977 0.798 . . . . 0.0 112.223 -179.421 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . 0.258 0.6 OUTLIER -123.67 127.12 47.75 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 114.956 -1.02 . . . . 0.0 109.333 178.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -85.89 100.33 12.01 Favored 'General case' 0 C--N 1.322 -0.596 0 O-C-N 124.44 1.088 . . . . 0.0 108.665 178.69 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.669 HG21 ' CG ' ' A' ' 25' ' ' PHE . 2.1 t -86.18 144.04 10.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.384 1.053 . . . . 0.0 109.915 -179.567 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.521 ' CE2' ' HD3' ' A' ' 51' ' ' ARG . 2.6 m-30 -115.22 165.43 12.94 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.473 1.108 . . . . 0.0 110.528 179.219 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.618 ' CD1' HG13 ' A' ' 18' ' ' VAL . 16.4 m-85 -148.73 111.53 4.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.676 1.235 . . . . 0.0 110.837 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.845 HD12 HH22 ' A' ' 53' ' ' ARG . 0.4 OUTLIER -144.03 174.93 3.12 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.338 1.024 . . . . 0.0 109.0 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.467 ' CD ' ' HB3' ' A' ' 37' ' ' LEU . 4.2 Cg_endo -72.31 160.96 45.75 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.573 1.828 . . . . 0.0 110.737 179.572 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.35 134.03 35.24 Favored 'General case' 0 C--N 1.323 -0.565 0 O-C-N 124.477 1.111 . . . . 0.0 111.632 -179.392 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 83.11 13.04 78.15 Favored Glycine 0 CA--C 1.528 0.868 0 O-C-N 124.241 0.963 . . . . 0.0 113.215 179.03 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.465 ' CB ' ' HD3' ' A' ' 42' ' ' PRO . 0.8 OUTLIER -88.15 -55.22 0.33 Allowed Pre-proline 0 N--CA 1.453 -0.296 0 O-C-N 124.421 0.718 . . . . 0.0 111.156 178.11 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.465 ' HD3' ' CB ' ' A' ' 41' ' ' SER . 17.9 Cg_endo -81.31 -166.62 0.42 Allowed 'Trans proline' 0 C--N 1.358 1.033 0 O-C-N 124.135 1.598 . . . . 0.0 110.952 -179.633 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.534 HG13 ' N ' ' A' ' 44' ' ' THR . 0.8 OUTLIER -134.9 -159.06 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.317 1.011 . . . . 0.0 109.117 179.79 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.534 ' N ' HG13 ' A' ' 43' ' ' VAL . 2.4 p -80.87 97.0 7.2 Favored 'General case' 0 N--CA 1.449 -0.507 0 O-C-N 125.192 1.558 . . . . 0.0 111.011 179.199 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.515 HD23 ' O ' ' A' ' 44' ' ' THR . 38.3 mt -129.72 70.54 1.43 Allowed 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.018 0.823 . . . . 0.0 109.217 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.486 ' O ' ' OXT' ' A' ' 70' ' ' GLY . 4.2 p30 -90.53 20.84 4.3 Favored 'General case' 0 N--CA 1.446 -0.663 0 CA-C-N 114.721 -1.127 . . . . 0.0 110.906 -179.426 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.476 HD23 ' HE ' ' A' ' 48' ' ' ARG . 1.0 OUTLIER -81.74 14.15 2.81 Favored 'General case' 0 N--CA 1.448 -0.527 0 O-C-N 124.004 0.815 . . . . 0.0 112.691 -178.949 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.476 ' HE ' HD23 ' A' ' 47' ' ' LEU . 0.0 OUTLIER -136.0 93.86 2.98 Favored 'General case' 0 C--N 1.322 -0.588 0 O-C-N 123.794 0.684 . . . . 0.0 109.593 -179.398 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 52.8 m-85 -74.88 -22.64 58.53 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 115.105 -0.952 . . . . 0.0 111.124 -179.737 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 29.1 p-10 -87.53 -5.52 58.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.355 1.034 . . . . 0.0 111.475 177.808 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.521 ' HD3' ' CE2' ' A' ' 35' ' ' TYR . 7.0 ttm180 -117.41 117.81 30.49 Favored 'General case' 0 C--N 1.322 -0.593 0 O-C-N 123.84 0.712 . . . . 0.0 109.264 -179.084 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.628 HG22 HG13 ' A' ' 69' ' ' VAL . 1.4 t -103.09 118.23 49.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.393 1.058 . . . . 0.0 109.98 -179.548 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.845 HH22 HD12 ' A' ' 37' ' ' LEU . 14.0 mtp85 -87.5 135.55 33.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.269 0.981 . . . . 0.0 111.149 179.459 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.487 HG13 ' HB3' ' A' ' 67' ' ' PRO . 16.8 t -125.72 156.71 35.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.202 0.939 . . . . 0.0 109.639 -179.672 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -129.97 143.78 50.98 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.444 1.09 . . . . 0.0 111.487 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 11.5 p90 -144.38 168.09 20.91 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 114.85 -1.068 . . . . 0.0 110.364 179.585 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.424 ' HA ' ' HD3' ' A' ' 58' ' ' PRO . 2.5 t-20 -84.97 136.78 38.18 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.405 1.066 . . . . 0.0 109.553 -179.658 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 57' ' ' ASN . 38.9 Cg_endo -83.29 13.23 2.72 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.254 1.66 . . . . 0.0 112.479 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -120.65 -65.02 0.26 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.468 1.105 . . . . 0.0 111.949 -179.641 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 9.9 t -88.97 -9.61 50.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.415 0.715 . . . . 0.0 112.549 -179.37 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 10.9 m-80 58.74 63.34 1.69 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.26 0.975 . . . . 0.0 108.951 -179.608 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.715 HG22 HG22 ' A' ' 17' ' ' THR . 88.4 t -140.22 152.01 21.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 O-C-N 124.642 1.214 . . . . 0.0 110.058 -179.583 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 31.7 t -84.14 113.43 22.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.314 1.009 . . . . 0.0 109.207 179.82 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 2.0 p30 -105.31 -42.61 5.21 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.598 1.186 . . . . 0.0 110.113 -179.814 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 16.4 m-70 -85.77 134.78 33.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.372 1.045 . . . . 0.0 110.055 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 45.5 t -65.87 115.81 26.37 Favored Pre-proline 0 C--N 1.327 -0.396 0 O-C-N 124.396 1.06 . . . . 0.0 109.46 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.487 ' HB3' HG13 ' A' ' 54' ' ' VAL . 20.4 Cg_endo -74.97 142.39 27.89 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.556 1.819 . . . . 0.0 110.836 179.509 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 1.2 p80 -149.4 163.26 38.24 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.416 1.072 . . . . 0.0 109.779 -179.719 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.628 HG13 HG22 ' A' ' 52' ' ' VAL . 0.8 OUTLIER -87.41 145.76 7.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.47 1.106 . . . . 0.0 109.359 179.859 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.486 ' OXT' ' O ' ' A' ' 46' ' ' ASP . . . . . . . . 0 CA--C 1.53 1.023 0 O-C-N 124.48 1.113 . . . . 0.0 110.967 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 35.5 p . . . . . 0 C--O 1.234 0.265 0 N-CA-C 109.769 -0.456 . . . . 0.0 109.769 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.429 ' HG3' ' HE2' ' A' ' 8' ' ' LYS . 2.5 mt-10 -136.23 -170.73 2.72 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.242 0.964 . . . . 0.0 110.145 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -112.16 -30.84 7.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.386 1.054 . . . . 0.0 112.479 -179.365 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -75.92 -11.13 84.91 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.397 1.061 . . . . 0.0 112.849 -179.465 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.4 t 48.38 23.7 0.61 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.401 0.706 . . . . 0.0 111.656 179.143 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -98.16 -176.53 3.45 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.283 0.989 . . . . 0.0 110.336 -179.762 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 9.4 mp -58.46 137.97 56.98 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.651 1.219 . . . . 0.0 109.205 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.444 ' HA ' ' CE ' ' A' ' 8' ' ' LYS . 12.4 mmmt -72.29 104.17 3.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.561 1.163 . . . . 0.0 109.444 -179.721 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 87.5 p -136.96 121.06 17.79 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.495 1.122 . . . . 0.0 109.691 179.801 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -126.72 97.11 33.8 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 111.028 -179.711 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_endo -75.34 -4.07 14.8 Favored 'Trans proline' 0 C--N 1.365 1.435 0 O-C-N 124.102 1.58 . . . . 0.0 112.985 -179.789 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -76.3 -14.94 60.09 Favored 'General case' 0 N--CA 1.448 -0.55 0 O-C-N 124.232 0.957 . . . . 0.0 112.258 -179.646 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 4.1 t -93.75 32.97 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 123.971 0.794 . . . . 0.0 109.996 -179.802 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 3.0 t -103.55 102.62 13.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.327 1.017 . . . . 0.0 109.027 179.735 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 127.65 -21.53 5.63 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.437 1.086 . . . . 0.0 111.561 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 16.3 mttm -75.37 162.16 28.63 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 -179.74 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.713 HG22 HG22 ' A' ' 62' ' ' VAL . 46.1 p -95.99 164.85 12.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.05 0.844 . . . . 0.0 110.555 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.51 HG13 ' CD1' ' A' ' 36' ' ' PHE . 12.1 t -49.23 -57.56 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.369 1.043 . . . . 0.0 111.4 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -51.2 -38.52 52.84 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.141 -0.936 . . . . 0.0 111.339 -179.019 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 21.2 mm-40 -63.5 -53.05 58.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 110.128 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.52 0.31 12.87 Favored 'General case' 0 C--N 1.327 -0.373 0 O-C-N 124.693 1.246 . . . . 0.0 112.988 -179.694 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.409 ' HA ' ' HD3' ' A' ' 22' ' ' ARG . 17.2 tpp85 -84.54 -46.46 11.57 Favored 'General case' 0 C--N 1.323 -0.576 0 O-C-N 124.418 1.074 . . . . 0.0 109.98 -179.621 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -75.15 -29.6 60.51 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 114.774 -1.103 . . . . 0.0 110.493 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 41.2 t80 -66.13 -48.24 71.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 111.006 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.572 ' CD2' HG21 ' A' ' 34' ' ' VAL . 3.7 m-85 -71.47 -24.38 61.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.145 . . . . 0.0 111.846 -179.775 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 13.8 m -76.81 -33.51 57.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.267 0.979 . . . . 0.0 112.022 -179.444 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 10.3 mt -86.68 -47.31 9.26 Favored 'General case' 0 N--CA 1.45 -0.461 0 N-CA-C 113.792 1.034 . . . . 0.0 113.792 -178.278 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.503 ' HB2' ' CD1' ' A' ' 29' ' ' TYR . 81.1 m-70 -86.47 -31.97 21.06 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.097 0.873 . . . . 0.0 113.292 -177.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.503 ' CD1' ' HB2' ' A' ' 28' ' ' HIS . 16.2 m-85 -124.61 63.38 36.6 Favored Pre-proline 0 C--O 1.24 0.578 0 N-CA-C 114.716 1.376 . . . . 0.0 114.716 -178.215 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_endo -72.22 -0.03 8.02 Favored 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 123.534 1.281 . . . . 0.0 113.129 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 7.8 pm0 -116.51 22.64 12.62 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.194 0.934 . . . . 0.0 110.461 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.402 ' CD2' ' HB3' ' A' ' 29' ' ' TYR 0.271 3.2 m-85 -128.31 123.08 33.11 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 114.885 -1.052 . . . . 0.0 110.125 -179.34 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -90.73 105.3 17.73 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.391 1.057 . . . . 0.0 108.797 179.004 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.572 HG21 ' CD2' ' A' ' 25' ' ' PHE . 2.4 t -86.93 150.05 3.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 O-C-N 124.418 1.073 . . . . 0.0 109.484 -179.498 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.495 ' CE2' ' HD2' ' A' ' 51' ' ' ARG . 1.0 OUTLIER -126.0 103.25 7.64 Favored 'General case' 0 C--N 1.328 -0.354 0 O-C-N 124.299 1.0 . . . . 0.0 110.833 179.51 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.51 ' CD1' HG13 ' A' ' 18' ' ' VAL . 18.7 m-85 -92.11 120.69 32.95 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.387 1.054 . . . . 0.0 110.733 179.662 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.438 ' HB3' ' HD2' ' A' ' 38' ' ' PRO . 54.7 mt -147.2 161.31 36.95 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.25 0.969 . . . . 0.0 109.491 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.438 ' HD2' ' HB3' ' A' ' 37' ' ' LEU . 21.7 Cg_endo -76.68 137.36 18.03 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.465 1.771 . . . . 0.0 110.956 179.575 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.2 154.39 2.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 111.19 -179.882 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.419 ' C ' ' HD3' ' A' ' 42' ' ' PRO . . . 86.97 3.91 82.52 Favored Glycine 0 CA--C 1.527 0.843 0 O-C-N 124.327 1.017 . . . . 0.0 113.149 179.706 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 51.8 m -105.66 69.41 0.2 Allowed Pre-proline 0 C--O 1.26 1.61 0 N-CA-C 116.346 1.98 . . . . 0.0 116.346 178.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.419 ' HD3' ' C ' ' A' ' 40' ' ' GLY . 33.9 Cg_endo -70.98 141.42 40.23 Favored 'Trans proline' 0 C--N 1.36 1.154 0 C-N-CA 120.836 1.024 . . . . 0.0 110.672 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.552 HG13 ' N ' ' A' ' 44' ' ' THR . 1.0 OUTLIER -148.5 -159.25 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.27 0.981 . . . . 0.0 108.736 179.85 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.552 ' N ' HG13 ' A' ' 43' ' ' VAL . 17.2 p -78.17 118.92 20.87 Favored 'General case' 0 C--O 1.235 0.3 0 O-C-N 125.497 1.748 . . . . 0.0 109.721 178.027 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.515 HD22 ' HD3' ' A' ' 53' ' ' ARG . 20.0 mt -133.22 89.23 2.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.153 0.908 . . . . 0.0 109.618 -179.155 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -71.48 -169.98 0.47 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.439 1.087 . . . . 0.0 109.62 179.833 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 2.0 tt -85.62 78.79 9.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.268 0.98 . . . . 0.0 109.549 -179.687 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.45 ' CB ' ' HB3' ' A' ' 51' ' ' ARG . 0.1 OUTLIER -90.58 117.89 29.61 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 114.864 -1.062 . . . . 0.0 110.183 -179.83 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 76.0 m-85 -83.29 -37.6 23.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.424 1.078 . . . . 0.0 111.682 -179.566 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 32.6 p-10 -95.65 -6.73 39.39 Favored 'General case' 0 C--N 1.323 -0.573 0 O-C-N 124.635 1.21 . . . . 0.0 112.485 -178.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.495 ' HD2' ' CE2' ' A' ' 35' ' ' TYR . 1.6 ttp180 -100.37 121.08 40.93 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.049 0.843 . . . . 0.0 110.129 -178.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 1.246 HG22 ' CG2' ' A' ' 69' ' ' VAL . 62.0 t -109.11 120.81 61.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 O-C-N 124.308 1.005 . . . . 0.0 110.558 -179.732 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.878 ' NH2' ' OXT' ' A' ' 70' ' ' GLY . 4.0 mtm180 -89.32 114.83 26.27 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 114.946 -1.025 . . . . 0.0 110.48 179.681 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.482 HG11 ' CE1' ' A' ' 36' ' ' PHE . 50.0 t -110.67 153.24 12.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.274 0.984 . . . . 0.0 110.048 -179.684 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.449 ' HB2' ' CB ' ' A' ' 65' ' ' HIS . 4.2 m-85 -132.65 133.59 43.78 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 114.901 -1.045 . . . . 0.0 110.761 179.836 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.419 ' CD1' ' C ' ' A' ' 56' ' ' TYR . 3.6 p90 -137.08 167.28 21.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 110.805 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.405 ' ND2' ' HD2' ' A' ' 58' ' ' PRO . 17.4 t-20 -109.29 131.05 22.07 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.397 1.06 . . . . 0.0 109.565 -179.695 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.405 ' HD2' ' ND2' ' A' ' 57' ' ' ASN . 26.9 Cg_endo -79.06 -18.5 11.31 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.406 1.74 . . . . 0.0 111.748 179.606 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -50.19 -55.45 15.71 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.39 1.056 . . . . 0.0 111.57 -179.796 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 14.7 t -128.24 11.86 6.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.435 0.727 . . . . 0.0 112.063 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.6 m120 58.1 60.02 2.86 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 123.956 0.785 . . . . 0.0 109.916 179.567 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.713 HG22 HG22 ' A' ' 17' ' ' THR . 53.7 t -142.54 147.73 20.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 O-C-N 124.428 1.08 . . . . 0.0 109.707 179.815 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 30.6 t -81.38 137.31 21.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.387 1.054 . . . . 0.0 110.037 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 30.1 p30 -143.91 26.91 1.51 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.453 1.095 . . . . 0.0 109.293 179.811 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.449 ' CB ' ' HB2' ' A' ' 55' ' ' PHE . 3.5 m-70 -141.54 128.9 21.17 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 114.886 -1.052 . . . . 0.0 109.114 179.688 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 83.9 t -58.92 111.44 3.69 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.759 1.287 . . . . 0.0 109.187 179.816 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.406 ' HB3' HG13 ' A' ' 54' ' ' VAL . 46.7 Cg_endo -82.02 95.42 0.9 Allowed 'Trans proline' 0 C--N 1.359 1.081 0 O-C-N 124.518 1.799 . . . . 0.0 111.388 -179.432 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -116.27 162.83 16.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.326 1.016 . . . . 0.0 109.492 179.849 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 1.246 ' CG2' HG22 ' A' ' 52' ' ' VAL . 65.3 t -100.06 158.76 3.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.554 1.159 . . . . 0.0 109.239 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.878 ' OXT' ' NH2' ' A' ' 53' ' ' ARG . . . . . . . . 0 CA--C 1.531 1.062 0 O-C-N 124.418 1.074 . . . . 0.0 110.947 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 9.3 t . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 110.401 -0.222 . . . . 0.0 110.401 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -94.2 24.76 4.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 110.349 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.44 ' CD1' ' N ' ' A' ' 3' ' ' PHE . 2.9 m-30 -104.83 175.54 5.46 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.491 1.119 . . . . 0.0 110.878 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 76.85 -3.31 56.97 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.434 1.084 . . . . 0.0 113.096 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.9 t 63.92 167.36 0.15 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.194 0.585 . . . . 0.0 110.659 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -92.45 73.15 5.2 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 114.932 -1.031 . . . . 0.0 110.446 -179.703 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -137.89 68.85 1.4 Allowed 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.407 1.067 . . . . 0.0 109.187 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.2 mtmp? -72.2 89.87 1.2 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.108 . . . . 0.0 109.77 -179.791 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 20.5 p -148.49 133.9 18.57 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.044 -0.98 . . . . 0.0 109.768 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -124.83 94.46 44.18 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.579 1.175 . . . . 0.0 111.013 -179.849 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.531 ' HA ' HG13 ' A' ' 66' ' ' VAL . 30.9 Cg_endo -77.48 -1.92 12.1 Favored 'Trans proline' 0 C--N 1.366 1.465 0 O-C-N 123.917 1.483 . . . . 0.0 113.114 -179.642 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -74.63 -21.42 59.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.267 0.98 . . . . 0.0 110.199 -179.486 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.618 HG13 ' HD2' ' A' ' 16' ' ' LYS . 3.4 t -90.73 44.92 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.457 1.098 . . . . 0.0 109.703 -179.738 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.1 t -111.37 111.04 34.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.138 179.773 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 118.99 -19.44 10.18 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.452 1.095 . . . . 0.0 111.483 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.618 ' HD2' HG13 ' A' ' 13' ' ' VAL . 10.5 mttt -73.11 -164.32 0.17 Allowed 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.699 HG22 HG22 ' A' ' 62' ' ' VAL . 72.9 p -127.59 168.21 15.3 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.503 1.127 . . . . 0.0 110.079 179.764 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 17.0 t -50.26 -59.77 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.454 1.097 . . . . 0.0 111.237 -179.756 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -51.59 -34.78 38.63 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.15 -0.932 . . . . 0.0 110.828 -179.107 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.95 -52.8 58.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.452 1.095 . . . . 0.0 109.72 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.62 -0.76 13.82 Favored 'General case' 0 C--N 1.328 -0.368 0 O-C-N 124.64 1.213 . . . . 0.0 113.061 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -83.4 -45.89 13.16 Favored 'General case' 0 C--N 1.322 -0.607 0 O-C-N 124.507 1.129 . . . . 0.0 109.785 -179.838 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -75.4 -25.18 57.4 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 114.76 -1.109 . . . . 0.0 110.596 -179.804 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 14.2 t80 -67.98 -53.86 22.89 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.402 1.064 . . . . 0.0 111.475 -179.801 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -67.81 -22.51 65.16 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.548 1.155 . . . . 0.0 112.046 -179.554 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 16.6 m -75.98 -32.86 59.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.34 1.025 . . . . 0.0 111.748 -179.649 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 16.2 mt -87.09 -45.64 10.53 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 113.734 1.013 . . . . 0.0 113.734 -178.304 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 11.8 m170 -84.45 -41.2 16.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.137 0.898 . . . . 0.0 113.005 -178.396 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 40.2 m-85 -124.41 66.04 43.27 Favored Pre-proline 0 C--O 1.241 0.646 0 N-CA-C 114.785 1.402 . . . . 0.0 114.785 -178.211 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -74.45 2.75 5.97 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 123.485 1.255 . . . . 0.0 113.338 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -112.79 21.27 15.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.302 1.001 . . . . 0.0 110.602 179.622 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.433 ' CD1' HG23 ' A' ' 52' ' ' VAL 0.26 3.4 m-85 -125.53 131.22 52.82 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 114.99 -1.005 . . . . 0.0 110.159 -179.779 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -89.09 97.63 11.31 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.353 1.033 . . . . 0.0 108.318 178.366 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 4.0 t -84.84 149.74 4.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.609 1.193 . . . . 0.0 110.93 -179.157 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 31.4 m-85 -142.09 123.47 14.84 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 114.758 -1.11 . . . . 0.0 110.451 179.586 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.505 ' O ' HD23 ' A' ' 37' ' ' LEU . 49.9 m-85 -99.88 130.92 46.11 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.331 1.019 . . . . 0.0 111.439 -179.521 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.681 HD11 ' NE ' ' A' ' 53' ' ' ARG . 0.7 OUTLIER -129.55 178.32 1.75 Allowed Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.196 0.935 . . . . 0.0 108.562 179.093 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.496 ' CD ' ' CB ' ' A' ' 37' ' ' LEU . 4.3 Cg_endo -69.91 159.27 53.89 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.455 1.766 . . . . 0.0 110.883 179.64 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.517 ' HB2' ' CD2' ' A' ' 65' ' ' HIS . 2.2 pp20? -79.91 132.13 36.0 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 114.827 -1.079 . . . . 0.0 112.586 -179.263 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 71.5 15.34 75.22 Favored Glycine 0 CA--C 1.529 0.965 0 CA-C-N 115.115 -0.948 . . . . 0.0 113.259 178.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 80.5 p -98.75 123.17 50.64 Favored Pre-proline 0 C--O 1.255 1.363 0 CA-C-O 117.475 -1.25 . . . . 0.0 108.884 178.04 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -71.82 155.98 57.45 Favored 'Trans proline' 0 C--N 1.358 1.063 0 O-C-N 123.652 1.343 . . . . 0.0 110.381 179.503 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.547 HG13 ' N ' ' A' ' 44' ' ' THR . 0.9 OUTLIER -149.6 -160.02 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.278 0.987 . . . . 0.0 109.161 -179.71 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.547 ' N ' HG13 ' A' ' 43' ' ' VAL . 2.7 p -79.68 102.35 8.91 Favored 'General case' 0 N--CA 1.453 -0.322 0 O-C-N 125.265 1.603 . . . . 0.0 109.623 177.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -91.41 52.58 2.11 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.328 1.018 . . . . 0.0 110.663 -178.811 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -72.27 -152.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.393 1.058 . . . . 0.0 109.156 179.603 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 8.3 tp -127.82 81.7 2.04 Favored 'General case' 0 N--CA 1.45 -0.437 0 O-C-N 124.143 0.902 . . . . 0.0 112.653 -179.047 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 1.205 ' HB2' ' OXT' ' A' ' 70' ' ' GLY . 5.2 mtt180 -93.91 124.17 37.74 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.052 -0.976 . . . . 0.0 109.13 179.046 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -83.5 -43.39 15.81 Favored 'General case' 0 CA--C 1.536 0.414 0 O-C-N 124.317 1.011 . . . . 0.0 112.443 -178.85 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 -95.01 -7.2 40.4 Favored 'General case' 0 C--N 1.323 -0.582 0 O-C-N 124.828 1.33 . . . . 0.0 112.449 -178.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.462 ' HB3' ' CB ' ' A' ' 48' ' ' ARG . 1.2 ttm180 -102.32 131.58 48.84 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.093 0.871 . . . . 0.0 112.021 -178.468 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 1.213 ' CG2' HG22 ' A' ' 69' ' ' VAL . 55.6 t -117.28 146.45 21.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.37 1.044 . . . . 0.0 108.828 179.029 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.681 ' NE ' HD11 ' A' ' 37' ' ' LEU . 0.0 OUTLIER -121.05 138.41 54.19 Favored 'General case' 0 C--N 1.323 -0.568 0 O-C-N 124.624 1.202 . . . . 0.0 110.113 -179.606 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 1.061 HG13 ' HB3' ' A' ' 67' ' ' PRO . 8.0 t -130.97 157.49 43.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.591 1.182 . . . . 0.0 109.802 -179.688 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.433 ' HB2' ' HB2' ' A' ' 65' ' ' HIS . 29.1 m-85 -127.11 140.23 52.41 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.421 1.076 . . . . 0.0 110.821 179.855 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.441 ' CD1' ' C ' ' A' ' 56' ' ' TYR . 6.4 p90 -145.52 165.52 28.37 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.646 1.216 . . . . 0.0 110.64 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -92.95 124.46 58.31 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.498 1.124 . . . . 0.0 109.481 -179.522 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 21.8 Cg_endo -77.65 6.01 4.8 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.326 1.698 . . . . 0.0 112.775 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -87.87 -73.67 1.28 Allowed Glycine 0 CA--C 1.529 0.966 0 N-CA-C 110.761 -0.936 . . . . 0.0 110.761 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.417 HG23 HG23 ' A' ' 62' ' ' VAL . 14.7 t -96.1 2.49 53.26 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.495 0.762 . . . . 0.0 112.38 179.593 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.9 m120 61.86 63.28 1.14 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 123.923 0.765 . . . . 0.0 109.776 179.682 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.699 HG22 HG22 ' A' ' 17' ' ' THR . 53.8 t -142.41 141.61 27.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 O-C-N 124.46 1.1 . . . . 0.0 109.999 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 67.9 t -80.99 139.77 17.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 115.014 -0.994 . . . . 0.0 109.252 179.774 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 27.0 p30 -142.11 24.28 1.99 Allowed 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.508 1.13 . . . . 0.0 110.151 -179.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.517 ' CD2' ' HB2' ' A' ' 39' ' ' GLU . 78.9 m-70 -148.15 135.19 20.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.406 1.066 . . . . 0.0 109.676 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.531 HG13 ' HA ' ' A' ' 11' ' ' PRO . 13.4 t -66.48 114.88 19.24 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.605 1.191 . . . . 0.0 109.053 179.722 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 1.061 ' HB3' HG13 ' A' ' 54' ' ' VAL . 28.7 Cg_endo -76.34 113.35 3.66 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.502 1.791 . . . . 0.0 111.059 -179.536 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 2.1 p80 -109.99 163.17 13.82 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.435 1.084 . . . . 0.0 109.732 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 1.213 HG22 ' CG2' ' A' ' 52' ' ' VAL . 43.3 t -85.78 143.07 12.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.594 1.184 . . . . 0.0 109.005 179.497 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 1.205 ' OXT' ' HB2' ' A' ' 48' ' ' ARG . . . . . . . . 0 CA--C 1.529 0.949 0 O-C-N 124.379 1.049 . . . . 0.0 110.981 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 1.7 m . . . . . 0 C--O 1.234 0.248 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -145.37 72.28 1.31 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.297 0.998 . . . . 0.0 110.258 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 4.9 m-30 -60.0 -33.97 72.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 111.039 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 80.14 5.74 89.51 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.448 1.092 . . . . 0.0 112.83 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.1 t -72.25 136.49 46.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.086 0.521 . . . . 0.0 110.415 -179.758 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.451 ' C ' HD22 ' A' ' 7' ' ' LEU . 10.3 mt-10 -140.52 126.01 18.96 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.401 1.063 . . . . 0.0 109.888 179.785 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.451 HD22 ' C ' ' A' ' 6' ' ' GLU . 4.2 mm? -112.83 33.74 4.83 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.531 1.144 . . . . 0.0 110.152 -179.676 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.555 ' HB3' ' CG2' ' A' ' 69' ' ' VAL . 18.9 mmtp -77.53 86.79 3.87 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.515 1.134 . . . . 0.0 109.147 -179.627 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 63.8 m -149.62 151.06 33.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.362 1.039 . . . . 0.0 110.387 -179.493 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -139.77 99.24 7.64 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.431 1.082 . . . . 0.0 110.754 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 29.3 Cg_endo -75.88 1.95 7.58 Favored 'Trans proline' 0 C--N 1.364 1.37 0 O-C-N 124.159 1.61 . . . . 0.0 112.839 -179.496 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -75.5 -24.13 56.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.206 0.941 . . . . 0.0 110.933 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -100.12 37.24 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.323 1.014 . . . . 0.0 109.284 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 4.0 t -102.71 101.83 12.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.456 1.097 . . . . 0.0 109.376 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 126.0 -20.35 6.36 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.532 1.145 . . . . 0.0 111.507 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.0 mttm -76.52 161.07 28.92 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 -179.486 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -93.36 166.62 12.2 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.061 0.851 . . . . 0.0 109.852 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.659 HG13 ' CZ ' ' A' ' 36' ' ' PHE . 22.8 t -45.2 -62.84 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.497 0 O-C-N 124.094 0.871 . . . . 0.0 112.444 -179.657 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -50.54 -37.27 38.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 123.967 0.792 . . . . 0.0 111.62 -179.016 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 9.0 mm100 -64.96 -49.68 69.37 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.329 1.018 . . . . 0.0 110.467 -179.698 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.26 -3.46 17.22 Favored 'General case' 0 C--N 1.328 -0.33 0 O-C-N 124.584 1.178 . . . . 0.0 112.98 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.486 HH21 ' HE2' ' A' ' 36' ' ' PHE . 0.6 OUTLIER -83.53 -46.69 12.14 Favored 'General case' 0 C--N 1.322 -0.627 0 O-C-N 124.652 1.22 . . . . 0.0 109.603 179.801 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -69.03 -25.85 64.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 114.728 -1.124 . . . . 0.0 110.247 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 75.2 t80 -74.23 -48.75 26.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.405 1.066 . . . . 0.0 111.387 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.558 ' CD2' HG21 ' A' ' 34' ' ' VAL . 3.6 m-85 -73.56 -22.16 60.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 111.877 -179.458 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 3.0 m -75.47 -33.51 60.84 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.324 1.015 . . . . 0.0 111.536 -179.706 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 17.5 mt -85.45 -45.39 11.88 Favored 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 114.234 1.198 . . . . 0.0 114.234 -178.159 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 12.0 m-70 -84.91 -39.77 17.8 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.113 0.883 . . . . 0.0 113.364 -178.121 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.422 ' HB3' ' HB2' ' A' ' 32' ' ' TYR . 33.1 m-85 -119.38 75.51 16.89 Favored Pre-proline 0 C--N 1.323 -0.583 0 N-CA-C 114.524 1.305 . . . . 0.0 114.524 -178.732 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 10.7 Cg_endo -76.23 5.41 4.61 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 123.689 1.362 . . . . 0.0 113.388 179.773 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -121.68 17.3 11.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.408 1.068 . . . . 0.0 111.384 179.792 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.422 ' HB2' ' HB3' ' A' ' 29' ' ' TYR 0.255 1.1 m-30 -123.39 118.39 27.37 Favored 'General case' 0 C--N 1.321 -0.649 0 O-C-N 124.174 0.921 . . . . 0.0 109.742 179.544 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -89.91 108.39 19.68 Favored 'General case' 0 C--N 1.323 -0.571 0 O-C-N 124.436 1.085 . . . . 0.0 108.273 178.658 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.558 HG21 ' CD2' ' A' ' 25' ' ' PHE . 2.7 t -85.86 148.14 4.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 0.0 110.728 -179.232 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 32.0 m-85 -129.65 123.63 31.68 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 114.682 -1.144 . . . . 0.0 109.95 179.228 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.659 ' CZ ' HG13 ' A' ' 18' ' ' VAL . 55.1 m-85 -92.01 127.31 37.43 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.54 1.15 . . . . 0.0 111.533 -179.474 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.436 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 1.3 mp -134.19 152.2 77.83 Favored Pre-proline 0 C--N 1.324 -0.535 0 O-C-N 124.212 0.945 . . . . 0.0 108.513 179.548 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 37' ' ' LEU . 56.1 Cg_endo -89.29 58.1 2.08 Favored 'Trans proline' 0 C--N 1.357 0.976 0 O-C-N 124.648 1.867 . . . . 0.0 112.116 -179.128 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -175.48 143.08 0.62 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.366 1.041 . . . . 0.0 111.721 179.574 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.485 ' HA2' ' CG ' ' A' ' 55' ' ' PHE . . . -118.44 21.31 9.98 Favored Glycine 0 CA--C 1.528 0.885 0 CA-C-N 114.729 -1.123 . . . . 0.0 112.46 -179.547 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.442 ' HB2' ' HD2' ' A' ' 42' ' ' PRO . 2.2 p -87.51 160.44 47.84 Favored Pre-proline 0 N--CA 1.453 -0.289 0 C-N-CA 120.194 -0.602 . . . . 0.0 110.108 178.374 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.442 ' HD2' ' HB2' ' A' ' 41' ' ' SER . 8.9 Cg_endo -52.81 161.3 3.24 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.29 1.679 . . . . 0.0 111.424 -179.738 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.549 HG13 ' N ' ' A' ' 44' ' ' THR . 1.0 OUTLIER -149.3 -159.14 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 114.73 -1.123 . . . . 0.0 108.747 -179.934 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.549 ' N ' HG13 ' A' ' 43' ' ' VAL . 0.6 OUTLIER -92.11 92.45 8.25 Favored 'General case' 0 N--CA 1.449 -0.504 0 O-C-N 124.921 1.388 . . . . 0.0 109.592 178.039 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.0 mt -90.41 82.04 5.95 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.443 1.089 . . . . 0.0 110.029 -179.239 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -89.14 19.29 4.35 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 114.97 -1.014 . . . . 0.0 111.212 -179.281 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.713 HD11 ' CE2' ' A' ' 49' ' ' TYR . 3.9 tp 63.92 96.57 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.395 0 O-C-N 123.974 0.796 . . . . 0.0 110.271 179.548 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.821 ' HB2' ' OXT' ' A' ' 70' ' ' GLY . 7.4 mtt85 -131.17 99.72 4.96 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 114.734 -1.121 . . . . 0.0 109.416 -179.839 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.713 ' CE2' HD11 ' A' ' 47' ' ' LEU . 68.5 m-85 -71.58 -20.69 61.97 Favored 'General case' 0 N--CA 1.451 -0.398 0 O-C-N 124.311 1.007 . . . . 0.0 113.151 -178.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 -91.26 -6.63 52.96 Favored 'General case' 0 C--N 1.323 -0.568 0 O-C-N 124.382 1.051 . . . . 0.0 112.282 -179.739 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.411 ' HB3' ' HB3' ' A' ' 48' ' ' ARG . 5.6 ttm180 -130.41 121.28 25.63 Favored 'General case' 0 C--N 1.322 -0.615 0 O-C-N 124.202 0.939 . . . . 0.0 111.171 -177.489 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.665 HG22 HG13 ' A' ' 69' ' ' VAL . 54.3 t -113.92 129.64 69.46 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.344 0 O-C-N 124.104 0.878 . . . . 0.0 109.1 179.281 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.622 HH21 ' C ' ' A' ' 70' ' ' GLY . 45.2 mtt-85 -90.2 147.09 23.78 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 114.9 -1.046 . . . . 0.0 111.877 -179.612 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.413 ' C ' ' CD1' ' A' ' 55' ' ' PHE . 38.9 t -142.12 144.85 24.65 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.367 0 CA-C-N 115.159 -0.928 . . . . 0.0 109.49 179.691 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.485 ' CG ' ' HA2' ' A' ' 40' ' ' GLY . 0.8 OUTLIER -124.82 133.65 53.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.33 1.019 . . . . 0.0 111.117 -179.51 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 11.3 p90 -145.12 167.66 22.2 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.36 1.037 . . . . 0.0 110.286 179.731 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.69 ' HB3' HG22 ' A' ' 60' ' ' THR . 2.0 t-20 -85.72 147.94 47.47 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.23 0.956 . . . . 0.0 110.112 -179.353 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_endo -86.21 -32.09 0.26 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.155 1.608 . . . . 0.0 113.114 -179.071 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -99.44 33.23 6.36 Favored Glycine 0 CA--C 1.528 0.86 0 O-C-N 124.133 0.896 . . . . 0.0 113.609 -178.806 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.69 HG22 ' HB3' ' A' ' 57' ' ' ASN . 0.7 OUTLIER -172.41 -41.43 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 O-C-N 124.483 0.755 . . . . 0.0 111.411 179.232 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 78.05 66.49 0.04 OUTLIER 'General case' 0 N--CA 1.45 -0.47 0 O-C-N 124.226 0.954 . . . . 0.0 110.606 -179.794 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.569 HG23 HG23 ' A' ' 60' ' ' THR . 72.7 t -143.23 141.16 26.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 O-C-N 124.384 1.052 . . . . 0.0 108.925 179.047 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 85.0 t -82.95 99.16 5.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 O-C-N 124.568 1.167 . . . . 0.0 109.079 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 3.5 p30 -109.92 30.27 6.86 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.531 1.144 . . . . 0.0 109.812 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.421 ' HB2' ' HB2' ' A' ' 55' ' ' PHE . 32.1 m80 -146.19 136.04 23.4 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.305 1.003 . . . . 0.0 109.218 179.444 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 79.6 t -63.49 113.98 11.53 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.755 1.284 . . . . 0.0 109.093 179.65 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 30.7 Cg_endo -76.96 144.17 23.8 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.445 1.76 . . . . 0.0 111.043 -179.54 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 1.6 p80 -149.39 163.74 36.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.423 1.077 . . . . 0.0 109.716 -179.637 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.665 HG13 HG22 ' A' ' 52' ' ' VAL . 1.9 t -85.7 160.7 3.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.398 1.061 . . . . 0.0 109.478 179.74 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.821 ' OXT' ' HB2' ' A' ' 48' ' ' ARG . . . . . . . . 0 CA--C 1.53 0.973 0 O-C-N 124.485 1.116 . . . . 0.0 111.101 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 22.4 p . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.392 -0.225 . . . . 0.0 110.392 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 4.6 mp0 -52.95 162.1 0.68 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.47 1.106 . . . . 0.0 110.343 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 73.4 m-85 -120.98 -65.5 1.14 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.099 . . . . 0.0 111.097 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 129.81 3.36 5.01 Favored Glycine 0 CA--C 1.529 0.914 0 O-C-N 124.579 1.174 . . . . 0.0 113.002 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.3 t -56.2 -19.52 14.12 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.104 0.532 . . . . 0.0 110.957 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -76.15 -174.41 2.74 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.251 0.97 . . . . 0.0 110.212 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 10.9 mp -69.31 91.58 0.55 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 114.382 -1.281 . . . . 0.0 109.522 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.426 ' O ' HG23 ' A' ' 69' ' ' VAL . 5.6 mttt -57.1 125.99 25.19 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.559 1.162 . . . . 0.0 109.432 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -140.85 145.67 36.53 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.517 1.136 . . . . 0.0 109.923 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.467 ' CD1' ' N ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -127.76 102.42 22.51 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.441 1.088 . . . . 0.0 110.681 179.954 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -71.97 -10.12 25.67 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.345 1.708 . . . . 0.0 112.685 -179.062 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -74.89 1.9 11.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.052 0.845 . . . . 0.0 112.534 -179.814 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 16.5 t -103.56 -9.15 9.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 123.951 0.782 . . . . 0.0 111.62 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 5.4 t -72.24 101.76 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 123.895 0.747 . . . . 0.0 109.704 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 134.16 -25.46 3.49 Favored Glycine 0 CA--C 1.527 0.838 0 O-C-N 124.407 1.067 . . . . 0.0 112.795 179.54 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.8 mtmt -78.24 165.75 23.53 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 -179.217 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -99.52 163.67 12.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.44 1.087 . . . . 0.0 109.638 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.707 HG13 ' CD1' ' A' ' 36' ' ' PHE . 21.3 t -45.47 -60.75 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 N-CA-C 113.612 0.967 . . . . 0.0 113.612 -179.156 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -55.47 -33.14 63.39 Favored 'General case' 0 C--O 1.239 0.523 0 N-CA-C 112.689 0.625 . . . . 0.0 112.689 -178.199 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 8.3 mm100 -64.43 -52.12 59.7 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.337 1.023 . . . . 0.0 109.475 179.794 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.23 -1.34 14.81 Favored 'General case' 0 C--N 1.327 -0.37 0 O-C-N 124.634 1.209 . . . . 0.0 112.984 179.776 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.8 tpp85 -83.09 -45.56 13.83 Favored 'General case' 0 C--N 1.32 -0.684 0 O-C-N 124.561 1.163 . . . . 0.0 109.721 -179.788 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -73.82 -28.34 61.57 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 114.727 -1.124 . . . . 0.0 110.826 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 68.5 t80 -70.83 -48.37 54.38 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.433 1.083 . . . . 0.0 112.019 -179.744 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.549 ' CD2' HG21 ' A' ' 34' ' ' VAL . 11.6 m-30 -72.58 -20.27 61.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.319 1.012 . . . . 0.0 112.633 -179.278 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 3.9 m -77.4 -34.72 54.73 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.304 1.002 . . . . 0.0 112.069 -179.339 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 16.1 mt -87.65 -45.74 10.13 Favored 'General case' 0 N--CA 1.449 -0.484 0 O-C-N 124.275 0.984 . . . . 0.0 113.219 -178.41 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 14.4 m-70 -85.48 -36.06 20.81 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.259 0.974 . . . . 0.0 112.996 -178.39 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 10.3 m-85 -120.93 53.7 3.48 Favored Pre-proline 0 C--N 1.324 -0.52 0 N-CA-C 114.194 1.183 . . . . 0.0 114.194 -178.396 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -66.43 -18.72 55.16 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 123.992 1.522 . . . . 0.0 114.256 -179.002 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 8.4 pm0 -90.81 15.1 11.87 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 123.988 0.805 . . . . 0.0 112.403 -179.238 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . 0.263 1.0 OUTLIER -124.97 126.6 45.72 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.272 -0.876 . . . . 0.0 109.293 179.633 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 13.1 t0 -86.3 100.87 12.59 Favored 'General case' 0 C--N 1.322 -0.6 0 O-C-N 124.528 1.143 . . . . 0.0 108.224 178.103 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.549 HG21 ' CD2' ' A' ' 25' ' ' PHE . 3.5 t -83.97 150.07 4.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.605 1.191 . . . . 0.0 110.452 -179.53 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -142.25 126.8 17.87 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 114.818 -1.083 . . . . 0.0 110.479 179.337 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.707 ' CD1' HG13 ' A' ' 18' ' ' VAL . 23.1 m-85 -102.81 133.3 48.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.371 1.044 . . . . 0.0 111.121 -179.757 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.426 ' HB2' ' HD2' ' A' ' 38' ' ' PRO . 0.2 OUTLIER -148.52 164.72 20.43 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.393 1.058 . . . . 0.0 109.329 -179.945 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.426 ' HD2' ' HB2' ' A' ' 37' ' ' LEU . 4.6 Cg_endo -72.87 151.51 51.07 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.302 1.685 . . . . 0.0 110.816 -179.715 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.536 ' CB ' ' CE1' ' A' ' 65' ' ' HIS . 6.8 tp10 -80.17 157.42 26.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 110.115 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.424 ' N ' ' HG3' ' A' ' 39' ' ' GLU . . . 86.41 -13.34 58.21 Favored Glycine 0 CA--C 1.528 0.893 0 O-C-N 124.389 1.056 . . . . 0.0 112.468 -179.799 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 12.7 t -105.76 69.55 0.21 Allowed Pre-proline 0 C--O 1.259 1.595 0 N-CA-C 115.668 1.729 . . . . 0.0 115.668 179.034 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -67.2 168.55 17.31 Favored 'Trans proline' 0 C--N 1.358 1.045 0 C-N-CA 120.664 0.909 . . . . 0.0 110.357 -179.448 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.553 HG13 ' N ' ' A' ' 44' ' ' THR . 1.0 OUTLIER -148.69 -159.32 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.412 1.07 . . . . 0.0 109.01 -179.885 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.553 ' N ' HG13 ' A' ' 43' ' ' VAL . 9.0 p -79.64 113.03 17.47 Favored 'General case' 0 N--CA 1.453 -0.31 0 O-C-N 125.343 1.652 . . . . 0.0 109.791 178.099 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.426 HD22 ' NH1' ' A' ' 53' ' ' ARG . 74.0 mt -116.38 93.51 4.26 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.11 0.881 . . . . 0.0 108.966 -179.42 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -90.94 32.61 0.99 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 114.599 -1.182 . . . . 0.0 111.466 -178.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.72 HD11 ' CE2' ' A' ' 49' ' ' TYR . 2.0 tp 64.66 103.25 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.385 0 O-C-N 123.94 0.775 . . . . 0.0 111.717 179.211 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.607 ' HG2' HH21 ' A' ' 51' ' ' ARG . 2.6 mtt180 -125.81 94.38 4.1 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 114.91 -1.041 . . . . 0.0 109.073 179.174 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.72 ' CE2' HD11 ' A' ' 47' ' ' LEU . 39.0 m-85 -69.38 -26.58 64.72 Favored 'General case' 0 C--N 1.328 -0.344 0 O-C-N 124.418 1.074 . . . . 0.0 112.043 -178.868 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 34.4 p-10 -87.92 -10.92 49.14 Favored 'General case' 0 C--N 1.323 -0.574 0 O-C-N 124.545 1.153 . . . . 0.0 111.627 179.348 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.607 HH21 ' HG2' ' A' ' 48' ' ' ARG . 3.2 ttp180 -110.27 126.19 53.91 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 123.962 0.789 . . . . 0.0 110.32 -179.721 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.572 HG22 HG13 ' A' ' 69' ' ' VAL . 93.1 t -114.1 105.3 18.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.318 1.011 . . . . 0.0 110.062 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.426 ' NH1' HD22 ' A' ' 45' ' ' LEU . 42.8 mtm-85 -88.61 130.19 35.33 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 114.828 -1.078 . . . . 0.0 110.928 179.719 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.632 HG13 ' HB3' ' A' ' 67' ' ' PRO . 2.6 t -115.04 160.72 14.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.155 0.909 . . . . 0.0 109.537 -179.766 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.457 ' O ' HG13 ' A' ' 63' ' ' VAL . 7.0 m-85 -128.3 134.31 48.89 Favored 'General case' 0 C--N 1.327 -0.39 0 O-C-N 124.449 1.093 . . . . 0.0 111.073 179.814 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 14.7 p90 -135.84 166.66 22.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.339 1.024 . . . . 0.0 110.05 179.492 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -86.62 133.72 39.3 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.332 1.02 . . . . 0.0 110.128 -179.406 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 27.6 Cg_endo -77.82 6.4 4.58 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.311 1.69 . . . . 0.0 112.629 179.472 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -94.85 -65.31 0.99 Allowed Glycine 0 CA--C 1.528 0.897 0 O-C-N 124.156 0.91 . . . . 0.0 112.006 -179.574 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.488 HG23 HG23 ' A' ' 62' ' ' VAL . 11.2 t -110.82 16.49 21.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.412 0.713 . . . . 0.0 111.725 -179.383 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 10.5 m120 53.68 25.68 5.21 Favored 'General case' 0 C--O 1.239 0.501 0 CA-C-N 115.856 -0.611 . . . . 0.0 112.51 178.44 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.488 HG23 HG23 ' A' ' 60' ' ' THR . 82.9 t -100.94 145.67 10.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.141 0.901 . . . . 0.0 110.734 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.457 HG13 ' O ' ' A' ' 55' ' ' PHE . 25.1 t -81.49 132.47 31.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 114.797 -1.092 . . . . 0.0 109.678 179.765 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 35.2 p30 -143.95 26.81 1.51 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.582 1.176 . . . . 0.0 109.273 179.763 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.536 ' CE1' ' CB ' ' A' ' 39' ' ' GLU . 38.2 m80 -135.9 123.58 22.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.388 1.055 . . . . 0.0 109.322 179.551 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 76.2 t -57.94 111.01 2.95 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.776 1.298 . . . . 0.0 109.206 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.632 ' HB3' HG13 ' A' ' 54' ' ' VAL . 42.6 Cg_endo -81.55 142.51 13.04 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.556 1.819 . . . . 0.0 110.641 -179.625 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 8.9 p80 -143.88 162.2 36.73 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.369 1.043 . . . . 0.0 110.201 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.572 HG13 HG22 ' A' ' 52' ' ' VAL . 9.5 t -85.03 140.79 15.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.709 1.256 . . . . 0.0 108.67 179.226 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.068 0 O-C-N 124.315 1.01 . . . . 0.0 110.883 -179.767 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 65.4 p . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 110.34 -0.244 . . . . 0.0 110.34 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -146.58 27.45 1.11 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 110.219 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 10.7 m-85 -61.47 -31.45 71.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.14 . . . . 0.0 111.001 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 126.89 4.12 6.18 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.407 1.067 . . . . 0.0 112.943 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.9 t -151.65 137.41 17.97 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.205 0.591 . . . . 0.0 110.047 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 44.9 mm-40 -116.1 -177.34 3.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.409 1.068 . . . . 0.0 110.183 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 74.29 85.08 0.1 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.621 1.201 . . . . 0.0 109.265 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.424 ' HB2' ' HB ' ' A' ' 69' ' ' VAL . 25.4 mmtm -58.38 124.59 20.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.435 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 96.7 p -145.12 143.47 30.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.142 . . . . 0.0 109.978 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -123.09 97.47 43.35 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.581 1.176 . . . . 0.0 110.706 179.739 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 11.5 Cg_endo -71.53 -9.98 26.02 Favored 'Trans proline' 0 C--N 1.364 1.361 0 O-C-N 124.344 1.708 . . . . 0.0 112.618 -179.317 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -72.14 -22.5 61.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.214 0.946 . . . . 0.0 110.583 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 3.5 t -91.14 46.06 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.445 1.091 . . . . 0.0 109.638 -179.821 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.1 t -116.05 120.07 63.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.472 1.108 . . . . 0.0 109.045 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 105.71 -23.05 30.66 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.529 1.143 . . . . 0.0 110.634 -179.551 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 22.2 mttm -71.53 162.66 29.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.711 0.889 . . . . 0.0 108.64 179.821 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -100.07 164.09 12.14 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.039 0.837 . . . . 0.0 110.254 -179.394 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.542 HG13 ' CG ' ' A' ' 36' ' ' PHE . 94.4 t -46.89 -59.43 0.67 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.551 0 O-C-N 124.206 0.941 . . . . 0.0 112.013 179.639 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -49.32 -39.35 30.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.241 0.963 . . . . 0.0 111.42 -179.004 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 8.7 mm100 -64.71 -50.76 65.67 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.327 1.017 . . . . 0.0 110.071 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.66 -3.14 16.93 Favored 'General case' 0 N--CA 1.452 -0.326 0 O-C-N 124.74 1.275 . . . . 0.0 113.0 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.26 -46.18 14.02 Favored 'General case' 0 C--N 1.322 -0.624 0 O-C-N 124.704 1.252 . . . . 0.0 109.45 179.664 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -71.53 -26.17 62.54 Favored 'General case' 0 C--N 1.328 -0.354 0 O-C-N 124.55 1.156 . . . . 0.0 109.982 179.752 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 74.6 t80 -74.76 -50.41 17.45 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.349 1.031 . . . . 0.0 111.221 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.544 ' CD2' HG21 ' A' ' 34' ' ' VAL . 3.8 m-85 -68.63 -24.42 64.56 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.408 1.068 . . . . 0.0 111.76 -179.643 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 3.9 m -76.19 -33.65 59.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.242 0.964 . . . . 0.0 111.849 -179.678 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 19.8 mt -85.87 -47.92 9.23 Favored 'General case' 0 N--CA 1.45 -0.443 0 N-CA-C 114.078 1.14 . . . . 0.0 114.078 -178.122 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.522 ' HB2' ' CD1' ' A' ' 29' ' ' TYR . 30.1 m-70 -86.05 -32.53 21.38 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 123.976 0.798 . . . . 0.0 113.005 -178.02 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.522 ' CD1' ' HB2' ' A' ' 28' ' ' HIS . 18.9 m-85 -124.19 62.88 30.9 Favored Pre-proline 0 C--O 1.241 0.634 0 N-CA-C 114.494 1.294 . . . . 0.0 114.494 -178.366 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -72.49 0.38 7.59 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 123.57 1.3 . . . . 0.0 112.982 179.609 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 9.0 pm0 -117.36 22.92 12.14 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.167 0.917 . . . . 0.0 110.417 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.414 ' HB2' ' HB3' ' A' ' 29' ' ' TYR 0.272 3.3 m-85 -128.97 125.86 38.34 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 114.824 -1.08 . . . . 0.0 109.999 -179.309 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -90.95 102.16 14.92 Favored 'General case' 0 C--N 1.323 -0.58 0 O-C-N 124.268 0.98 . . . . 0.0 108.765 179.134 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.63 HG22 ' HB ' ' A' ' 52' ' ' VAL . 2.6 t -86.74 150.82 3.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.52 -179.435 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -137.25 117.82 13.88 Favored 'General case' 0 C--N 1.328 -0.35 0 O-C-N 124.412 1.07 . . . . 0.0 110.937 179.681 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.542 ' CG ' HG13 ' A' ' 18' ' ' VAL . 48.1 m-85 -97.97 123.7 42.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.241 0.963 . . . . 0.0 110.5 179.741 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.582 HD21 ' HD3' ' A' ' 53' ' ' ARG . 0.6 OUTLIER -149.08 164.74 19.88 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.276 0.985 . . . . 0.0 109.525 -179.526 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.444 ' HD2' ' HB2' ' A' ' 37' ' ' LEU . 2.5 Cg_endo -71.49 142.7 41.11 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.41 1.742 . . . . 0.0 110.629 179.456 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -63.39 170.59 2.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.599 1.187 . . . . 0.0 110.594 -179.846 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.414 ' C ' ' HD3' ' A' ' 42' ' ' PRO . . . 108.01 -16.26 36.22 Favored Glycine 0 CA--C 1.528 0.884 0 O-C-N 124.329 1.018 . . . . 0.0 112.434 179.466 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 70.8 m -104.94 68.6 0.16 Allowed Pre-proline 0 C--O 1.26 1.623 0 N-CA-C 117.959 2.577 . . . . 0.0 117.959 179.424 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.414 ' HD3' ' C ' ' A' ' 40' ' ' GLY . 36.8 Cg_endo -72.52 136.12 25.47 Favored 'Trans proline' 0 C--N 1.36 1.169 0 C-N-CA 121.078 1.185 . . . . 0.0 110.823 179.53 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.553 HG13 HD21 ' A' ' 45' ' ' LEU . 0.1 OUTLIER -144.4 168.25 10.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.34 1.025 . . . . 0.0 109.047 -179.829 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.1 p -76.94 88.95 3.5 Favored 'General case' 0 CA--C 1.534 0.329 0 O-C-N 124.895 1.372 . . . . 0.0 109.191 178.206 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.553 HD21 HG13 ' A' ' 43' ' ' VAL . 18.0 mt -98.29 61.69 1.45 Allowed 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 114.821 -1.081 . . . . 0.0 110.715 -178.742 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -111.29 -42.14 3.98 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 114.989 -1.005 . . . . 0.0 109.833 -179.269 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 42.7 tp -59.48 -47.36 85.8 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 115.227 -0.897 . . . . 0.0 113.146 -178.627 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.467 ' HG3' ' CZ ' ' A' ' 51' ' ' ARG . 3.0 mmp_? -88.04 85.33 6.95 Favored 'General case' 0 C--N 1.322 -0.59 0 O-C-N 123.907 0.754 . . . . 0.0 112.439 -179.194 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.401 ' HA ' ' HA2' ' A' ' 70' ' ' GLY . 18.4 m-85 -78.83 -21.8 47.1 Favored 'General case' 0 N--CA 1.451 -0.392 0 O-C-N 124.207 0.942 . . . . 0.0 110.832 179.502 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -87.53 -12.99 44.21 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.557 1.161 . . . . 0.0 111.87 179.801 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.467 ' CZ ' ' HG3' ' A' ' 48' ' ' ARG . 2.9 ttp180 -107.54 118.54 36.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 123.955 0.784 . . . . 0.0 109.995 -179.71 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.63 ' HB ' HG22 ' A' ' 34' ' ' VAL . 2.0 t -93.64 147.05 5.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 O-C-N 124.314 1.009 . . . . 0.0 110.662 -179.576 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.582 ' HD3' HD21 ' A' ' 37' ' ' LEU . 1.4 mtt-85 -121.24 88.2 2.89 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 114.621 -1.172 . . . . 0.0 109.154 179.269 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.452 HG11 ' CE1' ' A' ' 36' ' ' PHE . 59.3 t -85.5 152.55 3.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 O-C-N 124.704 1.252 . . . . 0.0 109.706 -179.709 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.427 ' HB2' ' HB2' ' A' ' 65' ' ' HIS . 40.4 m-85 -125.55 145.34 50.16 Favored 'General case' 0 N--CA 1.452 -0.373 0 O-C-N 124.472 1.107 . . . . 0.0 111.829 -179.786 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 2.6 p90 -142.12 169.96 16.6 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.532 1.145 . . . . 0.0 110.188 179.573 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.436 ' HA ' ' HD3' ' A' ' 58' ' ' PRO . 19.2 t-20 -84.59 128.58 60.73 Favored Pre-proline 0 C--N 1.324 -0.531 0 CA-C-N 115.465 -0.788 . . . . 0.0 110.438 -179.236 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 57' ' ' ASN . 25.2 Cg_endo -80.73 81.98 2.59 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.521 1.8 . . . . 0.0 110.729 179.349 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -168.78 -57.31 0.03 OUTLIER Glycine 0 CA--C 1.532 1.116 0 O-C-N 124.512 1.132 . . . . 0.0 110.721 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.486 HG23 ' H ' ' A' ' 61' ' ' ASN . 0.1 OUTLIER -119.63 -77.17 0.57 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.613 0.831 . . . . 0.0 110.203 179.611 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.486 ' H ' HG23 ' A' ' 60' ' ' THR . 1.2 p30 161.17 84.98 0.0 OUTLIER 'General case' 0 CA--C 1.541 0.607 0 O-C-N 124.223 0.952 . . . . 0.0 108.662 178.017 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.427 HG12 ' N ' ' A' ' 63' ' ' VAL . 24.0 t -144.77 159.56 14.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 O-C-N 124.525 1.141 . . . . 0.0 108.917 179.426 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.427 ' N ' HG12 ' A' ' 62' ' ' VAL . 90.2 t -109.65 115.88 50.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 O-C-N 124.622 1.201 . . . . 0.0 108.994 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -120.45 23.28 10.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.772 1.295 . . . . 0.0 110.197 -179.57 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.427 ' HB2' ' HB2' ' A' ' 55' ' ' PHE . 45.3 m-70 -144.68 125.3 14.09 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.407 1.067 . . . . 0.0 109.538 179.868 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 12.4 t -61.73 113.12 7.42 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.574 1.172 . . . . 0.0 109.118 179.758 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_endo -78.11 128.23 8.93 Favored 'Trans proline' 0 C--N 1.358 1.07 0 O-C-N 124.567 1.825 . . . . 0.0 110.52 -179.613 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 7.7 p-80 -120.41 163.77 17.39 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.342 1.026 . . . . 0.0 109.87 -179.499 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.424 ' HB ' ' HB2' ' A' ' 8' ' ' LYS . 1.5 t -83.32 146.65 6.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.129 . . . . 0.0 109.565 179.516 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.401 ' HA2' ' HA ' ' A' ' 49' ' ' TYR . . . . . . . . 0 CA--C 1.534 1.247 0 O-C-N 124.611 1.194 . . . . 0.0 110.52 -179.6 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 110.405 -0.22 . . . . 0.0 110.405 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -73.71 -172.26 1.22 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 110.242 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 60.51 177.78 0.1 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 0.0 110.938 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -120.08 -2.31 12.49 Favored Glycine 0 CA--C 1.529 0.925 0 O-C-N 124.504 1.127 . . . . 0.0 112.958 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.5 t -52.94 147.57 9.02 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.175 0.574 . . . . 0.0 109.835 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.772 ' O ' ' OXT' ' A' ' 70' ' ' GLY . 38.5 mt-10 -150.05 145.49 26.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 111.2 -179.742 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.668 ' HB2' ' OXT' ' A' ' 70' ' ' GLY . 0.2 OUTLIER 63.8 -177.27 0.16 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.362 1.039 . . . . 0.0 109.9 179.348 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 37.0 mmtm -73.1 170.57 14.63 Favored 'General case' 0 N--CA 1.448 -0.569 0 CA-C-N 114.887 -1.051 . . . . 0.0 111.494 -179.073 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -148.38 134.31 19.09 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 114.268 -1.333 . . . . 0.0 108.807 179.578 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -114.76 76.7 4.29 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.597 1.186 . . . . 0.0 113.374 -179.154 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.441 ' HA ' HG13 ' A' ' 66' ' ' VAL . 22.2 Cg_endo -70.82 -16.15 33.09 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.223 1.644 . . . . 0.0 113.064 179.843 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 46.9 tt0 -74.12 -15.02 61.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.111 0.882 . . . . 0.0 111.957 -179.478 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 8.5 t -91.18 48.16 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.316 1.01 . . . . 0.0 109.959 -179.673 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 71.7 t -118.79 133.66 64.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.388 1.055 . . . . 0.0 109.326 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 97.31 -14.76 63.19 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.436 1.085 . . . . 0.0 111.956 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.47 ' C ' HG22 ' A' ' 17' ' ' THR . 36.5 mttt -74.02 -131.71 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.559 0 O-C-N 124.409 0.711 . . . . 0.0 109.269 -179.174 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.47 HG22 ' C ' ' A' ' 16' ' ' LYS . 0.3 OUTLIER -168.34 163.3 12.84 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.468 0.651 . . . . 0.0 111.287 -179.249 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 22.1 t -49.47 -53.0 10.35 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.429 0 CA-C-N 115.061 -0.972 . . . . 0.0 111.99 -179.505 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -57.68 -41.99 82.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 123.964 0.79 . . . . 0.0 111.42 -179.138 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.416 ' HG2' ' HB3' ' A' ' 16' ' ' LYS . 14.2 tp60 -63.17 -53.59 50.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.242 0.964 . . . . 0.0 110.084 -179.785 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.53 -0.67 13.38 Favored 'General case' 0 N--CA 1.452 -0.368 0 O-C-N 124.647 1.217 . . . . 0.0 113.086 -179.648 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.405 ' HD3' ' HA ' ' A' ' 22' ' ' ARG . 0.2 OUTLIER -81.76 -46.86 13.65 Favored 'General case' 0 C--N 1.321 -0.632 0 O-C-N 124.464 1.102 . . . . 0.0 108.996 179.617 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -78.01 -24.72 47.84 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 114.631 -1.168 . . . . 0.0 110.851 -179.753 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 62.3 t80 -75.7 -50.09 16.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.261 0.975 . . . . 0.0 113.118 -179.116 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 19.4 m-85 -73.12 -21.36 60.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.34 1.025 . . . . 0.0 111.878 -179.355 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.8 m -77.15 -34.6 56.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.32 1.013 . . . . 0.0 112.008 -179.663 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 16.3 mt -86.65 -46.32 10.18 Favored 'General case' 0 N--CA 1.451 -0.412 0 O-C-N 124.183 0.927 . . . . 0.0 113.442 -178.351 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 31.6 m-70 -85.43 -36.18 20.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.119 0.887 . . . . 0.0 112.862 -178.426 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 13.0 m-85 -121.19 53.49 3.59 Favored Pre-proline 0 C--N 1.323 -0.549 0 N-CA-C 114.147 1.166 . . . . 0.0 114.147 -178.508 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -67.39 -10.03 27.29 Favored 'Trans proline' 0 C--N 1.359 1.089 0 O-C-N 123.852 1.449 . . . . 0.0 113.075 -179.039 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -97.36 18.09 15.99 Favored 'General case' 0 N--CA 1.451 -0.377 0 O-C-N 124.325 1.016 . . . . 0.0 112.091 -179.225 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . 0.268 3.6 m-85 -129.52 133.16 47.1 Favored 'General case' 0 C--N 1.322 -0.606 0 O-C-N 124.133 0.896 . . . . 0.0 110.555 -178.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 15.4 t0 -92.84 102.79 15.18 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.303 1.002 . . . . 0.0 108.688 179.221 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.488 HG22 ' HB ' ' A' ' 52' ' ' VAL . 2.5 t -86.22 148.53 4.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.449 1.093 . . . . 0.0 110.23 -179.598 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.424 ' CE1' ' HG3' ' A' ' 51' ' ' ARG . 21.7 m-85 -136.37 114.41 11.41 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 114.87 -1.059 . . . . 0.0 110.636 179.751 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.44 ' O ' HD23 ' A' ' 37' ' ' LEU . 64.6 m-85 -91.88 129.33 37.87 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.29 0.994 . . . . 0.0 110.984 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.44 HD23 ' O ' ' A' ' 36' ' ' PHE . 0.6 OUTLIER -144.42 164.14 30.29 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.348 1.03 . . . . 0.0 109.017 -179.935 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 24.8 Cg_endo -78.58 148.04 22.78 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.42 1.747 . . . . 0.0 110.981 179.659 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.514 ' HB3' ' CE1' ' A' ' 65' ' ' HIS . 1.4 pt-20 -57.24 175.07 0.16 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 110.716 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.417 ' C ' ' CD ' ' A' ' 42' ' ' PRO . . . 92.41 -5.75 77.73 Favored Glycine 0 CA--C 1.527 0.831 0 O-C-N 124.396 1.06 . . . . 0.0 113.233 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.438 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 53.0 p -108.98 41.25 0.13 Allowed Pre-proline 0 C--O 1.251 1.173 0 N-CA-C 117.411 2.374 . . . . 0.0 117.411 179.488 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.438 ' CD ' ' N ' ' A' ' 41' ' ' SER . 11.8 Cg_endo -64.0 127.69 20.02 Favored 'Trans proline' 0 C--N 1.359 1.125 0 C-N-CA 121.383 1.388 . . . . 0.0 110.839 -179.487 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.557 HG13 ' N ' ' A' ' 44' ' ' THR . 1.0 OUTLIER -150.03 -158.76 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.41 1.069 . . . . 0.0 109.09 -179.521 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.557 ' N ' HG13 ' A' ' 43' ' ' VAL . 0.6 OUTLIER -89.7 94.51 9.87 Favored 'General case' 0 N--CA 1.451 -0.401 0 O-C-N 124.966 1.417 . . . . 0.0 109.485 178.044 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.504 HD23 ' NE ' ' A' ' 53' ' ' ARG . 0.2 OUTLIER -92.01 26.75 2.35 Favored 'General case' 0 N--CA 1.45 -0.431 0 O-C-N 124.351 1.032 . . . . 0.0 110.924 -179.141 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -102.07 -26.85 13.23 Favored 'General case' 0 N--CA 1.447 -0.596 0 O-C-N 124.247 0.967 . . . . 0.0 109.212 179.849 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 12.8 tp -51.0 -20.36 1.34 Allowed 'General case' 0 N--CA 1.449 -0.479 0 O-C-N 124.312 1.008 . . . . 0.0 111.91 -179.464 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.443 ' HB3' ' HB3' ' A' ' 51' ' ' ARG . 4.4 mmt-85 -127.77 113.91 16.59 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.131 0.894 . . . . 0.0 110.338 -179.59 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.483 ' HB3' HD11 ' A' ' 7' ' ' LEU . 21.1 m-30 -88.69 -29.41 19.9 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 114.209 1.188 . . . . 0.0 114.209 -179.116 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 15.8 p-10 -91.18 -12.77 34.39 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.464 1.102 . . . . 0.0 112.483 -178.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.443 ' HB3' ' HB3' ' A' ' 48' ' ' ARG . 8.4 ttm180 -112.94 124.09 51.81 Favored 'General case' 0 C--N 1.323 -0.571 0 O-C-N 124.057 0.848 . . . . 0.0 110.356 -179.443 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.488 ' HB ' HG22 ' A' ' 34' ' ' VAL . 47.1 t -98.36 146.83 7.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 O-C-N 124.393 1.058 . . . . 0.0 109.524 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.504 ' NE ' HD23 ' A' ' 45' ' ' LEU . 1.9 mtm180 -118.74 95.24 4.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.384 1.052 . . . . 0.0 109.574 179.761 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.597 HG13 ' HB3' ' A' ' 67' ' ' PRO . 9.7 t -88.24 156.38 3.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.694 1.247 . . . . 0.0 110.094 -179.598 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.435 ' O ' HG13 ' A' ' 63' ' ' VAL . 45.0 m-85 -128.49 147.47 50.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.414 1.071 . . . . 0.0 110.798 179.646 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 10.5 p90 -147.88 166.44 27.63 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.593 1.183 . . . . 0.0 111.584 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -85.78 138.66 35.33 Favored Pre-proline 0 C--N 1.326 -0.425 0 CA-C-N 114.821 -1.081 . . . . 0.0 109.393 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 30.7 Cg_endo -80.95 9.98 3.58 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.38 1.727 . . . . 0.0 112.525 179.641 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -91.08 -87.34 1.41 Allowed Glycine 0 CA--C 1.529 0.93 0 O-C-N 124.166 0.916 . . . . 0.0 110.99 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 14.9 t -91.92 2.81 56.29 Favored 'General case' 0 N--CA 1.449 -0.484 0 O-C-N 124.395 0.703 . . . . 0.0 112.491 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 3.6 m120 66.71 67.15 0.43 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.175 0.922 . . . . 0.0 109.285 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 2.1 t -135.84 140.48 44.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.402 1.064 . . . . 0.0 109.333 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.435 HG13 ' O ' ' A' ' 55' ' ' PHE . 41.0 t -75.67 141.37 15.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.414 1.071 . . . . 0.0 109.442 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.403 HD21 ' CE1' ' A' ' 65' ' ' HIS . 1.1 p30 -149.26 29.34 0.79 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.452 1.095 . . . . 0.0 110.008 -179.708 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.514 ' CE1' ' HB3' ' A' ' 39' ' ' GLU . 33.2 m80 -147.94 123.54 10.45 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 115.199 -0.91 . . . . 0.0 109.346 179.562 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.441 HG13 ' HA ' ' A' ' 11' ' ' PRO . 89.0 t -54.28 109.26 1.44 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.734 1.271 . . . . 0.0 109.567 179.799 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.597 ' HB3' HG13 ' A' ' 54' ' ' VAL . 45.4 Cg_endo -84.17 91.55 0.82 Allowed 'Trans proline' 0 C--N 1.358 1.057 0 O-C-N 124.443 1.759 . . . . 0.0 110.744 179.557 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -90.77 162.3 14.93 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.138 0.899 . . . . 0.0 110.052 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.571 ' O ' ' OXT' ' A' ' 70' ' ' GLY . 15.9 t -87.68 160.17 2.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 O-C-N 124.427 1.08 . . . . 0.0 109.346 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.772 ' OXT' ' O ' ' A' ' 6' ' ' GLU . . . . . . . . 0 CA--C 1.53 1.015 0 O-C-N 124.579 1.174 . . . . 0.0 110.93 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.454 -0.243 0 N-CA-C 110.404 -0.221 . . . . 0.0 110.404 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -68.5 -157.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 110.195 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -88.12 -86.05 0.17 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 111.119 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -138.56 5.4 3.17 Favored Glycine 0 CA--C 1.528 0.905 0 O-C-N 124.237 0.961 . . . . 0.0 113.179 -179.783 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -176.59 -154.65 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.274 0.632 . . . . 0.0 109.952 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -134.23 132.33 39.57 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.362 1.039 . . . . 0.0 110.357 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.7 mt 65.3 169.42 0.2 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 109.504 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.42 116.59 2.73 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 0.0 109.408 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -144.08 161.19 39.43 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.379 1.049 . . . . 0.0 109.949 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -135.14 104.75 10.38 Favored Pre-proline 0 N--CA 1.45 -0.464 0 O-C-N 124.373 1.045 . . . . 0.0 112.007 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 15.0 Cg_endo -71.62 -11.13 27.71 Favored 'Trans proline' 0 C--N 1.363 1.326 0 O-C-N 124.147 1.604 . . . . 0.0 112.507 -179.464 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -76.02 -18.61 59.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.062 0.851 . . . . 0.0 111.466 -179.651 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.467 ' HA ' ' CE ' ' A' ' 16' ' ' LYS . 19.6 t -91.67 50.82 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.294 0.996 . . . . 0.0 109.878 -179.598 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 24.6 t -139.43 120.98 15.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.385 1.053 . . . . 0.0 109.217 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 110.27 -31.13 7.65 Favored Glycine 0 CA--C 1.528 0.891 0 O-C-N 124.502 1.126 . . . . 0.0 112.163 179.767 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.467 ' CE ' ' HA ' ' A' ' 13' ' ' VAL . 0.1 OUTLIER -79.35 162.45 25.56 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.368 0.687 . . . . 0.0 109.184 -179.028 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.683 HG22 HG22 ' A' ' 62' ' ' VAL . 65.3 p -91.08 169.73 10.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.036 0.835 . . . . 0.0 110.269 179.84 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.527 HG13 ' CD1' ' A' ' 36' ' ' PHE . 20.6 t -48.72 -58.39 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 111.718 -179.856 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -50.62 -39.63 50.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.322 1.014 . . . . 0.0 111.013 -179.171 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 6.6 mm100 -63.65 -52.7 59.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.457 1.098 . . . . 0.0 110.206 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.85 -0.33 13.16 Favored 'General case' 0 N--CA 1.451 -0.388 0 O-C-N 124.604 1.19 . . . . 0.0 113.049 -179.798 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -83.54 -46.74 12.08 Favored 'General case' 0 C--N 1.321 -0.657 0 O-C-N 124.441 1.088 . . . . 0.0 109.543 -179.857 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -72.92 -26.17 61.31 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 114.659 -1.155 . . . . 0.0 110.137 179.692 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 68.1 t80 -70.06 -52.04 27.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.561 1.163 . . . . 0.0 111.331 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.517 ' CG ' HG21 ' A' ' 34' ' ' VAL . 5.1 m-85 -69.82 -26.28 64.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.539 1.149 . . . . 0.0 110.844 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 7.4 m -78.23 -34.61 49.13 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 112.179 -179.534 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 25.6 mt -80.14 -48.78 12.66 Favored 'General case' 0 N--CA 1.448 -0.545 0 N-CA-C 113.587 0.958 . . . . 0.0 113.587 -178.378 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 15.2 m80 -87.77 -34.97 18.13 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.171 0.92 . . . . 0.0 113.319 -177.642 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 40.5 m-85 -123.76 56.64 10.9 Favored Pre-proline 0 C--N 1.324 -0.516 0 N-CA-C 114.313 1.227 . . . . 0.0 114.313 -178.359 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -69.01 -7.41 20.76 Favored 'Trans proline' 0 C--N 1.358 1.055 0 O-C-N 123.949 1.5 . . . . 0.0 113.28 -179.064 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -102.31 17.56 23.16 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.448 1.092 . . . . 0.0 111.811 -179.498 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . 0.259 1.8 m-85 -124.66 134.96 52.71 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.226 -0.897 . . . . 0.0 109.958 179.807 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 15.7 t0 -89.32 92.19 9.06 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.518 1.136 . . . . 0.0 108.569 178.664 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.517 HG21 ' CG ' ' A' ' 25' ' ' PHE . 2.5 t -85.35 150.14 4.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.537 1.148 . . . . 0.0 109.935 -179.636 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.537 ' HE2' HH11 ' A' ' 51' ' ' ARG . 1.8 m-85 -123.39 156.79 34.76 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.323 1.015 . . . . 0.0 110.803 179.802 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.527 ' CD1' HG13 ' A' ' 18' ' ' VAL . 14.7 m-85 -143.01 107.89 4.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 110.972 -179.868 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.406 ' HB2' ' HD2' ' A' ' 38' ' ' PRO . 0.9 OUTLIER -143.3 166.54 19.53 Favored Pre-proline 0 C--N 1.326 -0.425 0 O-C-N 124.315 1.009 . . . . 0.0 109.195 -179.86 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.406 ' HD2' ' HB2' ' A' ' 37' ' ' LEU . 18.7 Cg_endo -74.49 159.43 43.06 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.539 1.81 . . . . 0.0 111.214 -179.592 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.543 ' CG ' ' CE1' ' A' ' 65' ' ' HIS . 15.3 mt-10 -53.53 169.14 0.14 Allowed 'General case' 0 N--CA 1.448 -0.568 0 O-C-N 124.399 1.062 . . . . 0.0 111.183 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.423 ' C ' ' CD ' ' A' ' 42' ' ' PRO . . . 103.5 -7.22 50.33 Favored Glycine 0 CA--C 1.527 0.794 0 O-C-N 124.459 1.1 . . . . 0.0 114.42 178.662 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.448 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 16.2 p -104.52 36.06 0.05 OUTLIER Pre-proline 0 C--O 1.249 1.033 0 N-CA-C 119.279 3.066 . . . . 0.0 119.279 179.267 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.448 ' CD ' ' N ' ' A' ' 41' ' ' SER . 27.8 Cg_endo -71.85 133.09 21.15 Favored 'Trans proline' 0 C--N 1.358 1.038 0 C-N-CA 121.315 1.343 . . . . 0.0 110.709 179.391 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.546 HG13 ' N ' ' A' ' 44' ' ' THR . 0.9 OUTLIER -150.11 -160.03 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.357 1.036 . . . . 0.0 109.085 -179.618 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.546 ' N ' HG13 ' A' ' 43' ' ' VAL . 0.7 OUTLIER -85.65 84.18 7.66 Favored 'General case' 0 N--CA 1.449 -0.519 0 O-C-N 124.907 1.379 . . . . 0.0 109.242 177.839 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.576 ' O ' ' OXT' ' A' ' 70' ' ' GLY . 0.8 OUTLIER -55.84 -38.32 69.9 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 114.302 -1.317 . . . . 0.0 113.071 -178.516 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -54.44 100.07 0.03 OUTLIER 'General case' 0 N--CA 1.446 -0.627 0 O-C-N 123.983 0.802 . . . . 0.0 110.222 -179.851 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 17.9 tp -172.94 -79.94 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.337 1.023 . . . . 0.0 109.318 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.463 ' CB ' ' HB3' ' A' ' 51' ' ' ARG . 14.5 mmt180 -84.86 118.38 24.46 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 114.627 -1.17 . . . . 0.0 110.454 179.574 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 63.6 m-85 -86.1 -33.79 20.83 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 113.199 0.814 . . . . 0.0 113.199 -178.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 48.7 p-10 -87.87 -11.35 47.99 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.442 1.089 . . . . 0.0 111.797 179.441 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.537 HH11 ' HE2' ' A' ' 35' ' ' TYR . 3.1 ttm180 -106.8 113.23 26.6 Favored 'General case' 0 C--N 1.323 -0.577 0 O-C-N 123.988 0.805 . . . . 0.0 109.664 179.801 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.928 HG22 HG22 ' A' ' 69' ' ' VAL . 46.8 t -105.45 154.53 6.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 O-C-N 124.355 1.034 . . . . 0.0 110.756 -179.313 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.421 ' HA ' ' HB2' ' A' ' 35' ' ' TYR . 46.2 mtt180 -122.24 136.54 54.92 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 114.751 -1.113 . . . . 0.0 109.511 179.821 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 21.6 t -123.91 154.76 30.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.637 1.211 . . . . 0.0 109.862 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 63.8 m-85 -126.17 140.59 52.44 Favored 'General case' 0 C--N 1.327 -0.392 0 O-C-N 124.464 1.102 . . . . 0.0 111.257 179.755 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 13.0 p90 -139.76 170.37 16.01 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 114.919 -1.037 . . . . 0.0 110.435 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -87.68 129.75 49.58 Favored Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.313 1.008 . . . . 0.0 109.505 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_endo -85.03 37.85 0.63 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.236 1.65 . . . . 0.0 113.266 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -141.81 -63.86 0.03 OUTLIER Glycine 0 CA--C 1.531 1.052 0 N-CA-C 110.585 -1.006 . . . . 0.0 110.585 179.663 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 9.3 t -88.13 -18.5 28.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 0.784 . . . . 0.0 111.064 179.521 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 69.81 63.12 0.25 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.206 0.941 . . . . 0.0 109.033 -179.677 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.683 HG22 HG22 ' A' ' 17' ' ' THR . 96.2 t -142.21 143.28 26.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.578 1.174 . . . . 0.0 109.827 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 66.1 t -80.99 129.67 37.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 114.99 -1.005 . . . . 0.0 109.091 179.721 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -142.1 35.55 1.54 Allowed 'General case' 0 C--N 1.327 -0.386 0 O-C-N 124.517 1.135 . . . . 0.0 110.505 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.543 ' CE1' ' CG ' ' A' ' 39' ' ' GLU . 14.9 m80 -148.55 123.83 10.22 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.351 1.032 . . . . 0.0 109.331 179.582 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 60.4 t -57.4 110.3 2.37 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.778 1.299 . . . . 0.0 109.117 179.572 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.434 ' HG2' ' HB ' ' A' ' 13' ' ' VAL . 56.1 Cg_endo -83.76 111.36 1.71 Allowed 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.445 1.761 . . . . 0.0 111.576 -179.28 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.427 ' CE1' HD13 ' A' ' 45' ' ' LEU . 0.4 OUTLIER -106.17 164.62 11.85 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.1 -0.955 . . . . 0.0 109.246 179.761 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.928 HG22 HG22 ' A' ' 52' ' ' VAL . 1.4 t -81.76 143.52 12.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.647 1.217 . . . . 0.0 108.947 178.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.576 ' OXT' ' O ' ' A' ' 45' ' ' LEU . . . . . . . . 0 CA--C 1.53 1.005 0 O-C-N 124.375 1.047 . . . . 0.0 110.704 -179.746 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 1.2 p . . . . . 0 N--CA 1.452 -0.354 0 N-CA-C 110.413 -0.217 . . . . 0.0 110.413 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -52.42 161.1 0.72 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.112 . . . . 0.0 110.231 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -163.98 -41.44 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.391 0 O-C-N 124.446 1.091 . . . . 0.0 111.294 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -124.23 3.21 9.0 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.507 1.129 . . . . 0.0 112.931 -179.783 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.7 t -84.19 87.57 7.18 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.217 0.598 . . . . 0.0 109.858 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 31.3 mm-40 -152.74 101.01 2.58 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.588 1.18 . . . . 0.0 110.73 -179.731 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.2 mp -110.33 75.07 0.91 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.474 1.109 . . . . 0.0 108.952 179.667 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.419 ' HB2' ' HB ' ' A' ' 69' ' ' VAL . 9.3 mtmm -71.77 125.36 26.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 110.451 -179.495 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.9 p -149.42 127.27 11.81 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.011 -0.995 . . . . 0.0 109.474 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -122.21 98.01 44.81 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 111.226 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.544 ' HA ' HG13 ' A' ' 66' ' ' VAL . 10.9 Cg_endo -71.08 -8.9 24.57 Favored 'Trans proline' 0 C--N 1.366 1.484 0 O-C-N 124.046 1.551 . . . . 0.0 112.561 -179.758 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -79.67 8.13 7.15 Favored 'General case' 0 C--N 1.323 -0.566 0 O-C-N 123.994 0.809 . . . . 0.0 112.67 -179.141 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 59.9 t -95.27 -25.05 4.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 124.074 0.858 . . . . 0.0 110.207 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 6.4 t -60.26 125.26 16.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.552 -179.784 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 117.04 -39.29 2.71 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.507 1.129 . . . . 0.0 112.782 179.477 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.464 ' HB3' ' CG ' ' A' ' 20' ' ' GLN . 2.3 mtpt -77.1 166.36 23.38 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.325 0.662 . . . . 0.0 109.771 -179.017 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -100.32 166.99 10.69 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.121 . . . . 0.0 110.012 -179.645 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.657 HG13 ' CE2' ' A' ' 36' ' ' PHE . 24.1 t -46.24 -63.08 0.31 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.533 0 O-C-N 123.873 0.733 . . . . 0.0 112.597 -179.527 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 14.9 p-10 -50.44 -40.23 49.94 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 123.904 0.753 . . . . 0.0 111.804 -178.704 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.464 ' CG ' ' HB3' ' A' ' 16' ' ' LYS . 9.4 tp60 -63.68 -51.77 63.6 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.239 -0.891 . . . . 0.0 110.086 -179.867 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.78 -5.72 17.72 Favored 'General case' 0 N--CA 1.452 -0.339 0 O-C-N 124.398 1.061 . . . . 0.0 113.359 -179.655 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -80.64 -46.29 15.86 Favored 'General case' 0 C--N 1.32 -0.709 0 O-C-N 124.936 1.397 . . . . 0.0 109.031 179.167 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.24 -24.43 64.0 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 114.412 -1.267 . . . . 0.0 109.961 179.383 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.441 ' C ' ' CD1' ' A' ' 24' ' ' TYR . 3.7 t80 -65.54 -51.44 59.86 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 110.777 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.715 ' CD2' HG21 ' A' ' 34' ' ' VAL . 17.4 m-85 -68.7 -23.22 64.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 110.593 179.745 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 23.7 m -67.64 -30.33 69.87 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.319 1.012 . . . . 0.0 110.21 179.821 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 16.5 mt -86.44 -46.19 10.45 Favored 'General case' 0 N--CA 1.449 -0.49 0 N-CA-C 114.269 1.211 . . . . 0.0 114.269 -178.196 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 90.1 m-70 -86.24 -53.65 4.91 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.054 0.846 . . . . 0.0 113.234 -177.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 51.5 m-85 -119.26 75.47 15.92 Favored Pre-proline 0 C--N 1.323 -0.559 0 N-CA-C 114.052 1.13 . . . . 0.0 114.052 -178.329 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -73.9 2.12 6.34 Favored 'Trans proline' 0 C--N 1.359 1.091 0 O-C-N 123.817 1.43 . . . . 0.0 113.229 -178.798 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 6.3 pm0 -115.38 21.11 14.35 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.287 0.992 . . . . 0.0 110.705 179.59 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 1.6 m-30 -120.37 117.5 27.92 Favored 'General case' 0 C--N 1.322 -0.601 0 O-C-N 124.258 0.973 . . . . 0.0 110.273 179.55 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -85.74 102.59 13.77 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 107.856 -1.164 . . . . 0.0 107.856 177.299 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.715 HG21 ' CD2' ' A' ' 25' ' ' PHE . 2.5 t -84.85 150.64 3.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 O-C-N 124.536 1.148 . . . . 0.0 110.946 -178.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.417 ' HB2' ' HA ' ' A' ' 53' ' ' ARG . 6.6 m-30 -114.82 147.37 39.93 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.027 -0.988 . . . . 0.0 110.271 179.186 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.657 ' CE2' HG13 ' A' ' 18' ' ' VAL . 8.1 m-85 -128.38 115.65 18.57 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.684 1.24 . . . . 0.0 110.7 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.408 HD23 ' O ' ' A' ' 36' ' ' PHE . 3.5 mt -144.75 160.68 46.4 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.315 1.009 . . . . 0.0 109.219 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 22.1 Cg_endo -79.25 161.56 25.93 Favored 'Trans proline' 0 C--N 1.359 1.094 0 O-C-N 124.515 1.797 . . . . 0.0 110.56 179.427 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -48.09 158.63 0.23 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.73 1.269 . . . . 0.0 111.668 -179.763 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 70.55 8.78 63.72 Favored Glycine 0 CA--C 1.532 1.109 0 O-C-N 124.33 1.019 . . . . 0.0 112.079 -178.529 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.473 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 44.5 t -90.95 -40.31 0.39 Allowed Pre-proline 0 C--O 1.244 0.766 0 N-CA-C 116.848 2.166 . . . . 0.0 116.848 177.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.509 ' HG3' ' CE1' ' A' ' 55' ' ' PHE . 17.9 Cg_exo -46.85 160.31 0.26 Allowed 'Trans proline' 0 N--CA 1.45 -1.044 0 O-C-N 123.505 1.266 . . . . 0.0 113.678 -178.277 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.538 HG13 ' N ' ' A' ' 44' ' ' THR . 2.4 p -144.53 -153.68 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.542 0.645 0 CA-C-N 114.284 -1.326 . . . . 0.0 107.711 -179.06 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.538 ' N ' HG13 ' A' ' 43' ' ' VAL . 15.4 p -73.48 115.55 13.0 Favored 'General case' 0 C--O 1.235 0.336 0 O-C-N 126.135 2.147 . . . . 0.0 109.158 177.168 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.528 HD23 ' HE ' ' A' ' 53' ' ' ARG . 0.1 OUTLIER -103.97 90.6 3.66 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.009 0.818 . . . . 0.0 109.698 -178.69 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -67.6 -157.89 0.02 OUTLIER 'General case' 0 N--CA 1.448 -0.544 0 O-C-N 124.494 1.121 . . . . 0.0 110.776 -179.82 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.441 HD11 ' CE1' ' A' ' 49' ' ' TYR . 14.7 tp -83.15 84.23 7.55 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.032 -0.985 . . . . 0.0 109.768 -179.698 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.456 ' N ' ' OXT' ' A' ' 70' ' ' GLY . 5.9 mmp_? -124.3 88.85 2.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 109.596 179.686 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.441 ' CE1' HD11 ' A' ' 47' ' ' LEU . 69.9 m-85 -76.24 -20.68 57.19 Favored 'General case' 0 N--CA 1.45 -0.434 0 O-C-N 124.461 1.101 . . . . 0.0 112.945 -179.23 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -88.97 -11.6 43.9 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.458 1.099 . . . . 0.0 112.08 -179.656 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.419 ' HB3' ' HB3' ' A' ' 48' ' ' ARG . 11.7 ttm180 -122.6 123.68 41.74 Favored 'General case' 0 C--N 1.323 -0.575 0 O-C-N 124.138 0.899 . . . . 0.0 111.107 -178.56 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 1.091 ' CG2' HG22 ' A' ' 69' ' ' VAL . 65.7 t -117.3 154.35 19.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.274 0.983 . . . . 0.0 108.486 179.255 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.528 ' HE ' HD23 ' A' ' 45' ' ' LEU . 2.5 mtm-85 -122.01 149.85 42.91 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.488 1.118 . . . . 0.0 110.275 -179.237 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 77.0 t -142.11 149.25 19.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 O-C-N 124.459 1.1 . . . . 0.0 109.684 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.509 ' CE1' ' HG3' ' A' ' 42' ' ' PRO . 1.0 OUTLIER -118.63 134.38 55.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 110.902 -179.912 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 14.0 p90 -142.89 168.19 20.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.427 1.079 . . . . 0.0 110.468 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -85.0 132.39 45.85 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.434 1.084 . . . . 0.0 109.623 -179.649 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_endo -81.1 10.24 3.49 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.268 1.667 . . . . 0.0 112.403 179.58 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -95.76 -67.49 0.98 Allowed Glycine 0 CA--C 1.529 0.923 0 O-C-N 124.138 0.899 . . . . 0.0 111.649 -179.643 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 14.3 t -108.93 -0.21 19.79 Favored 'General case' 0 N--CA 1.45 -0.47 0 O-C-N 124.309 0.652 . . . . 0.0 112.726 -179.676 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 8.2 m-20 68.79 70.98 0.28 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.073 0.858 . . . . 0.0 109.21 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 12.1 t -143.47 134.18 22.2 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.363 0 O-C-N 124.57 1.169 . . . . 0.0 110.476 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 61.5 t -72.39 132.87 32.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 114.874 -1.057 . . . . 0.0 109.74 179.764 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 16.4 p30 -140.16 24.71 2.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.429 1.081 . . . . 0.0 109.826 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.433 ' HB2' ' HB2' ' A' ' 55' ' ' PHE . 78.5 m-70 -148.34 139.68 23.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.349 1.031 . . . . 0.0 109.527 179.779 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.544 HG13 ' HA ' ' A' ' 11' ' ' PRO . 10.8 t -66.55 114.74 18.74 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.494 1.121 . . . . 0.0 109.583 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -79.78 145.62 18.14 Favored 'Trans proline' 0 C--N 1.358 1.064 0 O-C-N 124.532 1.806 . . . . 0.0 110.865 179.54 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -140.17 163.3 33.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.314 1.008 . . . . 0.0 109.633 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 1.091 HG22 ' CG2' ' A' ' 52' ' ' VAL . 6.3 t -97.74 148.4 5.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 0.0 109.312 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.456 ' OXT' ' N ' ' A' ' 48' ' ' ARG . . . . . . . . 0 CA--C 1.53 1.001 0 O-C-N 124.482 1.114 . . . . 0.0 110.988 179.991 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 87.7 m . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 110.432 -0.211 . . . . 0.0 110.432 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -138.51 23.81 2.69 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.545 1.153 . . . . 0.0 110.348 179.93 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -119.06 -168.34 1.54 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.444 1.09 . . . . 0.0 110.874 179.928 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -75.72 -6.28 81.16 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.508 1.13 . . . . 0.0 113.142 179.91 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.7 t 66.41 160.68 0.14 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.226 0.604 . . . . 0.0 110.574 179.982 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 69.75 154.39 0.12 Allowed 'General case' 0 N--CA 1.452 -0.359 0 O-C-N 124.423 1.077 . . . . 0.0 110.289 -179.549 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.6 mp 52.82 42.98 32.02 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.422 1.076 . . . . 0.0 109.608 179.855 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.506 ' O ' HG23 ' A' ' 69' ' ' VAL . 1.4 mptp? -58.89 109.07 0.75 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.483 1.114 . . . . 0.0 109.491 -179.916 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 91.9 p -149.59 137.39 20.27 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 114.92 -1.036 . . . . 0.0 109.796 -179.648 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -124.57 97.67 38.92 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.555 1.16 . . . . 0.0 110.791 179.763 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -73.61 -6.17 18.28 Favored 'Trans proline' 0 C--N 1.365 1.421 0 O-C-N 124.159 1.61 . . . . 0.0 112.611 -179.767 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 23.0 tp10 -71.07 -20.12 62.39 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.105 0.878 . . . . 0.0 110.903 -179.98 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 3.3 t -91.59 45.28 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.314 1.009 . . . . 0.0 109.226 179.881 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 37.6 t -115.03 123.2 70.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.157 . . . . 0.0 109.177 179.854 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 113.87 -23.43 13.1 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.599 1.187 . . . . 0.0 110.988 -179.958 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.7 mttp -76.21 162.37 28.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 0.774 . . . . 0.0 108.982 -179.606 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -98.77 164.22 12.31 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.105 0.878 . . . . 0.0 109.895 179.962 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.448 HG13 ' CG ' ' A' ' 36' ' ' PHE . 40.2 t -45.12 -59.94 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.322 1.014 . . . . 0.0 112.719 -179.448 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -50.55 -40.19 51.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.011 0.82 . . . . 0.0 111.327 -179.122 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 13.8 mm-40 -63.69 -52.53 60.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.348 1.03 . . . . 0.0 110.084 -179.822 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.39 -0.86 13.56 Favored 'General case' 0 N--CA 1.452 -0.348 0 O-C-N 124.691 1.244 . . . . 0.0 113.108 -179.688 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.448 ' HD3' ' HA ' ' A' ' 22' ' ' ARG . 11.2 tpp85 -83.03 -46.68 12.56 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 124.456 1.098 . . . . 0.0 109.526 179.86 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -73.97 -23.94 59.55 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 114.444 -1.253 . . . . 0.0 110.566 179.951 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 39.4 t80 -69.84 -49.13 55.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.445 1.091 . . . . 0.0 112.202 -179.585 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.8 ' CG ' HG21 ' A' ' 34' ' ' VAL . 7.4 m-85 -70.89 -22.88 62.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 111.871 -179.414 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 45.5 m -74.55 -30.9 61.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.237 0.96 . . . . 0.0 111.46 -179.797 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 17.4 mt -88.86 -45.31 9.82 Favored 'General case' 0 N--CA 1.449 -0.491 0 N-CA-C 114.336 1.236 . . . . 0.0 114.336 -178.025 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 93.9 m-70 -82.8 -42.1 18.3 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.062 0.851 . . . . 0.0 112.877 -178.604 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 46.0 m-85 -119.62 75.66 18.79 Favored Pre-proline 0 C--N 1.323 -0.576 0 N-CA-C 114.068 1.136 . . . . 0.0 114.068 -178.925 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 22.3 Cg_endo -80.82 10.22 3.44 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.01 1.531 . . . . 0.0 112.916 179.976 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -124.54 19.36 8.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.431 1.082 . . . . 0.0 111.283 -179.713 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . 0.273 3.1 m-85 -129.58 134.85 47.95 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.16 -0.927 . . . . 0.0 110.043 -179.358 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.412 ' HB2' ' HG3' ' A' ' 51' ' ' ARG . 4.9 m-20 -89.53 97.61 11.29 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.422 1.076 . . . . 0.0 108.365 178.652 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.8 HG21 ' CG ' ' A' ' 25' ' ' PHE . 3.1 t -84.1 151.38 3.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.627 1.204 . . . . 0.0 109.324 -179.807 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.437 ' CE2' ' HD2' ' A' ' 51' ' ' ARG . 47.6 m-85 -144.61 131.53 20.3 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.585 1.178 . . . . 0.0 110.969 179.754 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.515 ' CD1' ' HB ' ' A' ' 54' ' ' VAL . 32.3 m-85 -113.38 106.33 14.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.374 1.046 . . . . 0.0 110.469 179.8 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.429 ' HB3' ' HD2' ' A' ' 38' ' ' PRO . 52.2 mt -130.94 164.22 43.54 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.284 0.99 . . . . 0.0 109.412 -179.518 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.429 ' HD2' ' HB3' ' A' ' 37' ' ' LEU . 3.4 Cg_endo -71.54 133.12 21.74 Favored 'Trans proline' 0 C--N 1.361 1.227 0 O-C-N 124.386 1.73 . . . . 0.0 110.745 179.584 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.99 -178.3 0.07 Allowed 'General case' 0 N--CA 1.449 -0.523 0 O-C-N 124.49 1.119 . . . . 0.0 110.901 -179.777 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.403 ' C ' ' HD3' ' A' ' 42' ' ' PRO . . . 111.02 -19.11 25.57 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.431 1.082 . . . . 0.0 112.054 179.539 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 66.0 p -105.74 64.66 0.15 Allowed Pre-proline 0 C--O 1.26 1.607 0 N-CA-C 117.48 2.4 . . . . 0.0 117.48 179.004 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.403 ' HD3' ' C ' ' A' ' 40' ' ' GLY . 30.1 Cg_endo -69.05 132.78 25.23 Favored 'Trans proline' 0 C--N 1.36 1.133 0 C-N-CA 121.025 1.15 . . . . 0.0 111.181 179.721 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.547 HG13 ' N ' ' A' ' 44' ' ' THR . 0.8 OUTLIER -148.98 -161.49 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.459 1.099 . . . . 0.0 108.99 179.809 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.547 ' N ' HG13 ' A' ' 43' ' ' VAL . 0.6 OUTLIER -94.43 79.54 3.89 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 114.313 -1.312 . . . . 0.0 109.07 177.733 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 64.7 mt -60.48 -23.6 64.61 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-N 113.764 -1.562 . . . . 0.0 114.526 -178.154 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -50.09 -20.65 1.03 Allowed 'General case' 0 N--CA 1.446 -0.641 0 O-C-N 123.677 0.611 . . . . 0.0 112.55 -179.654 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 20.7 tp -49.49 -59.59 3.61 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.137 0.898 . . . . 0.0 111.852 -179.09 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 1.099 ' HB2' ' OXT' ' A' ' 70' ' ' GLY . 0.6 OUTLIER -90.0 94.77 9.93 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.482 -0.781 . . . . 0.0 111.902 -179.368 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 62.6 m-85 -72.8 -30.44 64.07 Favored 'General case' 0 CA--C 1.535 0.402 0 O-C-N 124.488 1.118 . . . . 0.0 110.412 179.464 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -93.7 -9.17 38.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.683 1.24 . . . . 0.0 112.199 -179.132 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.75 HH21 ' HG3' ' A' ' 48' ' ' ARG . 1.7 ttp180 -108.8 128.87 55.27 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.086 0.866 . . . . 0.0 109.937 -179.323 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.588 ' HB ' HG22 ' A' ' 34' ' ' VAL . 5.6 t -99.57 137.68 26.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 124.414 1.071 . . . . 0.0 109.328 179.839 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.14 93.46 4.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.828 179.965 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 1.034 HG13 ' HB3' ' A' ' 67' ' ' PRO . 3.7 t -92.04 159.6 2.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.597 1.186 . . . . 0.0 109.143 179.727 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -125.99 146.29 49.94 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.455 1.097 . . . . 0.0 111.449 -179.869 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 19.5 p90 -144.55 166.65 24.55 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.484 1.115 . . . . 0.0 110.543 179.747 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -91.66 126.35 54.34 Favored Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 124.578 1.174 . . . . 0.0 109.421 -179.779 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_endo -73.85 1.71 6.76 Favored 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.412 1.743 . . . . 0.0 112.774 -179.757 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -99.79 -78.65 1.38 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.168 0.917 . . . . 0.0 111.628 -179.611 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.8 t -70.92 -16.38 62.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.399 0.705 . . . . 0.0 111.699 -179.864 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 68.9 43.74 1.15 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.303 1.002 . . . . 0.0 108.995 -179.663 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 22.6 t -133.95 149.57 30.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.597 1.185 . . . . 0.0 109.379 -179.824 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 42.8 t -79.25 130.18 36.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.39 1.056 . . . . 0.0 109.476 -179.983 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.438 ' ND2' ' CD2' ' A' ' 65' ' ' HIS . 0.9 OUTLIER -135.08 27.81 3.5 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.671 1.232 . . . . 0.0 109.218 179.948 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.438 ' CD2' ' ND2' ' A' ' 64' ' ' ASN . 98.3 m-70 -144.73 124.89 13.66 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.475 1.11 . . . . 0.0 109.654 179.905 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 38.6 t -55.87 112.01 3.81 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.566 1.166 . . . . 0.0 108.918 179.71 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 1.034 ' HB3' HG13 ' A' ' 54' ' ' VAL . 23.8 Cg_endo -73.44 140.35 30.03 Favored 'Trans proline' 0 C--N 1.361 1.223 0 O-C-N 124.572 1.827 . . . . 0.0 111.27 -179.375 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 3.3 p-80 -138.41 165.05 27.78 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 114.906 -1.043 . . . . 0.0 109.039 -179.929 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.506 HG23 ' O ' ' A' ' 8' ' ' LYS . 3.8 t -84.09 145.17 8.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 109.546 179.763 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 1.099 ' OXT' ' HB2' ' A' ' 48' ' ' ARG . . . . . . . . 0 CA--C 1.532 1.104 0 O-C-N 124.346 1.029 . . . . 0.0 110.845 -179.865 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 2.9 m . . . . . 0 N--CA 1.454 -0.243 0 N-CA-C 110.348 -0.242 . . . . 0.0 110.348 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -133.89 27.84 3.9 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.098 . . . . 0.0 110.287 179.993 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 39.8 m-85 -106.49 -168.81 1.47 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.568 1.168 . . . . 0.0 110.895 179.937 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 126.02 4.64 6.53 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.55 1.156 . . . . 0.0 112.922 -179.878 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.4 t 56.47 60.99 2.86 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.193 0.584 . . . . 0.0 109.894 179.989 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 65.6 mm-40 -104.85 73.09 1.05 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 110.185 179.917 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.7 mp -63.62 132.19 50.36 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.442 -179.91 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 12.7 mtpt -67.66 116.63 8.58 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.432 1.082 . . . . 0.0 109.476 -179.999 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.427 ' HB3' ' HB3' ' A' ' 68' ' ' HIS . 30.8 p -142.2 143.99 33.18 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.477 1.111 . . . . 0.0 109.919 179.93 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.406 ' O ' HG12 ' A' ' 13' ' ' VAL . 0.0 OUTLIER -126.8 97.78 32.32 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.903 -179.866 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_endo -77.18 -1.51 11.69 Favored 'Trans proline' 0 C--N 1.363 1.312 0 O-C-N 124.114 1.586 . . . . 0.0 113.092 -179.761 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.23 -25.81 60.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.291 0.995 . . . . 0.0 109.948 -179.441 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.406 HG12 ' O ' ' A' ' 10' ' ' PHE . 9.7 p -95.1 39.36 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.661 1.225 . . . . 0.0 109.987 -179.766 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.5 t -98.6 137.36 26.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.387 1.055 . . . . 0.0 109.138 179.819 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 90.58 -15.51 60.11 Favored Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.463 1.102 . . . . 0.0 112.059 -179.944 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.497 ' O ' HG13 ' A' ' 62' ' ' VAL . 6.9 mttt -72.16 -165.66 0.19 Allowed 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 -179.967 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.731 HG22 HG22 ' A' ' 62' ' ' VAL . 6.1 p -129.17 166.68 18.87 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.256 0.972 . . . . 0.0 110.264 -179.735 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.785 HG13 ' CE1' ' A' ' 36' ' ' PHE . 58.6 t -48.05 -58.48 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 111.761 -179.82 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -55.11 -36.11 65.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.215 0.947 . . . . 0.0 111.041 -179.082 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.66 -52.67 56.11 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.551 1.157 . . . . 0.0 109.352 -179.833 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.19 -0.37 14.08 Favored 'General case' 0 C--N 1.329 -0.303 0 O-C-N 124.592 1.182 . . . . 0.0 112.741 179.971 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 8.2 ttm180 -82.2 -46.12 14.17 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 124.468 1.105 . . . . 0.0 109.352 179.697 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -73.01 -27.59 61.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 114.722 -1.127 . . . . 0.0 110.169 179.749 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 22.8 t80 -64.13 -49.7 71.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.561 1.163 . . . . 0.0 111.433 -179.963 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.761 ' CD2' HG21 ' A' ' 34' ' ' VAL . 11.4 m-85 -67.52 -25.66 65.95 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.501 1.126 . . . . 0.0 111.233 -179.788 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 87.2 m -72.7 -30.51 64.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.153 0.908 . . . . 0.0 110.878 179.984 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 15.1 mt -87.97 -43.94 11.38 Favored 'General case' 0 N--CA 1.449 -0.493 0 N-CA-C 113.624 0.972 . . . . 0.0 113.624 -178.317 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 4.5 m80 -89.45 -48.23 7.47 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 113.748 1.018 . . . . 0.0 113.748 -176.849 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 42.3 m-85 -119.6 75.51 18.52 Favored Pre-proline 0 C--N 1.324 -0.511 0 N-CA-C 114.719 1.377 . . . . 0.0 114.719 -178.54 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 5.5 Cg_endo -72.61 0.83 7.0 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 123.82 1.432 . . . . 0.0 113.184 179.763 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 6.3 pm0 -117.5 21.57 12.95 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.267 0.979 . . . . 0.0 110.678 179.876 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . 0.255 1.1 m-30 -123.02 115.52 22.01 Favored 'General case' 0 N--CA 1.447 -0.575 0 CA-C-N 115.018 -0.992 . . . . 0.0 109.922 179.816 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 85.9 m-20 -86.92 104.41 16.22 Favored 'General case' 0 C--N 1.323 -0.578 0 O-C-N 124.407 1.067 . . . . 0.0 108.236 178.233 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.761 HG21 ' CD2' ' A' ' 25' ' ' PHE . 3.4 t -85.57 151.16 3.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.515 1.134 . . . . 0.0 110.589 -179.05 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 34.6 m-85 -136.62 119.76 16.61 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 114.85 -1.068 . . . . 0.0 110.434 179.537 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.785 ' CE1' HG13 ' A' ' 18' ' ' VAL . 55.5 m-85 -92.09 138.3 31.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.261 0.975 . . . . 0.0 111.543 -179.707 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.437 HD23 ' O ' ' A' ' 36' ' ' PHE . 0.8 OUTLIER -143.78 155.09 59.74 Favored Pre-proline 0 C--N 1.326 -0.427 0 O-C-N 124.354 1.034 . . . . 0.0 109.079 179.861 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -77.01 148.77 28.1 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.54 1.811 . . . . 0.0 110.963 -179.638 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.452 ' CG ' ' N ' ' A' ' 40' ' ' GLY . 66.7 tt0 -52.28 161.88 0.58 Allowed 'General case' 0 C--N 1.327 -0.393 0 O-C-N 124.453 1.096 . . . . 0.0 110.513 -179.905 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.452 ' N ' ' CG ' ' A' ' 39' ' ' GLU . . . 78.34 16.11 80.0 Favored Glycine 0 CA--C 1.528 0.865 0 O-C-N 124.47 1.106 . . . . 0.0 112.477 179.756 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.452 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 5.9 t -106.9 38.4 0.08 OUTLIER Pre-proline 0 C--O 1.249 1.078 0 N-CA-C 118.326 2.713 . . . . 0.0 118.326 179.281 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.452 ' CD ' ' N ' ' A' ' 41' ' ' SER . 19.7 Cg_endo -68.91 134.07 28.82 Favored 'Trans proline' 0 C--N 1.36 1.154 0 C-N-CA 121.459 1.439 . . . . 0.0 110.788 -179.645 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.55 HG13 ' N ' ' A' ' 44' ' ' THR . 1.0 OUTLIER -149.16 -159.4 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 114.961 -1.018 . . . . 0.0 108.954 -179.833 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.55 ' N ' HG13 ' A' ' 43' ' ' VAL . 2.0 p -80.04 99.16 7.54 Favored 'General case' 0 N--CA 1.452 -0.364 0 O-C-N 125.283 1.614 . . . . 0.0 109.885 178.331 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -87.09 81.77 7.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.173 0.92 . . . . 0.0 110.812 -178.931 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.898 ' O ' ' OXT' ' A' ' 70' ' ' GLY . 0.9 OUTLIER -55.69 168.82 0.38 Allowed 'General case' 0 N--CA 1.446 -0.64 0 O-C-N 124.256 0.972 . . . . 0.0 109.492 179.19 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 15.2 tp -82.83 77.76 9.52 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 115.225 -0.898 . . . . 0.0 113.396 -178.245 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.836 ' HG2' ' OXT' ' A' ' 70' ' ' GLY . 7.1 mmm180 -99.83 96.03 7.31 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.163 -0.926 . . . . 0.0 109.618 179.489 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 10.4 m-30 -68.16 -27.2 66.22 Favored 'General case' 0 CA--C 1.534 0.334 0 O-C-N 124.262 0.977 . . . . 0.0 111.404 -179.34 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -92.09 -9.15 43.69 Favored 'General case' 0 N--CA 1.449 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 112.152 -179.453 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.589 HH22 HH21 ' A' ' 48' ' ' ARG . 1.7 ttp180 -114.7 125.5 53.8 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 123.989 0.805 . . . . 0.0 110.915 -178.938 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.615 HG22 HG13 ' A' ' 69' ' ' VAL . 0.3 OUTLIER -120.3 117.42 53.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 O-C-N 124.368 1.043 . . . . 0.0 110.175 179.956 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 12.0 mtp85 -87.88 135.75 33.26 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 114.977 -1.01 . . . . 0.0 110.796 179.655 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.433 HG11 ' CE1' ' A' ' 36' ' ' PHE . 74.6 t -123.19 150.72 27.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.209 0.943 . . . . 0.0 109.605 -179.868 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 56.5 m-85 -125.15 139.18 53.99 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.458 1.099 . . . . 0.0 111.121 179.817 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 36.2 p90 -143.62 159.75 41.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 0.0 110.438 179.763 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -66.88 142.86 97.69 Favored Pre-proline 0 C--N 1.327 -0.378 0 O-C-N 124.563 1.164 . . . . 0.0 109.691 -179.274 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_endo -81.08 10.24 3.49 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.296 1.682 . . . . 0.0 112.535 -179.89 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -111.94 -85.54 1.52 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.246 0.966 . . . . 0.0 112.317 -179.55 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 10.2 t -77.21 -13.08 60.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.332 0.666 . . . . 0.0 112.211 -179.249 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 4.6 m120 70.47 73.62 0.21 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.418 1.074 . . . . 0.0 108.891 -179.554 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.731 HG22 HG22 ' A' ' 17' ' ' THR . 9.5 t -141.33 134.45 30.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.655 1.222 . . . . 0.0 110.13 -179.616 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 38.1 t -69.95 121.87 20.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.37 1.044 . . . . 0.0 109.032 179.333 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.403 ' ND2' ' CE1' ' A' ' 65' ' ' HIS . 1.5 p30 -135.35 27.54 3.43 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.604 1.19 . . . . 0.0 109.071 179.813 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.403 ' CE1' ' ND2' ' A' ' 64' ' ' ASN . 30.9 m80 -143.66 124.53 14.28 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 114.794 -1.094 . . . . 0.0 108.878 179.45 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 85.5 t -53.13 109.65 1.59 Allowed Pre-proline 0 C--N 1.323 -0.577 0 O-C-N 125.041 1.463 . . . . 0.0 109.327 -179.973 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 28.6 Cg_endo -77.44 145.49 23.76 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.473 1.775 . . . . 0.0 110.696 -179.628 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.482 ' N ' ' CD2' ' A' ' 68' ' ' HIS . 0.4 OUTLIER -148.94 163.19 38.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.373 1.046 . . . . 0.0 109.697 -179.636 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.615 HG13 HG22 ' A' ' 52' ' ' VAL . 1.7 t -85.4 141.37 14.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.606 1.191 . . . . 0.0 108.878 179.468 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.898 ' OXT' ' O ' ' A' ' 46' ' ' ASP . . . . . . . . 0 CA--C 1.531 1.036 0 O-C-N 124.287 0.992 . . . . 0.0 110.748 -179.883 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 CA-C-O 120.493 0.187 . . . . 0.0 110.567 . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -90.89 46.47 1.33 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.478 1.111 . . . . 0.0 110.317 179.957 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 52.53 20.58 1.52 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.102 . . . . 0.0 111.793 179.935 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -126.24 -7.95 5.19 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.35 1.031 . . . . 0.0 113.142 -179.963 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.2 t 53.98 -98.29 0.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.253 0.62 . . . . 0.0 111.004 179.684 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.494 ' HB3' HD22 ' A' ' 7' ' ' LEU . 0.8 OUTLIER -148.31 143.78 27.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.067 0.854 . . . . 0.0 110.093 179.854 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.522 ' N ' HD13 ' A' ' 7' ' ' LEU . 0.2 OUTLIER 69.56 106.33 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 109.175 -179.634 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 39.0 mttt -67.05 151.65 47.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.427 1.079 . . . . 0.0 109.435 -179.878 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 57.3 m -148.81 147.86 29.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.863 -179.881 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -136.27 76.67 49.89 Favored Pre-proline 0 C--N 1.326 -0.425 0 O-C-N 124.516 1.135 . . . . 0.0 111.126 179.886 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 10.4 Cg_endo -67.65 -17.62 48.0 Favored 'Trans proline' 0 C--N 1.365 1.414 0 O-C-N 124.038 1.546 . . . . 0.0 112.429 -179.13 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -78.15 5.85 9.27 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.16 0.913 . . . . 0.0 112.543 -179.344 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 11.0 t -103.16 38.49 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.004 0.815 . . . . 0.0 109.697 -179.748 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 53.6 t -102.24 134.65 42.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.426 1.079 . . . . 0.0 109.127 179.832 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 99.83 -25.55 27.84 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.461 1.101 . . . . 0.0 110.702 -179.758 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.417 ' HG2' ' HG3' ' A' ' 20' ' ' GLN . 3.3 mptt -72.05 164.55 25.95 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 179.773 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.52 HG23 ' HB2' ' A' ' 20' ' ' GLN . 0.5 OUTLIER -108.71 168.48 9.31 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.405 1.065 . . . . 0.0 110.018 -179.466 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.495 HG13 ' CE1' ' A' ' 36' ' ' PHE . 21.3 t -45.91 -59.8 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.519 0 O-C-N 124.014 0.821 . . . . 0.0 112.532 -179.502 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -56.44 -35.86 68.34 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.008 0.817 . . . . 0.0 110.534 -179.208 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.52 ' HB2' HG23 ' A' ' 17' ' ' THR . 0.0 OUTLIER -63.5 -52.4 61.43 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.284 0.99 . . . . 0.0 110.198 -179.832 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.91 -2.41 15.01 Favored 'General case' 0 N--CA 1.452 -0.351 0 O-C-N 124.589 1.181 . . . . 0.0 113.253 -179.634 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.3 tpm_? -82.91 -46.42 12.98 Favored 'General case' 0 C--N 1.321 -0.657 0 O-C-N 124.631 1.207 . . . . 0.0 109.627 179.752 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -69.86 -27.5 64.89 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 114.668 -1.151 . . . . 0.0 110.105 179.691 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.408 ' C ' ' CD1' ' A' ' 24' ' ' TYR . 7.7 t80 -65.07 -51.74 59.69 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.547 1.154 . . . . 0.0 111.004 179.993 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.418 ' CD2' HG21 ' A' ' 34' ' ' VAL . 13.9 m-85 -67.8 -36.59 80.7 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.647 1.217 . . . . 0.0 110.888 -179.938 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 18.4 m -57.01 -30.73 64.43 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.186 0.929 . . . . 0.0 110.977 179.856 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 26.4 mt -86.31 -49.14 7.89 Favored 'General case' 0 C--O 1.238 0.494 0 N-CA-C 114.713 1.375 . . . . 0.0 114.713 -177.798 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 4.9 m170 -92.4 -52.37 4.7 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 114.08 1.141 . . . . 0.0 114.08 -177.48 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.445 ' HB3' ' CD2' ' A' ' 32' ' ' TYR . 49.7 m-85 -118.31 53.15 1.68 Allowed Pre-proline 0 N--CA 1.45 -0.44 0 N-CA-C 114.82 1.415 . . . . 0.0 114.82 -178.187 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 20.0 Cg_endo -67.29 -8.02 20.76 Favored 'Trans proline' 0 C--N 1.358 1.078 0 O-C-N 123.913 1.48 . . . . 0.0 112.536 179.744 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.422 ' NE2' ' HA ' ' A' ' 29' ' ' TYR . 0.0 OUTLIER -96.28 26.32 4.37 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.167 0.917 . . . . 0.0 113.124 -179.03 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.445 ' CD2' ' HB3' ' A' ' 29' ' ' TYR . 0.4 OUTLIER -124.32 142.63 51.11 Favored 'General case' 0 CA--C 1.545 0.769 0 O-C-N 124.036 0.835 . . . . 0.0 108.948 179.597 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -86.4 97.43 10.45 Favored 'General case' 0 C--N 1.323 -0.578 0 O-C-N 124.922 1.389 . . . . 0.0 108.015 177.941 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.418 HG21 ' CD2' ' A' ' 25' ' ' PHE . 2.2 t -85.31 141.92 13.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.695 1.247 . . . . 0.0 111.204 -178.938 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.509 ' CE2' ' HD3' ' A' ' 51' ' ' ARG . 2.3 m-30 -117.16 154.02 31.81 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 114.936 -1.029 . . . . 0.0 110.431 179.156 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.495 ' CE1' HG13 ' A' ' 18' ' ' VAL . 4.5 m-85 -135.06 106.11 6.65 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.709 1.256 . . . . 0.0 110.759 179.717 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.577 HD13 ' HG3' ' A' ' 42' ' ' PRO . 0.0 OUTLIER -146.0 179.77 1.1 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.36 1.038 . . . . 0.0 109.081 -179.898 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.486 ' CD ' ' CB ' ' A' ' 37' ' ' LEU . 9.4 Cg_endo -72.81 162.88 39.98 Favored 'Trans proline' 0 C--N 1.359 1.082 0 O-C-N 124.555 1.818 . . . . 0.0 110.75 179.529 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.522 ' HB3' ' CD2' ' A' ' 65' ' ' HIS . 0.0 OUTLIER -79.85 136.13 36.62 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 114.909 -1.041 . . . . 0.0 112.482 -179.192 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 78.3 13.85 82.84 Favored Glycine 0 CA--C 1.529 0.93 0 CA-C-N 115.068 -0.969 . . . . 0.0 112.968 179.086 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.476 ' HB3' ' HD3' ' A' ' 42' ' ' PRO . 1.4 t -87.36 -54.63 0.37 Allowed Pre-proline 0 N--CA 1.452 -0.36 0 O-C-N 124.574 0.808 . . . . 0.0 110.865 177.948 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.577 ' HG3' HD13 ' A' ' 37' ' ' LEU . 52.3 Cg_endo -87.65 164.18 7.81 Favored 'Trans proline' 0 C--N 1.358 1.026 0 O-C-N 123.909 1.478 . . . . 0.0 111.547 -179.366 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.542 HG13 ' N ' ' A' ' 44' ' ' THR . 0.9 OUTLIER -143.13 -161.73 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 178.88 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.542 ' N ' HG13 ' A' ' 43' ' ' VAL . 0.6 OUTLIER -93.94 82.91 4.27 Favored 'General case' 0 CA--C 1.54 0.583 0 O-C-N 125.018 1.449 . . . . 0.0 109.461 177.685 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 15.2 mt -69.72 -70.87 0.26 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 113.664 -1.607 . . . . 0.0 108.696 179.95 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -116.91 -1.68 11.94 Favored 'General case' 0 N--CA 1.446 -0.641 0 CA-C-N 114.831 -1.077 . . . . 0.0 111.811 -179.484 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.52 ' C ' HD22 ' A' ' 47' ' ' LEU . 0.3 OUTLIER 65.12 97.81 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.947 0.88 . . . . 0.0 109.313 -179.799 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.607 ' CG ' HH11 ' A' ' 48' ' ' ARG . 3.5 mmt-85 -91.68 136.16 33.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 114.427 -1.26 . . . . 0.0 110.447 -179.593 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 57.2 m-85 -93.23 -44.94 8.08 Favored 'General case' 0 CA--C 1.538 0.512 0 N-CA-C 114.123 1.157 . . . . 0.0 114.123 -179.018 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 46.6 p-10 -93.45 -9.43 38.55 Favored 'General case' 0 C--N 1.323 -0.565 0 O-C-N 124.701 1.251 . . . . 0.0 112.422 -178.423 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.509 ' HD3' ' CE2' ' A' ' 35' ' ' TYR . 12.3 ttm180 -94.36 122.35 36.83 Favored 'General case' 0 C--N 1.323 -0.584 0 O-C-N 124.024 0.827 . . . . 0.0 110.318 -179.278 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.588 HG22 HG22 ' A' ' 69' ' ' VAL . 48.5 t -104.19 119.8 53.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 O-C-N 124.335 1.022 . . . . 0.0 110.088 -179.94 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.749 ' NH2' ' OXT' ' A' ' 70' ' ' GLY . 25.8 mtm-85 -88.72 120.62 30.28 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.121 -0.945 . . . . 0.0 111.197 179.807 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 10.8 t -113.1 144.99 19.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.267 0.98 . . . . 0.0 109.182 179.959 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.433 ' HB2' ' HB2' ' A' ' 65' ' ' HIS . 21.0 m-85 -123.68 140.86 52.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.552 1.157 . . . . 0.0 111.242 -179.819 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 11.3 p90 -146.48 169.56 18.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 110.405 -179.962 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.414 ' ND2' ' HD2' ' A' ' 58' ' ' PRO . 7.0 t-20 -94.14 137.77 22.79 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.212 0.945 . . . . 0.0 110.239 -179.34 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.414 ' HD2' ' ND2' ' A' ' 57' ' ' ASN . 26.5 Cg_endo -79.1 -17.21 11.99 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.307 1.688 . . . . 0.0 111.71 179.511 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -51.53 -28.09 20.24 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.356 1.035 . . . . 0.0 110.877 179.97 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.485 HG23 ' H ' ' A' ' 61' ' ' ASN . 0.0 OUTLIER -160.58 -72.12 0.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.424 0.72 . . . . 0.0 110.362 179.601 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.485 ' H ' HG23 ' A' ' 60' ' ' THR . 4.8 m-20 159.16 82.76 0.0 OUTLIER 'General case' 0 CA--C 1.543 0.698 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 178.219 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 40.3 t -142.41 158.67 19.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 O-C-N 124.582 1.176 . . . . 0.0 109.391 -179.686 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 55.9 t -101.5 117.86 47.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.365 1.041 . . . . 0.0 108.976 179.686 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -128.26 27.58 5.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.816 1.322 . . . . 0.0 109.427 -179.819 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.522 ' CD2' ' HB3' ' A' ' 39' ' ' GLU . 93.0 m-70 -148.51 125.2 11.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.412 179.793 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 78.3 t -53.29 109.67 1.61 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.621 1.2 . . . . 0.0 109.444 -179.993 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_endo -80.76 115.95 3.13 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.508 1.794 . . . . 0.0 110.748 179.669 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 7.2 p-80 -130.15 162.62 28.44 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.277 0.986 . . . . 0.0 110.168 -179.901 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.588 HG22 HG22 ' A' ' 52' ' ' VAL . 37.1 t -92.17 159.4 2.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 O-C-N 124.441 1.088 . . . . 0.0 109.138 179.892 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.749 ' OXT' ' NH2' ' A' ' 53' ' ' ARG . . . . . . . . 0 CA--C 1.53 1.007 0 O-C-N 124.504 1.128 . . . . 0.0 110.936 -179.889 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . 0.505 ' HA ' ' CE2' ' A' ' 3' ' ' PHE . 14.2 p . . . . . 0 N--CA 1.451 -0.39 0 N-CA-C 112.292 0.478 . . . . 0.0 112.292 . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -102.23 56.88 0.8 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.186 0.929 . . . . 0.0 110.247 179.975 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.505 ' CE2' ' HA ' ' A' ' 1' ' ' THR . 44.2 m-85 -94.6 61.23 2.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 110.996 -179.902 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -140.52 10.49 2.94 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.406 1.067 . . . . 0.0 112.699 -179.768 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.7 t -48.93 -75.94 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.23 0.606 . . . . 0.0 112.122 -179.116 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -134.78 143.27 47.01 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.431 1.082 . . . . 0.0 111.298 -179.443 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 80.8 mt -149.75 173.67 13.46 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 114.884 -1.053 . . . . 0.0 109.572 179.913 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.3 mttt -71.55 122.33 20.3 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 114.994 -1.003 . . . . 0.0 109.503 -179.826 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.423 ' C ' ' CD1' ' A' ' 10' ' ' PHE . 0.3 OUTLIER -149.27 146.53 27.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.386 1.054 . . . . 0.0 109.805 -179.913 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.423 ' CD1' ' C ' ' A' ' 9' ' ' SER . 0.5 OUTLIER -129.73 76.25 78.66 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.6 1.188 . . . . 0.0 111.456 179.986 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.408 ' HA ' HG13 ' A' ' 66' ' ' VAL . 11.8 Cg_endo -67.29 -44.04 5.34 Favored 'Trans proline' 0 C--N 1.367 1.511 0 O-C-N 123.701 1.369 . . . . 0.0 113.566 -178.822 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.33 -15.37 47.77 Favored 'General case' 0 N--CA 1.448 -0.544 0 O-C-N 124.33 1.019 . . . . 0.0 110.778 -179.759 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.544 HG13 ' HE3' ' A' ' 16' ' ' LYS . 17.3 t -90.88 45.96 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.377 1.048 . . . . 0.0 110.018 -179.552 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.764 HG21 HG22 ' A' ' 66' ' ' VAL . 99.0 t -127.9 145.85 34.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.352 1.033 . . . . 0.0 108.87 179.576 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 99.34 -21.54 45.03 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.402 1.064 . . . . 0.0 110.901 -179.485 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.544 ' HE3' HG13 ' A' ' 13' ' ' VAL . 2.9 mttt -73.01 -157.79 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.251 -1.018 . . . . 0.0 108.251 179.71 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -131.42 161.05 33.36 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.434 1.084 . . . . 0.0 110.172 179.712 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.616 HG22 ' CD1' ' A' ' 36' ' ' PHE . 44.1 t -47.61 -48.87 10.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.547 1.154 . . . . 0.0 112.369 -179.388 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -54.95 -42.09 71.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.064 0.852 . . . . 0.0 112.669 -178.593 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 20.6 mm-40 -62.16 -55.04 32.63 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.321 1.013 . . . . 0.0 109.799 -179.769 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.43 -0.34 12.28 Favored 'General case' 0 C--N 1.327 -0.374 0 O-C-N 124.783 1.302 . . . . 0.0 113.282 -179.344 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.443 ' HD3' ' HA ' ' A' ' 22' ' ' ARG . 19.9 tpp85 -82.4 -46.66 13.23 Favored 'General case' 0 C--N 1.322 -0.592 0 O-C-N 124.522 1.139 . . . . 0.0 109.608 -179.981 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -75.38 -25.39 57.62 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 114.688 -1.142 . . . . 0.0 110.733 -179.89 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 59.0 t80 -75.45 -49.29 19.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.404 1.065 . . . . 0.0 112.721 -179.259 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 11.2 m-30 -71.85 -21.33 61.69 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.345 1.028 . . . . 0.0 111.633 -179.432 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 4.3 m -78.74 -34.89 45.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.366 1.041 . . . . 0.0 112.428 -179.288 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.406 HD23 ' HA ' ' A' ' 27' ' ' LEU . 17.2 mt -89.81 -46.99 8.19 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 113.637 0.977 . . . . 0.0 113.637 -178.26 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.516 ' HB2' ' CD1' ' A' ' 29' ' ' TYR . 16.9 m80 -86.67 -33.7 19.99 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.134 0.896 . . . . 0.0 113.009 -177.887 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.516 ' CD1' ' HB2' ' A' ' 28' ' ' HIS . 11.9 m-85 -119.27 52.48 1.91 Allowed Pre-proline 0 C--N 1.323 -0.548 0 N-CA-C 113.709 1.003 . . . . 0.0 113.709 -178.865 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.412 ' CD ' ' N ' ' A' ' 29' ' ' TYR . 19.7 Cg_endo -65.92 -21.17 57.53 Favored 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 123.997 1.525 . . . . 0.0 114.003 -178.997 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 8.4 pm0 -89.98 15.2 10.45 Favored 'General case' 0 N--CA 1.451 -0.416 0 O-C-N 124.021 0.825 . . . . 0.0 112.67 -178.838 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.504 ' CE2' HG21 ' A' ' 69' ' ' VAL 0.256 1.1 m-30 -123.12 132.67 54.17 Favored 'General case' 0 C--N 1.322 -0.599 0 O-C-N 124.223 0.952 . . . . 0.0 109.747 179.682 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 -88.38 96.06 10.44 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.456 1.098 . . . . 0.0 108.369 178.466 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.567 HG22 ' HB ' ' A' ' 52' ' ' VAL . 2.7 t -85.84 149.35 4.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.604 1.19 . . . . 0.0 110.504 -179.303 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.514 ' CE2' ' HD3' ' A' ' 51' ' ' ARG . 4.4 m-30 -134.34 156.96 47.56 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 115.009 -0.996 . . . . 0.0 109.991 179.181 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.616 ' CD1' HG22 ' A' ' 18' ' ' VAL . 34.3 m-85 -136.71 99.77 4.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.913 1.383 . . . . 0.0 110.706 179.794 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.426 ' HB3' ' HD2' ' A' ' 38' ' ' PRO . 0.3 OUTLIER -123.51 168.61 12.0 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 109.089 -179.911 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.426 ' HD2' ' HB3' ' A' ' 37' ' ' LEU . 22.9 Cg_endo -77.74 147.37 24.6 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.458 1.767 . . . . 0.0 111.566 -179.493 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.63 -174.51 0.05 OUTLIER 'General case' 0 N--CA 1.447 -0.582 0 O-C-N 124.429 1.081 . . . . 0.0 110.658 179.73 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 87.6 18.18 57.18 Favored Glycine 0 CA--C 1.528 0.86 0 O-C-N 124.568 1.168 . . . . 0.0 114.9 178.696 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.452 ' HB2' ' HD2' ' A' ' 42' ' ' PRO . 0.5 OUTLIER -87.5 162.72 41.6 Favored Pre-proline 0 C--N 1.33 -0.278 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 177.889 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.452 ' HD2' ' HB2' ' A' ' 41' ' ' SER . 9.7 Cg_endo -55.19 -89.41 0.0 OUTLIER 'Trans proline' 0 C--N 1.358 1.06 0 O-C-N 124.362 1.717 . . . . 0.0 112.387 -179.373 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.555 HG12 ' HG ' ' A' ' 45' ' ' LEU . 0.5 OUTLIER -139.67 -157.99 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.521 0 O-C-N 124.155 0.909 . . . . 0.0 110.328 -179.482 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.541 ' N ' HG13 ' A' ' 43' ' ' VAL . 22.7 p -95.76 41.53 1.1 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 113.981 -1.463 . . . . 0.0 109.406 179.736 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.555 ' HG ' HG12 ' A' ' 43' ' ' VAL . 31.4 mt -47.01 -32.2 3.77 Favored 'General case' 0 N--CA 1.45 -0.471 0 O-C-N 125.181 1.551 . . . . 0.0 111.466 -179.728 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.485 ' HB2' ' CD ' ' A' ' 48' ' ' ARG . 0.6 OUTLIER -71.79 141.66 49.69 Favored 'General case' 0 N--CA 1.447 -0.609 0 O-C-N 124.461 1.1 . . . . 0.0 109.957 -179.965 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.439 HD11 ' CE2' ' A' ' 49' ' ' TYR . 9.0 tp -121.56 51.01 1.34 Allowed 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.346 1.029 . . . . 0.0 110.179 -179.639 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.485 ' CD ' ' HB2' ' A' ' 46' ' ' ASP . 2.6 mpt_? -99.96 105.1 16.76 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 114.97 -1.014 . . . . 0.0 109.654 179.549 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.439 ' CE2' HD11 ' A' ' 47' ' ' LEU . 81.2 m-85 -74.87 -31.6 61.66 Favored 'General case' 0 N--CA 1.452 -0.336 0 O-C-N 124.126 0.891 . . . . 0.0 113.359 -178.55 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.4 p-10 -89.18 -9.71 49.85 Favored 'General case' 0 C--N 1.323 -0.56 0 O-C-N 124.572 1.17 . . . . 0.0 111.909 179.676 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.514 ' HD3' ' CE2' ' A' ' 35' ' ' TYR . 6.5 ttm180 -110.32 125.41 53.14 Favored 'General case' 0 C--N 1.321 -0.634 0 O-C-N 124.058 0.849 . . . . 0.0 109.84 -179.276 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 1.002 HG22 HG22 ' A' ' 69' ' ' VAL . 40.1 t -101.32 143.93 13.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.473 1.108 . . . . 0.0 109.544 179.95 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 3.2 mtt180 -118.18 97.04 5.59 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.386 1.054 . . . . 0.0 109.677 179.696 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.466 HG13 ' HB3' ' A' ' 67' ' ' PRO . 15.8 t -91.72 140.59 15.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.753 1.283 . . . . 0.0 109.358 -179.864 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.409 ' HB2' ' HB2' ' A' ' 65' ' ' HIS . 21.6 m-30 -117.86 139.04 51.66 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.604 1.19 . . . . 0.0 110.763 179.745 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 18.6 p90 -148.33 166.07 29.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 110.642 -179.769 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.404 ' HA ' ' HD3' ' A' ' 58' ' ' PRO . 3.9 t-20 -101.92 126.5 33.63 Favored Pre-proline 0 C--N 1.324 -0.503 0 CA-C-N 114.91 -1.041 . . . . 0.0 108.758 179.891 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 57' ' ' ASN . 4.1 Cg_exo -65.11 -15.6 51.1 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.563 1.823 . . . . 0.0 111.865 -179.596 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -51.36 -56.91 12.95 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.285 0.991 . . . . 0.0 111.624 -179.786 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.403 HG23 ' CG2' ' A' ' 62' ' ' VAL . 9.3 t -134.27 25.45 3.84 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.533 0.784 . . . . 0.0 110.245 -179.694 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 46.58 43.35 12.35 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 115.375 -0.83 . . . . 0.0 111.27 179.633 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.403 ' CG2' HG23 ' A' ' 60' ' ' THR . 7.1 t -110.53 143.67 20.06 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.356 0 CA-C-N 114.802 -1.09 . . . . 0.0 110.523 179.965 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 94.2 t -85.38 142.63 12.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 114.748 -1.114 . . . . 0.0 109.638 179.935 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -143.57 25.36 1.67 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.134 . . . . 0.0 110.042 -179.984 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.409 ' HB2' ' HB2' ' A' ' 55' ' ' PHE . 97.8 m-70 -148.31 124.58 10.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.371 1.044 . . . . 0.0 109.506 179.755 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.764 HG22 HG21 ' A' ' 14' ' ' VAL . 60.3 t -56.46 110.72 2.55 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.514 1.134 . . . . 0.0 109.912 -179.928 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.466 ' HB3' HG13 ' A' ' 54' ' ' VAL . 41.1 Cg_endo -82.47 86.28 1.53 Allowed 'Trans proline' 0 C--N 1.358 1.069 0 O-C-N 124.455 1.766 . . . . 0.0 110.681 179.439 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -90.23 162.26 15.31 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.305 1.003 . . . . 0.0 109.973 -179.838 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 1.002 HG22 HG22 ' A' ' 52' ' ' VAL . 1.5 t -97.79 148.68 5.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.518 1.136 . . . . 0.0 109.384 179.957 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.062 0 O-C-N 124.445 1.091 . . . . 0.0 110.981 179.905 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 8.1 m . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 110.356 -0.239 . . . . 0.0 110.356 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -145.97 30.66 1.06 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 110.252 -179.968 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 32.5 m-85 -102.59 -39.1 7.23 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.447 1.092 . . . . 0.0 110.942 179.976 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 117.4 -4.3 17.81 Favored Glycine 0 CA--C 1.528 0.875 0 O-C-N 124.468 1.105 . . . . 0.0 112.844 179.982 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.7 t 54.77 81.08 0.11 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.115 0.538 . . . . 0.0 110.117 -179.985 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -144.64 90.62 2.09 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 110.19 -179.966 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 48.4 mt -107.05 144.41 33.75 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.494 1.121 . . . . 0.0 109.656 -179.963 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 13.8 mttt -70.33 135.46 48.87 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.373 1.046 . . . . 0.0 109.251 179.845 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 94.9 p -148.76 141.79 24.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 110.363 -179.796 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -123.0 99.74 40.76 Favored Pre-proline 0 C--N 1.327 -0.411 0 O-C-N 124.382 1.052 . . . . 0.0 110.934 179.636 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_endo -76.97 1.22 8.88 Favored 'Trans proline' 0 C--N 1.364 1.358 0 O-C-N 124.143 1.602 . . . . 0.0 112.863 -179.599 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -71.2 -22.08 62.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.094 0.871 . . . . 0.0 110.926 -179.749 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.441 HG21 ' HB2' ' A' ' 21' ' ' ALA . 10.8 p -106.64 42.79 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.441 1.088 . . . . 0.0 110.052 -179.666 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.459 HG21 HG22 ' A' ' 66' ' ' VAL . 5.0 t -106.03 113.16 42.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 109.101 179.603 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 116.4 -19.2 13.14 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.467 1.104 . . . . 0.0 111.151 -179.393 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.467 ' O ' HG13 ' A' ' 62' ' ' VAL . 0.7 OUTLIER -73.68 -158.83 0.06 Allowed 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 179.903 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -131.62 165.95 22.52 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.458 1.099 . . . . 0.0 109.775 179.945 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.432 HG22 ' CD1' ' A' ' 36' ' ' PHE . 35.8 t -47.48 -48.29 10.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 123.974 0.796 . . . . 0.0 112.522 -179.443 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -54.44 -41.72 69.73 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 113.015 0.746 . . . . 0.0 113.015 -178.444 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 26.3 mm-40 -63.74 -51.32 65.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.152 0.908 . . . . 0.0 110.346 -179.44 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.441 ' HB2' HG21 ' A' ' 13' ' ' VAL . . . -68.67 -4.36 15.35 Favored 'General case' 0 N--CA 1.453 -0.306 0 O-C-N 124.685 1.24 . . . . 0.0 113.302 -179.34 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.425 HH11 ' HD2' ' A' ' 22' ' ' ARG . 5.6 tpp85 -83.1 -46.49 12.72 Favored 'General case' 0 C--N 1.321 -0.631 0 O-C-N 124.782 1.301 . . . . 0.0 109.426 179.82 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -75.08 -30.81 61.04 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 114.811 -1.086 . . . . 0.0 111.228 -179.73 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 18.0 t80 -67.94 -48.72 65.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.313 1.008 . . . . 0.0 111.977 -179.545 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 18.4 m-85 -73.04 -18.3 61.34 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.564 1.165 . . . . 0.0 111.641 -179.596 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.4 m -74.23 -34.48 63.68 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.211 0.945 . . . . 0.0 110.995 179.809 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 16.5 mt -86.9 -44.93 11.29 Favored 'General case' 0 N--CA 1.448 -0.535 0 N-CA-C 114.516 1.302 . . . . 0.0 114.516 -178.051 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 6.1 m170 -80.93 -42.39 21.41 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.083 0.864 . . . . 0.0 112.329 -178.722 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 47.4 m-85 -120.45 75.29 24.6 Favored Pre-proline 0 C--N 1.323 -0.561 0 N-CA-C 114.278 1.214 . . . . 0.0 114.278 -178.883 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_endo -81.4 11.29 3.11 Favored 'Trans proline' 0 C--N 1.358 1.064 0 O-C-N 123.792 1.417 . . . . 0.0 112.734 179.561 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -127.85 22.49 6.28 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.311 1.007 . . . . 0.0 110.692 -179.552 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.411 ' CD1' HG23 ' A' ' 52' ' ' VAL 0.253 4.0 m-85 -125.25 128.73 48.75 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.036 -0.984 . . . . 0.0 110.56 -179.392 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -90.4 98.94 12.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.296 0.997 . . . . 0.0 108.358 178.533 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 4.2 t -85.02 151.1 3.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 O-C-N 124.539 1.15 . . . . 0.0 111.196 -179.084 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -131.0 147.74 52.67 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 114.896 -1.047 . . . . 0.0 110.726 179.352 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.432 ' CD1' HG22 ' A' ' 18' ' ' VAL . 16.2 m-85 -129.2 121.58 27.96 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.588 1.18 . . . . 0.0 110.927 -179.957 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -146.05 170.51 7.81 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.264 0.977 . . . . 0.0 109.076 179.916 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 20.3 Cg_endo -75.89 131.48 13.33 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.534 1.808 . . . . 0.0 110.804 179.834 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.481 ' CB ' ' CD2' ' A' ' 65' ' ' HIS . 2.7 pp20? -61.71 155.73 21.99 Favored 'General case' 0 N--CA 1.449 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 111.33 -179.806 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 104.4 -17.44 47.06 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.395 1.059 . . . . 0.0 112.459 179.593 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 17.2 p -103.53 102.14 27.96 Favored Pre-proline 0 C--O 1.253 1.286 0 CA-C-O 118.065 -0.969 . . . . 0.0 111.604 178.688 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -79.64 172.59 14.11 Favored 'Trans proline' 0 C--N 1.357 1.003 0 O-C-N 123.458 1.241 . . . . 0.0 110.654 179.223 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.552 HG13 ' N ' ' A' ' 44' ' ' THR . 0.9 OUTLIER -149.18 -159.73 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.23 0.956 . . . . 0.0 109.088 -179.995 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.552 ' N ' HG13 ' A' ' 43' ' ' VAL . 0.6 OUTLIER -92.44 92.41 8.08 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 114.216 -1.356 . . . . 0.0 109.28 177.874 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.452 ' HA ' ' NH2' ' A' ' 48' ' ' ARG . 2.5 mt -93.12 64.66 3.86 Favored 'General case' 0 N--CA 1.45 -0.451 0 O-C-N 124.585 1.178 . . . . 0.0 110.878 -178.952 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.519 ' C ' HH12 ' A' ' 48' ' ' ARG . 0.9 OUTLIER -67.93 -99.85 0.0 OUTLIER 'General case' 0 N--CA 1.446 -0.646 0 O-C-N 124.457 1.098 . . . . 0.0 109.883 179.666 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.711 HD11 ' CE2' ' A' ' 49' ' ' TYR . 2.4 tm? -138.43 105.13 5.34 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 123.763 0.664 . . . . 0.0 110.379 -179.672 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 1.022 ' NH2' ' OXT' ' A' ' 70' ' ' GLY . 0.1 OUTLIER -130.89 89.99 2.83 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.333 1.02 . . . . 0.0 110.378 179.98 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.711 ' CE2' HD11 ' A' ' 47' ' ' LEU . 15.1 m-30 -76.37 -26.72 55.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.135 . . . . 0.0 110.619 179.847 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -92.0 -26.73 18.23 Favored 'General case' 0 C--O 1.238 0.454 0 O-C-N 124.605 1.191 . . . . 0.0 113.864 -178.54 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.42 ' HB3' ' HB3' ' A' ' 48' ' ' ARG . 7.1 ttm180 -101.51 130.53 47.79 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 123.801 0.688 . . . . 0.0 110.809 -179.246 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 1.04 ' CG2' HG22 ' A' ' 69' ' ' VAL . 37.7 t -116.55 146.77 20.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.562 1.164 . . . . 0.0 108.906 179.443 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.411 ' NH1' ' HD3' ' A' ' 51' ' ' ARG . 3.0 mtt85 -117.23 138.96 51.37 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.63 1.206 . . . . 0.0 110.018 -179.975 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.467 HG13 ' HB3' ' A' ' 67' ' ' PRO . 40.9 t -128.37 151.32 35.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.617 1.198 . . . . 0.0 109.12 -179.896 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.443 ' O ' HG13 ' A' ' 63' ' ' VAL . 20.4 m-85 -123.89 138.36 54.5 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.638 1.211 . . . . 0.0 110.869 179.763 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 3.2 p90 -143.4 164.23 30.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.619 1.199 . . . . 0.0 110.876 179.64 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -86.82 112.78 49.51 Favored Pre-proline 0 C--N 1.323 -0.55 0 N-CA-C 107.808 -1.182 . . . . 0.0 107.808 179.287 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 8.5 Cg_endo -54.16 -15.1 7.32 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.342 1.706 . . . . 0.0 113.652 -178.763 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -75.68 -71.12 1.19 Allowed Glycine 0 CA--C 1.527 0.806 0 N-CA-C 115.948 1.139 . . . . 0.0 115.948 -178.549 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.418 HG23 ' CG2' ' A' ' 62' ' ' VAL . 13.9 t -101.04 16.53 25.07 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 112.224 0.453 . . . . 0.0 112.224 -178.66 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 50.88 46.37 26.26 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 115.421 -0.809 . . . . 0.0 111.399 178.815 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.467 HG13 ' O ' ' A' ' 16' ' ' LYS . 40.2 t -118.34 134.84 60.67 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.459 0 O-C-N 124.281 0.988 . . . . 0.0 112.043 -179.982 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.443 HG13 ' O ' ' A' ' 55' ' ' PHE . 9.4 t -75.9 113.13 14.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 114.726 -1.125 . . . . 0.0 109.053 179.087 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 20.8 p30 -106.22 -18.18 14.08 Favored 'General case' 0 N--CA 1.449 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 111.682 -179.324 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.481 ' CD2' ' CB ' ' A' ' 39' ' ' GLU . 3.9 m-70 -110.44 147.48 33.96 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.131 0.894 . . . . 0.0 110.753 -179.67 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.459 HG22 HG21 ' A' ' 14' ' ' VAL . 3.4 t -73.2 117.31 59.09 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.361 1.038 . . . . 0.0 109.069 179.72 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.467 ' HB3' HG13 ' A' ' 54' ' ' VAL . 21.8 Cg_endo -69.8 151.73 68.92 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.536 1.808 . . . . 0.0 110.788 -179.724 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.447 ' O ' HG13 ' A' ' 52' ' ' VAL . 1.7 p-80 -144.03 163.31 33.87 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.614 1.196 . . . . 0.0 109.753 -179.819 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 1.04 HG22 ' CG2' ' A' ' 52' ' ' VAL . 17.5 t -85.51 126.97 40.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.569 1.168 . . . . 0.0 108.967 179.423 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 1.022 ' OXT' ' NH2' ' A' ' 48' ' ' ARG . . . . . . . . 0 CA--C 1.53 1.025 0 N-CA-C 110.716 -0.954 . . . . 0.0 110.716 -179.867 . . . . . . . . 1 1 . 1 stop_ save_