data_6o22_residue ############################ # Computer software used # ############################ 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 6o22 _Structure_validation_residue.Date_analyzed 2019-07-26 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 full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 3.0 mmm . . . . . 0 CA--C 1.494 -1.18 0 N-CA-C 107.411 -1.329 . . . . 0.0 107.411 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.8 m 49.14 12.45 0.05 Allowed 'General case' 0 CA--C 1.605 3.082 0 N-CA-C 116.556 2.058 . . . . 0.0 116.556 -172.426 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 11.4 p-10 -94.71 -19.24 20.57 Favored 'General case' 0 N--CA 1.391 -3.401 0 O-C-N 125.493 1.746 . . . . 0.0 109.601 176.674 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 46.8 tt0 -149.33 133.46 17.25 Favored 'General case' 0 C--O 1.198 -1.606 0 CA-C-N 122.779 2.536 . . . . 0.0 110.392 -161.043 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 28.4 mm-40 -89.35 157.61 18.11 Favored 'General case' 0 N--CA 1.524 3.273 0 CA-C-N 110.497 -3.047 . . . . 0.0 111.381 169.663 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 69.1 m-80 -138.77 79.59 1.74 Allowed 'General case' 0 C--N 1.363 1.174 0 N-CA-C 104.586 -2.375 . . . . 0.0 104.586 179.198 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 61.6 mm-40 -113.73 -18.58 11.82 Favored 'General case' 0 N--CA 1.528 3.47 0 C-N-CA 126.24 1.816 . . . . 0.0 113.993 -171.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -74.42 162.86 28.43 Favored 'General case' 0 C--O 1.263 1.776 0 O-C-N 124.803 1.314 . . . . 0.0 111.027 176.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 20.7 tp10 -68.9 -37.1 78.77 Favored 'General case' 0 C--N 1.265 -3.105 0 CA-C-O 124.573 2.13 . . . . 0.0 113.332 -174.074 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 34.4 p-80 -74.94 -20.39 59.7 Favored 'General case' 0 CA--C 1.586 2.35 0 N-CA-C 117.79 2.515 . . . . 0.0 117.79 163.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -87.45 -28.35 22.15 Favored 'General case' 0 C--O 1.27 2.171 0 N-CA-C 106.931 -1.507 . . . . 0.0 106.931 -179.595 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 90.0 mttt -64.54 -48.52 74.75 Favored 'General case' 0 C--O 1.195 -1.777 0 O-C-N 120.295 -1.503 . . . . 0.0 108.46 168.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.03 -45.73 71.67 Favored 'General case' 0 N--CA 1.485 1.325 0 O-C-N 116.715 -3.741 . . . . 0.0 112.354 176.397 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . 0.287 1.3 t80 -60.59 -37.65 82.06 Favored 'General case' 0 C--N 1.359 0.996 0 CA-C-O 115.736 -2.078 . . . . 0.0 114.155 173.864 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 17.1 mt -72.48 -32.1 65.93 Favored 'General case' 0 C--O 1.198 -1.623 0 O-C-N 125.743 1.902 . . . . 0.0 108.718 177.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -65.11 -45.95 90.06 Favored Glycine 0 C--O 1.205 -1.69 0 CA-C-O 117.303 -1.831 . . . . 0.0 110.225 176.173 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 24.6 tp -59.5 -36.11 75.41 Favored 'General case' 0 CA--C 1.484 -1.588 0 N-CA-C 115.532 1.679 . . . . 0.0 115.532 173.699 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -70.92 -17.99 62.67 Favored 'General case' 0 N--CA 1.425 -1.68 0 O-C-N 125.16 1.538 . . . . 0.0 113.225 179.383 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.0 tptm -96.09 -33.95 11.89 Favored 'General case' 0 CA--C 1.579 2.094 0 O-C-N 119.523 -1.986 . . . . 0.0 111.349 169.658 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.8 t -56.82 -35.19 68.5 Favored 'General case' 0 N--CA 1.502 2.164 0 CA-C-O 124.312 2.006 . . . . 0.0 112.831 178.08 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -54.32 -40.61 68.14 Favored 'General case' 0 C--O 1.258 1.55 0 O-C-N 118.245 -2.784 . . . . 0.0 107.638 173.076 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 72.2 mm-40 -74.98 -25.03 58.55 Favored 'General case' 0 CA--C 1.586 2.351 0 CA-C-N 122.805 2.548 . . . . 0.0 116.038 176.543 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -67.14 -37.77 84.37 Favored 'General case' 0 CA--C 1.492 -1.283 0 C-N-CA 125.878 1.671 . . . . 0.0 114.374 163.039 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.438 ' HA ' HG22 ' B' ' 43' ' ' VAL . 71.7 t -64.86 -46.59 91.42 Favored 'Isoleucine or valine' 0 C--N 1.37 1.478 0 O-C-N 119.964 -1.71 . . . . 0.0 111.573 176.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 85.8 m-20 -55.49 -47.66 75.83 Favored 'General case' 0 CA--C 1.606 3.114 0 CA-C-O 126.965 3.269 . . . . 0.0 111.383 177.07 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.86 -31.01 71.72 Favored 'General case' 0 CA--C 1.549 0.906 0 O-C-N 119.664 -1.898 . . . . 0.0 113.016 -177.569 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 7.5 mm -82.19 -27.03 9.11 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.228 0 CA-C-O 114.974 -2.441 . . . . 0.0 116.572 161.598 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -57.55 -31.46 66.13 Favored 'General case' 0 CA--C 1.592 2.585 0 O-C-N 125.3 1.625 . . . . 0.0 111.911 163.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 57.9 ttt-85 -72.45 -52.06 17.51 Favored 'General case' 0 N--CA 1.402 -2.835 0 O-C-N 117.609 -3.182 . . . . 0.0 112.28 170.537 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 44.6 tp10 -52.72 -35.89 56.62 Favored 'General case' 0 C--N 1.3 -1.549 0 CA-C-O 124.473 2.082 . . . . 0.0 113.691 173.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 3.8 t -75.62 -36.11 33.38 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.062 0 O-C-N 117.316 -3.365 . . . . 0.0 111.968 173.622 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -68.78 -32.44 72.18 Favored 'General case' 0 C--O 1.265 1.899 0 C-N-CA 118.912 -1.115 . . . . 0.0 109.036 174.534 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 64.1 mt -63.38 -37.87 88.95 Favored 'General case' 0 CA--C 1.597 2.752 0 C-N-CA 118.739 -1.185 . . . . 0.0 113.015 175.474 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 36.3 t80 -65.23 -38.85 91.69 Favored 'General case' 0 C--O 1.215 -0.721 0 O-C-N 127.317 2.885 . . . . 0.0 112.181 174.076 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 28.7 ttp-105 -63.91 -49.56 72.15 Favored 'General case' 0 C--N 1.392 2.447 0 C-N-CA 128.316 2.646 . . . . 0.0 113.972 -179.515 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 49.9 mt -56.15 -44.31 79.12 Favored 'General case' 0 C--O 1.278 2.558 0 CA-C-N 114.557 -1.201 . . . . 0.0 108.214 173.031 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 48.9 t30 -74.16 -38.73 63.61 Favored 'General case' 0 N--CA 1.507 2.414 0 CA-C-O 115.508 -2.187 . . . . 0.0 109.167 -170.142 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 22.8 mmtm -70.19 -38.83 75.43 Favored 'General case' 0 C--N 1.365 1.275 0 N-CA-C 119.147 3.018 . . . . 0.0 119.147 178.304 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 75.6 mmm -53.82 -49.45 68.36 Favored 'General case' 0 CA--C 1.51 -0.571 0 C-N-CA 128.405 2.682 . . . . 0.0 108.083 163.64 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -47.14 -51.67 39.67 Favored Pre-proline 0 C--N 1.285 -2.2 0 C-N-CA 129.551 3.14 . . . . 0.0 114.972 -169.622 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_endo -68.29 -35.91 17.57 Favored 'Trans proline' 0 C--N 1.307 -1.627 0 N-CA-C 116.646 1.749 . . . . 0.0 116.646 171.644 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 7.8 p -70.66 -28.92 36.02 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.679 0 CA-C-O 113.698 -3.048 . . . . 0.0 112.887 170.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . 0.321 23.1 m-85 -51.42 -45.58 62.65 Favored 'General case' 0 CA--C 1.542 0.653 0 O-C-N 125.711 1.882 . . . . 0.0 111.259 166.025 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . 0.263 28.6 tp10 -59.19 -55.73 31.15 Favored 'General case' 0 CA--C 1.569 1.708 0 O-C-N 119.754 -1.841 . . . . 0.0 112.042 172.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 70.6 mttt -58.82 -39.29 80.75 Favored 'General case' 0 CA--C 1.49 -1.358 0 N-CA-C 115.086 1.513 . . . . 0.0 115.086 -178.137 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 45.8 ttp180 -60.75 -59.44 5.38 Favored 'General case' 0 C--N 1.356 0.891 0 C-N-CA 126.849 2.06 . . . . 0.0 108.845 178.461 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 37.7 m-20 -75.08 -17.92 60.38 Favored 'General case' 0 N--CA 1.413 -2.311 0 O-C-N 120.19 -1.569 . . . . 0.0 112.128 -165.276 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -53.96 -43.97 70.33 Favored 'General case' 0 CA--C 1.562 1.413 0 CA-C-O 117.255 -1.355 . . . . 0.0 111.48 164.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 64.1 m-85 -77.01 -37.94 54.05 Favored 'General case' 0 N--CA 1.429 -1.524 0 CA-C-N 122.682 2.492 . . . . 0.0 110.926 175.165 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 69.9 mt -53.46 -45.49 58.05 Favored 'Isoleucine or valine' 0 CA--C 1.478 -1.805 0 CA-C-O 116.212 -1.851 . . . . 0.0 110.736 174.484 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 57.1 m-20 -56.18 -17.82 8.4 Favored 'General case' 0 CA--C 1.573 1.828 0 C-N-CA 126.869 2.067 . . . . 0.0 113.442 -179.238 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 70.0 mm-40 -89.03 -27.47 20.82 Favored 'General case' 1 N--CA 1.54 4.052 0 O-C-N 119.049 -2.282 . . . . 0.0 115.221 175.476 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 9.5 mm -71.42 139.86 19.17 Favored 'Isoleucine or valine' 0 C--N 1.4 2.762 0 O-C-N 118.934 -2.354 . . . . 0.0 114.861 -176.102 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . 0.267 . . -77.08 139.18 39.93 Favored 'General case' 0 C--O 1.211 -0.929 0 O-C-N 120.951 -1.093 . . . . 0.0 111.494 177.45 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . 0.311 8.5 mm-40 61.72 3.87 0.96 Allowed 'General case' 0 C--N 1.291 -1.945 0 N-CA-C 118.68 2.845 . . . . 0.0 118.68 170.696 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 24.7 t80 -46.0 -58.86 3.22 Favored 'General case' 0 C--N 1.37 1.464 0 C-N-CA 128.088 2.555 . . . . 0.0 112.948 -167.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 91.8 m95 -68.63 -35.11 76.86 Favored 'General case' 0 CA--C 1.607 3.163 0 O-C-N 120.224 -1.547 . . . . 0.0 112.523 -178.095 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 44.2 tttm -63.58 -33.09 74.84 Favored 'General case' 0 CA--C 1.555 1.144 0 CA-C-N 119.428 1.013 . . . . 0.0 111.156 175.49 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 90.8 mt -69.0 -48.14 71.62 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.492 0 C-N-CA 126.554 1.942 . . . . 0.0 112.491 172.307 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 24.1 t -54.44 -48.95 68.57 Favored 'Isoleucine or valine' 0 N--CA 1.513 2.711 0 C-N-CA 127.36 2.264 . . . . 0.0 106.308 177.108 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 56.0 mt -77.54 -3.14 39.17 Favored 'General case' 0 N--CA 1.538 3.926 0 C-N-CA 129.286 3.034 . . . . 0.0 114.975 177.171 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 61.6 m -93.73 -37.08 11.98 Favored 'General case' 0 CA--C 1.568 1.66 0 O-C-N 119.318 -2.113 . . . . 0.0 112.916 165.733 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 28.4 mm100 -65.73 -28.25 68.91 Favored 'General case' 0 CA--C 1.599 2.85 0 O-C-N 119.344 -2.097 . . . . 0.0 114.242 160.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . 0.292 2.9 t-80 -87.26 75.56 9.31 Favored 'General case' 0 C--O 1.271 2.234 0 CA-C-O 127.465 3.507 . . . . 0.0 115.795 -172.013 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 34.2 m -71.54 -21.68 21.58 Favored 'Isoleucine or valine' 0 N--CA 1.51 2.57 0 O-C-N 118.174 -2.828 . . . . 0.0 114.197 -168.24 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 32.2 m -61.24 -42.23 98.25 Favored 'General case' 0 N--CA 1.498 1.969 0 C-N-CA 117.018 -1.873 . . . . 0.0 114.375 165.615 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -68.03 -41.08 82.67 Favored 'General case' 0 C--O 1.259 1.579 0 CA-C-O 117.324 -1.322 . . . . 0.0 113.037 171.02 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.4 -3.4 1.37 Allowed 'General case' 0 N--CA 1.487 1.424 0 CA-C-O 114.433 -2.699 . . . . 0.0 115.963 169.134 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 53.3 t30 -93.32 -33.79 13.77 Favored 'General case' 0 C--O 1.272 2.276 0 O-C-N 126.503 2.377 . . . . 0.0 116.299 159.348 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 15.9 m-85 -76.22 -33.02 59.22 Favored 'General case' 0 C--O 1.261 1.696 0 O-C-N 117.354 -3.341 . . . . 0.0 110.831 177.517 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 43.5 mm -99.55 130.88 47.92 Favored 'Isoleucine or valine' 0 C--N 1.411 3.243 0 O-C-N 120.778 -1.201 . . . . 0.0 112.068 179.528 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 1.4 ptm180 -91.45 122.43 34.04 Favored 'General case' 0 C--N 1.295 -1.781 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.765 -171.213 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.5 ' HA ' ' CD1' ' A' ' 77' ' ' PHE . . . -51.43 -13.07 0.19 Allowed 'General case' 0 N--CA 1.436 -1.172 0 N-CA-C 119.868 3.284 . . . . 0.0 119.868 -170.847 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 18.4 m -65.19 -30.6 71.52 Favored 'General case' 0 CA--C 1.598 2.819 0 CA-C-O 127.487 3.518 . . . . 0.0 114.018 167.048 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -76.96 -15.27 59.71 Favored 'General case' 0 N--CA 1.521 3.107 0 O-C-N 117.258 -3.401 . . . . 0.0 109.449 176.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.5 ' CD1' ' HA ' ' A' ' 74' ' ' ALA . 6.4 m-30 -56.97 -37.85 72.17 Favored 'General case' 0 C--O 1.258 1.512 0 N-CA-C 117.267 2.321 . . . . 0.0 117.267 -164.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . 0.265 12.0 ptpt -53.11 -34.35 56.27 Favored 'General case' 0 N--CA 1.427 -1.609 0 N-CA-C 113.52 0.933 . . . . 0.0 113.52 171.233 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 75.7 m-85 -83.58 -46.21 12.65 Favored 'General case' 0 N--CA 1.513 2.719 0 CA-C-O 116.717 -1.611 . . . . 0.0 111.256 179.061 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.441 ' CG1' ' HA ' ' A' ' 77' ' ' PHE . 3.2 pt -67.55 -20.1 25.97 Favored 'Isoleucine or valine' 0 C--O 1.185 -2.307 0 CA-C-N 121.285 1.857 . . . . 0.0 111.217 177.538 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . 0.294 95.7 m-20 -66.67 -17.23 64.73 Favored 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 118.059 2.614 . . . . 0.0 118.059 170.797 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 11.7 p -77.93 -5.59 51.6 Favored 'General case' 0 C--O 1.262 1.714 0 N-CA-C 114.582 1.327 . . . . 0.0 114.582 166.639 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . 0.256 81.3 mt -54.99 114.62 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.385 2.141 0 O-C-N 120.661 -1.274 . . . . 0.0 108.219 174.588 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . 0.254 42.3 t0 -99.04 -28.38 13.42 Favored 'General case' 0 C--N 1.285 -2.198 0 C-N-CA 130.434 3.494 . . . . 0.0 112.678 169.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 44.5 tttp -145.02 129.48 17.9 Favored 'General case' 0 N--CA 1.49 1.566 0 CA-C-N 123.702 2.955 . . . . 0.0 111.293 -179.519 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 21.3 mt -114.06 136.19 51.35 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.821 0 CA-C-O 127.398 3.475 . . . . 0.0 107.703 161.055 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 73.0 tttt -131.24 157.91 41.98 Favored 'General case' 0 N--CA 1.506 2.35 0 O-C-N 116.739 -3.726 . . . . 0.0 104.825 167.429 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 21.7 t -141.18 139.8 32.79 Favored 'Isoleucine or valine' 0 C--O 1.201 -1.483 0 CA-C-N 111.233 -2.712 . . . . 0.0 106.413 169.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . 0.259 3.5 pt-20 -138.7 142.01 38.95 Favored 'General case' 0 CA--C 1.577 2.006 0 CA-C-O 113.192 -3.29 . . . . 0.0 108.926 -178.855 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 1.8 m-90 -94.89 120.03 34.43 Favored 'General case' 0 C--O 1.262 1.759 1 O-C-N 129.376 4.172 . . . . 0.0 112.62 -178.451 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.419 ' HB3' ' CD1' ' A' ' 98' ' ' TYR . 70.3 mt -69.24 -24.0 63.94 Favored 'General case' 0 CA--C 1.469 -2.155 0 N-CA-C 115.461 1.652 . . . . 0.0 115.461 -160.696 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -59.86 -18.12 41.92 Favored 'General case' 0 N--CA 1.486 1.329 0 O-C-N 118.315 -2.74 . . . . 0.0 115.003 -178.353 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 44.7 mt -82.25 -28.35 31.93 Favored 'General case' 0 N--CA 1.422 -1.838 0 O-C-N 126.778 2.549 . . . . 0.0 116.543 176.566 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -78.29 -25.42 46.64 Favored 'General case' 0 C--O 1.246 0.882 0 O-C-N 126.719 2.512 . . . . 0.0 112.423 174.613 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 9.3 t -169.08 159.61 9.28 Favored 'General case' 0 CA--C 1.549 0.931 0 O-C-N 124.594 1.184 . . . . 0.0 111.974 -174.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 67.6 mm-40 -67.79 -22.05 65.2 Favored 'General case' 0 N--CA 1.44 -0.932 0 C-N-CA 127.599 2.36 . . . . 0.0 115.606 166.395 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 6.4 ttt -61.18 -22.25 64.56 Favored 'General case' 0 CA--C 1.501 -0.913 0 O-C-N 124.934 1.396 . . . . 0.0 114.321 -178.418 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . 0.419 ' CD1' ' HB3' ' A' ' 91' ' ' LEU . 69.0 m-85 -107.15 165.29 11.47 Favored 'General case' 0 C--O 1.267 2.003 0 C-N-CA 128.603 2.761 . . . . 0.0 110.901 175.586 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -101.25 165.16 11.43 Favored 'General case' 0 C--N 1.369 1.449 0 O-C-N 116.315 -3.991 . . . . 0.0 112.221 166.573 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 25.0 p -62.46 -16.96 58.24 Favored 'General case' 0 C--O 1.254 1.304 0 N-CA-C 113.878 1.066 . . . . 0.0 113.878 174.61 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 10.2 mmp_? -62.59 -23.87 67.26 Favored 'General case' 0 N--CA 1.52 3.04 0 O-C-N 117.572 -3.205 . . . . 0.0 112.06 165.156 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 61.8 m-20 -101.0 146.55 27.27 Favored 'General case' 0 C--N 1.37 1.493 0 C-N-CA 115.861 -2.336 . . . . 0.0 112.363 -160.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 50.3 p90 -142.74 155.0 44.79 Favored 'General case' 0 CA--C 1.57 1.715 0 O-C-N 117.659 -3.15 . . . . 0.0 110.981 -162.544 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 41.5 t -133.67 131.07 39.08 Favored 'General case' 0 N--CA 1.5 2.031 0 O-C-N 120.112 -1.618 . . . . 0.0 108.927 169.57 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 14.3 mt -94.35 137.27 23.42 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.343 0 N-CA-C 106.765 -1.568 . . . . 0.0 106.765 -172.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 87.1 m -123.58 139.95 53.48 Favored 'General case' 0 C--O 1.204 -1.293 0 C-N-CA 125.163 1.385 . . . . 0.0 113.742 170.1 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -127.36 143.28 51.24 Favored 'General case' 0 CA--C 1.466 -2.265 0 C-N-CA 126.778 2.031 . . . . 0.0 114.789 169.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 84.0 t60 -115.41 141.17 48.4 Favored 'General case' 0 N--CA 1.524 3.248 0 O-C-N 120.151 -1.593 . . . . 0.0 108.181 154.495 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 33.5 m-85 -120.9 120.71 36.28 Favored 'General case' 0 N--CA 1.426 -1.648 0 C-N-CA 130.039 3.336 . . . . 0.0 111.873 177.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . 0.29 27.4 t60 -65.69 -17.53 64.67 Favored 'General case' 0 C--O 1.253 1.237 0 O-C-N 128.345 3.528 . . . . 0.0 113.303 179.678 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 72.17 172.93 19.45 Favored Glycine 0 C--O 1.185 -2.919 0 CA-C-O 126.839 3.466 . . . . 0.0 117.418 178.422 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 32.9 mt -130.73 118.97 44.25 Favored 'Isoleucine or valine' 0 C--N 1.382 1.98 0 O-C-N 116.832 -3.746 . . . . 0.0 106.984 175.147 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -54.97 122.11 10.17 Favored 'General case' 0 N--CA 1.487 1.416 0 CA-C-O 122.748 1.261 . . . . 0.0 108.926 -179.142 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 96.71 2.25 59.91 Favored Glycine 0 CA--C 1.564 3.117 1 CA-C-O 110.583 -5.565 . . . . 0.0 115.144 176.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 20.2 t0 -148.81 -39.3 0.16 Allowed 'General case' 0 C--O 1.191 -1.997 0 CA-C-N 122.594 3.197 . . . . 0.0 112.575 -177.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . 0.403 ' CE1' ' NE2' ' A' ' 119' ' ' GLN . 61.4 t80 -137.17 126.74 25.21 Favored 'General case' 0 CA--C 1.569 1.687 0 O-C-N 120.446 -1.409 . . . . 0.0 108.686 -168.738 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 27.4 mtpp -70.18 139.46 52.36 Favored 'General case' 0 CA--C 1.579 2.068 0 CA-C-O 124.418 2.056 . . . . 0.0 111.408 -179.725 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -60.64 124.4 20.29 Favored 'General case' 1 N--CA 1.572 5.638 0 O-C-N 119.92 -1.738 . . . . 0.0 110.172 160.879 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . 0.403 ' NE2' ' CE1' ' A' ' 116' ' ' PHE . 9.8 pt20 -165.54 137.48 4.08 Favored 'General case' 0 N--CA 1.449 -0.524 0 N-CA-C 120.043 3.349 . . . . 0.0 120.043 -170.719 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 25.2 tt0 -100.18 141.75 32.58 Favored 'General case' 0 N--CA 1.535 3.779 0 O-C-N 126.828 2.58 . . . . 0.0 107.624 177.432 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 24.0 t -151.54 125.63 1.41 Allowed 'Isoleucine or valine' 0 N--CA 1.417 -2.098 0 C-N-CA 125.143 1.377 . . . . 0.0 110.609 -173.162 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 53.1 m -111.57 133.97 53.48 Favored 'General case' 0 C--O 1.275 2.444 0 C-N-CA 128.466 2.706 . . . . 0.0 112.107 176.392 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . 0.489 ' HE2' ' O ' ' A' ' 182' ' ' TRP . 64.9 tttp -134.26 118.62 17.76 Favored 'General case' 0 C--N 1.371 1.54 0 O-C-N 117.066 -3.522 . . . . 0.0 108.764 -174.036 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 17.4 t -74.6 138.76 20.41 Favored 'Isoleucine or valine' 0 C--N 1.382 1.996 0 CA-C-O 126.007 2.813 . . . . 0.0 112.327 177.75 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 76.7 m-85 -134.88 158.75 43.44 Favored 'General case' 0 N--CA 1.483 1.216 0 O-C-N 116.831 -3.668 . . . . 0.0 109.672 171.706 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -155.9 129.75 8.55 Favored 'General case' 0 C--N 1.365 1.256 0 C-N-CA 131.573 3.949 . . . . 0.0 112.566 -166.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . 0.442 HG12 HD13 ' A' ' 139' ' ' LEU . 21.3 mt -93.24 149.68 4.17 Favored 'Isoleucine or valine' 0 C--O 1.248 0.991 0 CA-C-N 120.769 1.622 . . . . 0.0 113.078 169.695 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 50.3 mmtt -90.59 -176.84 4.86 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 116.786 -3.696 . . . . 0.0 113.599 -179.056 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 59.6 tttt 61.14 71.46 0.56 Allowed 'General case' 0 C--N 1.305 -1.366 0 CA-C-O 124.209 1.956 . . . . 0.0 114.79 172.527 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -70.62 178.87 31.19 Favored Glycine 0 C--O 1.269 2.286 0 O-C-N 119.379 -2.076 . . . . 0.0 114.065 165.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . 0.333 55.1 mttm -59.91 138.56 57.79 Favored 'General case' 0 C--N 1.296 -1.723 0 C-N-CA 127.553 2.341 . . . . 0.0 110.345 177.3 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 66.32 -2.94 0.9 Allowed 'General case' 0 CA--C 1.574 1.903 0 O-C-N 126.57 2.419 . . . . 0.0 115.698 -166.427 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 69.9 m-20 -81.88 154.11 26.01 Favored 'General case' 1 N--CA 1.541 4.096 0 O-C-N 118.589 -2.569 . . . . 0.0 115.3 179.689 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 87.4 mm-40 -118.71 0.61 11.5 Favored 'General case' 0 C--O 1.254 1.316 0 C-N-CA 128.782 2.833 . . . . 0.0 114.725 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -69.17 172.48 6.82 Favored 'General case' 0 C--N 1.361 1.096 0 O-C-N 119.947 -1.721 . . . . 0.0 113.732 169.001 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 77.4 m-20 -78.2 135.14 37.55 Favored 'General case' 0 N--CA 1.488 1.47 0 N-CA-C 113.358 0.873 . . . . 0.0 113.358 170.52 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -73.97 37.77 0.93 Allowed Glycine 0 N--CA 1.493 2.499 0 C-N-CA 127.771 2.605 . . . . 0.0 119.165 176.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' ILE . . . . . . . . . . . . . 16.3 pt -64.17 152.38 8.38 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 O-C-N 127.579 2.576 . . . . 0.0 114.56 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . 0.442 HD13 HG12 ' A' ' 127' ' ' ILE . 26.1 tp -92.93 137.64 32.18 Favored 'General case' 0 C--O 1.26 1.656 0 CA-C-O 115.276 -2.297 . . . . 0.0 115.575 164.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' THR . . . . . . . . . . . . . 43.4 p -149.44 158.08 43.86 Favored 'General case' 0 C--N 1.368 1.392 0 O-C-N 125.741 1.901 . . . . 0.0 106.167 -160.231 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 46.8 t -149.93 154.73 38.76 Favored 'General case' 0 CA--C 1.564 1.517 0 C-N-CA 124.888 1.275 . . . . 0.0 109.495 -170.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 47.9 mm-40 -82.82 144.81 48.87 Favored Pre-proline 0 N--CA 1.485 1.307 0 O-C-N 123.884 0.74 . . . . 0.0 110.366 165.446 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -76.4 145.42 26.82 Favored 'Trans proline' 0 CA--C 1.57 2.323 1 C-N-CA 125.582 4.188 . . . . 0.0 105.407 -177.748 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 43.7 t -142.77 134.25 12.94 Favored Pre-proline 0 C--O 1.258 1.548 0 CA-C-N 121.376 1.898 . . . . 0.0 110.17 -174.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -61.19 154.2 59.47 Favored 'Trans proline' 0 C--N 1.37 1.689 0 O-C-N 113.567 -3.965 . . . . 0.0 110.382 -171.627 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 15.1 tt -157.5 140.21 6.24 Favored 'Isoleucine or valine' 0 CA--C 1.568 1.664 0 O-C-N 120.29 -1.506 . . . . 0.0 112.357 167.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 41.8 mm-40 -77.27 101.99 6.5 Favored 'General case' 0 C--N 1.393 2.497 0 CA-C-O 115.582 -2.151 . . . . 0.0 110.042 -173.036 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 148' ' ' TRP . . . . . . . . . . . . . 11.4 m0 -74.53 150.36 86.83 Favored Pre-proline 0 N--CA 1.437 -1.113 0 CA-C-N 125.84 3.927 . . . . 0.0 112.406 -174.53 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 11.0 Cg_endo -52.48 139.61 55.77 Favored 'Trans proline' 0 C--O 1.268 2.016 0 C-N-CA 125.23 3.954 . . . . 0.0 108.41 175.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -65.27 -21.76 66.77 Favored 'General case' 0 C--N 1.4 2.786 0 N-CA-C 117.392 2.367 . . . . 0.0 117.392 178.476 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 56.2 p -81.96 -3.52 54.54 Favored 'General case' 0 N--CA 1.504 2.254 0 C-N-CA 125.192 1.397 . . . . 0.0 111.758 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 152' ' ' TYR . . . . . . . . . . . . . 4.1 m-30 -92.9 1.4 57.31 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 117.645 -3.159 . . . . 0.0 112.438 173.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 36.7 p-10 -70.09 -12.18 61.42 Favored 'General case' 0 N--CA 1.507 2.396 0 O-C-N 117.821 -3.049 . . . . 0.0 113.818 -162.49 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 88.0 p -73.6 -19.89 60.75 Favored 'General case' 0 N--CA 1.439 -0.997 0 C-N-CA 128.341 2.656 . . . . 0.0 116.372 164.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 14.1 pt -120.77 -23.6 3.13 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.251 0 O-C-N 117.311 -3.368 . . . . 0.0 110.953 174.098 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 62.9 t-20 -52.04 113.86 4.71 Favored Pre-proline 0 CA--C 1.613 3.398 0 CA-C-N 121.712 2.051 . . . . 0.0 114.38 173.171 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 157' ' ' PRO . . . . . . . . . . . . 0.279 24.6 Cg_exo -46.46 -32.24 10.92 Favored 'Trans proline' 0 C--N 1.362 1.238 0 C-N-CA 122.49 2.127 . . . . 0.0 116.84 174.552 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 158' ' ' ASP . . . . . . . . . . . . 0.302 40.3 m-20 -73.64 -24.06 59.96 Favored 'General case' 0 CA--C 1.569 1.69 0 CA-C-O 124.102 1.906 . . . . 0.0 115.433 178.872 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 69.7 mt -121.3 -9.54 9.06 Favored 'General case' 0 C--N 1.272 -2.775 0 N-CA-C 118.338 2.718 . . . . 0.0 118.338 -173.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 160' ' ' ILE . . . . . . . . . . . . 0.356 5.8 pt -69.15 132.15 33.31 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.714 0 CA-C-O 115.282 -2.294 . . . . 0.0 114.981 163.239 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 41.9 pttt -73.21 -8.06 54.14 Favored 'General case' 0 C--O 1.2 -1.532 0 O-C-N 128.119 3.387 . . . . 0.0 111.063 -168.566 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 162' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -163.9 141.9 7.35 Favored 'General case' 0 C--O 1.27 2.139 0 CA-C-O 122.462 1.125 . . . . 0.0 111.181 -171.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 9.9 mptt -114.89 -5.26 12.58 Favored 'General case' 0 CA--C 1.588 2.427 0 CA-C-O 115.924 -1.988 . . . . 0.0 107.881 -179.582 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 164' ' ' ARG . . . . . 0.475 ' O ' ' HE3' ' A' ' 169' ' ' LYS 0.554 9.7 ptp85 -100.22 -25.72 14.17 Favored 'General case' 0 N--CA 1.496 1.871 0 CA-C-O 114.186 -2.816 . . . . 0.0 115.053 -163.874 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 50.6 p -67.1 165.81 24.67 Favored Pre-proline 0 C--O 1.193 -1.887 0 CA-C-O 114.083 -2.865 . . . . 0.0 110.952 173.19 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 166' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_exo -56.62 -42.98 59.46 Favored 'Trans proline' 0 CA--C 1.568 2.194 0 CA-C-N 121.721 1.65 . . . . 0.0 115.913 171.181 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -56.45 -48.16 77.63 Favored 'General case' 0 C--N 1.297 -1.678 0 C-N-CA 127.627 2.371 . . . . 0.0 111.155 170.484 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -67.3 -28.32 73.66 Favored Glycine 0 N--CA 1.501 2.997 0 CA-C-O 118.848 -0.973 . . . . 0.0 112.183 -179.601 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 169' ' ' LYS . . . . . 0.475 ' HE3' ' O ' ' A' ' 164' ' ' ARG . 74.9 mttt -68.97 -30.29 68.68 Favored 'General case' 0 C--O 1.255 1.368 0 C-N-CA 126.612 1.965 . . . . 0.0 112.06 171.04 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 50.5 mttm -83.86 -48.25 10.24 Favored 'General case' 0 CA--C 1.496 -1.104 0 O-C-N 125.529 1.768 . . . . 0.0 109.158 -179.023 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 171' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -53.04 -45.68 68.14 Favored 'General case' 0 N--CA 1.418 -2.045 0 CA-C-O 116.612 -1.661 . . . . 0.0 113.954 167.41 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 172' ' ' TYR . . . . . . . . . . . . . 43.6 t80 -60.44 -47.58 85.49 Favored 'General case' 0 C--O 1.183 -2.416 0 CA-C-O 116.682 -1.628 . . . . 0.0 114.764 169.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 86.4 mtm-85 -56.85 -44.1 81.8 Favored 'General case' 0 C--N 1.36 1.026 0 C-N-CA 128.601 2.76 . . . . 0.0 115.842 175.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 174' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 -72.93 -39.54 66.18 Favored 'General case' 0 C--O 1.174 -2.916 0 O-C-N 125.741 1.901 . . . . 0.0 106.253 178.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -60.95 -51.7 56.93 Favored Glycine 0 CA--C 1.555 2.544 0 N-CA-C 107.556 -2.218 . . . . 0.0 107.556 174.327 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 176' ' ' MET . . . . . . . . . . . . . 10.4 ptt? -72.95 -3.45 25.98 Favored 'General case' 0 N--CA 1.493 1.679 0 N-CA-C 115.612 1.708 . . . . 0.0 115.612 -172.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 177' ' ' LYS . . . . . 0.545 ' HE3' ' HG2' ' C' ' 378' ' ' GLU 0.4 40.5 tttm -87.8 -8.38 56.01 Favored 'General case' 0 CA--C 1.553 1.078 0 C-N-CA 128.79 2.836 . . . . 0.0 111.179 177.07 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 35.0 p -90.15 154.14 19.99 Favored 'General case' 0 CA--C 1.572 1.791 0 O-C-N 118.481 -2.637 . . . . 0.0 113.275 -172.448 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 179' ' ' ILE . . . . . . . . . . . . . 8.2 tp -44.28 -33.25 0.87 Allowed 'Isoleucine or valine' 0 C--O 1.265 1.888 0 O-C-N 127.788 3.18 . . . . 0.0 114.893 171.439 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 180' ' ' PHE . . . . . . . . . . . . 0.254 1.7 m-85 -83.91 -22.29 31.61 Favored 'General case' 0 N--CA 1.408 -2.525 0 O-C-N 118.113 -2.867 . . . . 0.0 110.843 -177.048 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 181' ' ' GLY . . . . . . . . . . . . . . . -62.68 -39.22 97.65 Favored Glycine 0 C--O 1.208 -1.509 0 C-N-CA 127.898 2.666 . . . . 0.0 116.292 167.144 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 182' ' ' TRP . . . . . 0.489 ' O ' ' HE2' ' A' ' 123' ' ' LYS . 27.0 t90 -65.64 -23.2 66.75 Favored 'General case' 0 CA--C 1.588 2.428 0 CA-C-O 115.976 -1.964 . . . . 0.0 110.851 175.739 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 183' ' ' PHE . . . . . . . . . . . . . 16.2 m-85 -78.07 -24.37 47.71 Favored 'General case' 0 C--O 1.201 -1.452 0 CA-C-O 123.993 1.854 . . . . 0.0 109.789 -179.152 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 184' ' ' ARG . . . . . . . . . . . . . 20.2 tpp85 -81.45 -25.72 35.87 Favored 'General case' 0 N--CA 1.524 3.236 2 O-C-N 115.458 -4.526 . . . . 0.0 112.473 168.552 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 185' ' ' TRP . . . . . . . . . . . . . 60.6 t90 -55.42 149.32 13.5 Favored 'General case' 0 N--CA 1.417 -2.102 0 N-CA-C 115.756 1.761 . . . . 0.0 115.756 176.088 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 24.7 p -147.47 -7.0 0.46 Allowed 'General case' 0 C--N 1.287 -2.123 0 O-C-N 119.425 -2.047 . . . . 0.0 113.621 -170.303 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . 85.15 15.36 67.1 Favored Glycine 0 N--CA 1.486 2.01 0 CA-C-N 120.258 1.39 . . . . 0.0 115.757 177.185 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 96.0 mt -131.67 7.23 4.44 Favored 'General case' 0 CA--C 1.564 1.493 0 N-CA-C 116.376 1.991 . . . . 0.0 116.376 -170.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . 38.7 mtmt -140.43 66.58 29.71 Favored Pre-proline 0 CA--C 1.489 -1.396 0 CA-C-O 115.004 -2.427 . . . . 0.0 111.01 -167.576 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 190' ' ' PRO . . . . . . . . . . . . . 76.8 Cg_exo -65.4 130.71 25.98 Favored 'Trans proline' 0 C--N 1.372 1.8 0 O-C-N 125.577 2.356 . . . . 0.0 114.255 -173.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 191' ' ' GLY . . . . . . . . . . . . . . . 82.6 4.01 90.28 Favored Glycine 0 CA--C 1.555 2.594 0 CA-C-O 115.453 -2.86 . . . . 0.0 115.571 -174.529 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 192' ' ' LYS . . . . . . . . . . . . . 46.3 mttp -126.13 2.35 7.18 Favored 'General case' 0 N--CA 1.499 1.984 0 C-N-CA 126.738 2.015 . . . . 0.0 111.203 173.121 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 193' ' ' GLU . . . . . . . . . . . . . 23.9 pt-20 -144.61 166.9 23.86 Favored 'General case' 0 C--O 1.267 2.013 0 N-CA-C 115.821 1.786 . . . . 0.0 115.821 176.455 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 194' ' ' PHE . . . . . . . . . . . . . 51.0 t80 -46.24 113.22 2.07 Favored Pre-proline 0 N--CA 1.492 1.665 0 C-N-CA 128.041 2.537 . . . . 0.0 114.413 -165.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 195' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo -61.2 139.94 86.31 Favored 'Trans proline' 0 N--CA 1.434 -1.975 0 N-CA-C 115.481 1.3 . . . . 0.0 115.481 -176.118 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 196' ' ' HIS . . . . . . . . . . . . . 17.8 m-70 66.55 23.03 10.48 Favored 'General case' 0 CA--C 1.559 1.306 0 C-N-CA 125.296 1.439 . . . . 0.0 112.522 179.476 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 197' ' ' GLY . . . . . . . . . . . . . . . -66.26 -17.83 66.54 Favored Glycine 0 C--N 1.383 3.148 0 CA-C-O 114.637 -3.313 . . . . 0.0 111.337 179.021 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 198' ' ' ASP . . . . . . . . . . . . . 26.5 p-10 -74.03 -46.21 44.82 Favored 'General case' 0 N--CA 1.517 2.911 0 CA-C-O 113.385 -3.198 . . . . 0.0 115.173 162.481 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 199' ' ' SER . . . . . . . . . . . . . 74.0 m -69.61 -39.18 77.38 Favored 'General case' 0 C--N 1.299 -1.606 0 CA-C-N 122.673 2.488 . . . . 0.0 109.354 -177.642 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 200' ' ' LEU . . . . . . . . . . . . . 40.9 tp -54.25 -50.51 67.04 Favored 'General case' 0 CA--C 1.49 -1.353 0 C-N-CA 123.677 0.791 . . . . 0.0 112.416 169.519 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 201' ' ' ALA . . . . . . . . . . . . . . . -66.6 -31.27 71.86 Favored 'General case' 0 CA--C 1.506 -0.724 0 C-N-CA 124.745 1.218 . . . . 0.0 112.302 -175.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 202' ' ' SER . . . . . . . . . . . . . 14.3 m -72.4 -38.15 68.5 Favored 'General case' 0 C--N 1.385 2.137 0 N-CA-C 118.021 2.6 . . . . 0.0 118.021 166.706 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 203' ' ' LEU . . . . . . . . . . . . . 96.5 mt -56.59 -47.97 78.43 Favored 'General case' 0 C--O 1.256 1.422 0 CA-C-N 120.532 1.514 . . . . 0.0 111.11 173.052 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 204' ' ' PHE . . . . . . . . . . . . . 17.1 m-85 -56.4 -54.71 42.38 Favored 'General case' 0 N--CA 1.498 1.952 0 CA-C-O 118.837 -0.601 . . . . 0.0 110.073 179.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 205' ' ' SER . . . . . . . . . . . . . 8.8 p -84.0 -19.19 34.94 Favored 'General case' 0 C--N 1.368 1.41 0 CA-C-O 115.931 -1.985 . . . . 0.0 114.804 -168.676 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 206' ' ' GLU . . . . . . . . . . . . . 59.0 mm-40 -107.16 -16.84 14.32 Favored 'General case' 0 C--N 1.363 1.176 0 N-CA-C 117.504 2.409 . . . . 0.0 117.504 170.006 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 207' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -127.11 -69.79 0.74 Allowed 'General case' 0 N--CA 1.527 3.412 0 CA-C-N 121.668 2.031 . . . . 0.0 114.973 177.693 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 208' ' ' ILE . . . . . . . . . . . . . 65.5 mt -56.1 -42.17 71.51 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.232 0 CA-C-O 125.95 2.786 . . . . 0.0 113.987 -163.488 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 209' ' ' TYR . . . . . . . . . . . . . 85.3 t80 -92.98 -44.98 0.32 Allowed Pre-proline 0 CA--C 1.564 1.506 0 N-CA-C 117.3 2.333 . . . . 0.0 117.3 -177.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 210' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_exo -62.68 -33.34 77.43 Favored 'Trans proline' 0 N--CA 1.433 -2.051 0 O-C-N 124.505 1.792 . . . . 0.0 112.58 173.105 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 211' ' ' PHE . . . . . . . . . . . . . 45.0 m-85 -116.26 31.27 6.83 Favored 'General case' 0 CA--C 1.558 1.288 0 CA-C-N 121.56 1.982 . . . . 0.0 113.797 178.416 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 212' ' ' CYS . . . . . . . . . . . . . 13.0 p -44.54 -42.19 7.05 Favored 'General case' 0 CA--C 1.557 1.214 0 O-C-N 116.737 -3.727 . . . . 0.0 111.487 173.026 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 213' ' ' VAL . . . . . . . . . . . . 0.323 18.6 t -67.78 -50.7 57.73 Favored 'Isoleucine or valine' 0 C--O 1.275 2.442 0 CA-C-O 115.453 -2.213 . . . . 0.0 111.905 178.714 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 214' ' ' LYS . . . . . . . . . . . . . 73.2 tttt -46.84 -47.33 21.19 Favored 'General case' 0 C--O 1.271 2.196 0 C-N-CA 127.639 2.376 . . . . 0.0 109.452 176.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 215' ' ' TYR . . . . . . . . . . . . . 62.5 m-85 -77.91 -28.96 49.86 Favored 'General case' 0 N--CA 1.537 3.88 0 CA-C-N 120.424 1.465 . . . . 0.0 111.237 178.147 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 216' ' ' TYR . . . . . . . . . . . . . 83.3 t80 -65.29 -41.11 94.45 Favored 'General case' 0 CA--C 1.556 1.174 0 CA-C-N 121.649 2.022 . . . . 0.0 110.268 175.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 217' ' ' ALA . . . . . . . . . . . . . . . -70.61 -18.92 62.87 Favored 'General case' 0 N--CA 1.399 -2.979 0 C-N-CA 128.729 2.812 . . . . 0.0 112.206 -174.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 218' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -77.35 -31.16 54.24 Favored 'General case' 0 CA--C 1.596 2.74 0 C-N-CA 127.908 2.483 . . . . 0.0 110.619 174.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 219' ' ' ALA . . . . . . . . . . . . . . . -78.76 -25.5 44.48 Favored 'General case' 0 N--CA 1.53 3.531 0 N-CA-C 107.255 -1.387 . . . . 0.0 107.255 175.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 220' ' ' GLN . . . . . . . . . . . . . 25.3 mm-40 -76.82 113.36 14.41 Favored 'General case' 0 N--CA 1.494 1.74 0 CA-C-N 120.573 1.533 . . . . 0.0 111.649 -176.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 221' ' ' ARG . . . . . . . . . . . . . 55.6 mmt-85 -150.34 152.6 34.68 Favored 'General case' 0 CA--C 1.587 2.388 0 N-CA-C 115.29 1.589 . . . . 0.0 115.29 -175.153 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 222' ' ' ASP . . . . . . . . . . . . . 81.9 m-20 -95.63 -6.07 40.99 Favored 'General case' 0 N--CA 1.44 -0.964 0 O-C-N 127.773 3.17 . . . . 0.0 114.211 171.082 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 223' ' ' LEU . . . . . . . . . . . . . 81.9 mt -124.92 131.88 53.37 Favored 'General case' 0 N--CA 1.506 2.337 0 N-CA-C 108.035 -1.098 . . . . 0.0 108.035 -163.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 224' ' ' GLU . . . . . . . . . . . . . 21.0 pt-20 -65.77 12.24 0.06 Allowed 'General case' 0 N--CA 1.439 -1.018 0 C-N-CA 128.377 2.671 . . . . 0.0 116.999 178.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 225' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -145.44 17.76 1.51 Allowed 'General case' 0 CA--C 1.575 1.916 0 N-CA-C 117.091 2.256 . . . . 0.0 117.091 -174.394 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 226' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -146.3 22.16 1.35 Allowed 'General case' 0 C--O 1.185 -2.294 0 C-N-CA 126.18 1.792 . . . . 0.0 114.639 -179.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -104.92 85.13 2.24 Favored 'General case' 0 CA--C 1.57 1.741 0 C-N-CA 130.141 3.376 . . . . 0.0 109.945 -176.233 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 228' ' ' GLY . . . . . . . . . . . . . . . -121.28 135.24 10.51 Favored Glycine 0 C--N 1.363 2.032 0 C-N-CA 129.127 3.251 . . . . 0.0 117.503 -3.467 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 229' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -154.79 160.74 41.48 Favored 'General case' 0 CA--C 1.614 3.434 0 O-C-N 120.178 -1.778 . . . . 0.0 107.602 174.445 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 230' ' ' SER . . . . . . . . . . . . . 79.1 p -157.59 5.0 0.13 Allowed 'General case' 0 C--O 1.274 2.379 0 CA-C-O 116.193 -1.86 . . . . 0.0 113.298 -162.731 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 231' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.546 2.03 0 C-N-CA 119.099 -1.524 . . . . 0.0 109.948 178.345 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 . . . . . 0 C--O 1.248 0.996 0 CA-C-O 125.025 2.345 . . . . 0.0 113.141 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 4.7 mp0 -84.42 142.42 30.13 Favored 'General case' 0 CA--C 1.551 0.999 0 O-C-N 118.812 -2.43 . . . . 0.0 109.519 -177.572 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' HIS . . . . . . . . . . . . . 50.9 m170 -53.52 -42.21 67.16 Favored 'General case' 0 C--O 1.163 -3.449 0 C-N-CA 127.153 2.181 . . . . 0.0 109.877 -177.119 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -42.41 -45.41 4.35 Favored 'General case' 0 N--CA 1.426 -1.662 0 C-N-CA 131.223 3.809 . . . . 0.0 113.066 167.025 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -92.16 -28.53 17.01 Favored 'General case' 0 N--CA 1.477 0.923 0 O-C-N 118.68 -2.512 . . . . 0.0 115.102 175.602 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.74 -36.57 67.77 Favored 'General case' 0 C--N 1.283 -2.324 0 C-N-CA 127.47 2.308 . . . . 0.0 109.662 -176.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 29.5 m-85 -59.96 -40.7 89.91 Favored 'General case' 0 CA--C 1.575 1.936 0 O-C-N 119.198 -2.189 . . . . 0.0 113.094 174.219 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 45.9 tp -60.29 -42.4 95.4 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 125.163 1.539 . . . . 0.0 114.729 179.314 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -68.36 -39.86 87.36 Favored Glycine 0 CA--C 1.562 3.02 0 CA-C-N 112.893 -1.958 . . . . 0.0 114.38 170.624 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 15.0 tp -67.0 -43.3 83.29 Favored 'General case' 0 CA--C 1.547 0.853 0 CA-C-N 120.571 2.185 . . . . 0.0 110.928 -177.122 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -51.87 -37.13 50.99 Favored 'General case' 0 CA--C 1.596 2.722 0 O-C-N 126.063 2.102 . . . . 0.0 112.453 169.214 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 41.6 tttm -71.57 -26.2 62.52 Favored 'General case' 0 C--N 1.365 1.27 0 CA-C-O 116.872 -1.537 . . . . 0.0 110.208 -177.467 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' CYS . . . . . . . . . . . . . 57.8 m -69.7 -50.57 42.48 Favored 'General case' 0 C--N 1.315 -0.915 0 C-N-CA 130.649 3.58 . . . . 0.0 111.628 173.014 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -51.78 -43.5 63.05 Favored 'General case' 0 N--CA 1.43 -1.475 0 C-N-CA 126.782 2.033 . . . . 0.0 111.391 167.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -68.36 -34.95 77.0 Favored 'General case' 0 CA--C 1.603 2.983 0 O-C-N 118.688 -2.508 . . . . 0.0 112.31 169.255 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 43.4 tp10 -69.44 -26.52 64.63 Favored 'General case' 0 C--N 1.365 1.268 0 CA-C-N 122.987 2.63 . . . . 0.0 113.216 173.339 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 74.6 t -63.77 -43.78 98.05 Favored 'Isoleucine or valine' 0 C--O 1.237 0.428 0 O-C-N 119.9 -1.75 . . . . 0.0 109.331 178.145 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -75.5 -14.86 60.44 Favored 'General case' 0 CA--C 1.599 2.833 0 O-C-N 124.749 1.281 . . . . 0.0 113.422 179.292 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -86.47 -33.5 20.35 Favored 'General case' 0 N--CA 1.394 -3.238 0 O-C-N 120.491 -1.381 . . . . 0.0 109.393 173.719 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 28.6 mm -60.98 -41.24 88.34 Favored 'Isoleucine or valine' 0 N--CA 1.415 -2.182 0 O-C-N 119.906 -1.746 . . . . 0.0 113.266 165.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' GLU . . . . . 0.421 ' CD ' ' HZ2' ' B' ' 129' ' ' LYS . 20.4 tt0 -48.77 -41.38 32.19 Favored 'General case' 0 CA--C 1.466 -2.275 0 C-N-CA 129.148 2.979 . . . . 0.0 115.685 171.021 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 42.4 ttt-85 -73.2 -36.98 66.6 Favored 'General case' 0 N--CA 1.504 2.257 0 N-CA-C 117.531 2.419 . . . . 0.0 117.531 165.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -67.38 -41.04 85.69 Favored 'General case' 0 N--CA 1.492 1.637 0 N-CA-C 114.296 1.221 . . . . 0.0 114.296 177.372 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 29.4 m -73.2 -22.88 19.61 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.941 0 CA-C-N 119.547 1.067 . . . . 0.0 113.227 -174.397 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 73.7 mm-40 -83.33 -37.86 22.83 Favored 'General case' 0 CA--C 1.58 2.098 0 C-N-CA 126.938 2.095 . . . . 0.0 114.547 168.176 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 2.0 tt -54.33 -37.99 65.49 Favored 'General case' 0 CA--C 1.578 2.044 0 O-C-N 117.747 -3.095 . . . . 0.0 110.828 164.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 35' ' ' TYR . . . . . . . . . . . . . 65.9 t80 -68.83 -32.64 72.48 Favored 'General case' 0 CA--C 1.551 0.998 0 O-C-N 120.693 -1.255 . . . . 0.0 113.018 175.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 36' ' ' ARG . . . . . . . . . . . . . 17.8 ttt180 -58.51 -48.7 79.97 Favored 'General case' 0 C--O 1.264 1.829 0 CA-C-O 116.049 -1.929 . . . . 0.0 113.219 164.139 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 12.3 mt -64.17 -31.89 73.26 Favored 'General case' 0 CA--C 1.578 2.045 0 O-C-N 127.55 3.031 . . . . 0.0 109.361 179.125 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 90.0 m-20 -79.69 -52.07 8.42 Favored 'General case' 0 N--CA 1.524 3.238 0 O-C-N 116.634 -3.791 . . . . 0.0 117.301 176.297 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 41.5 tptt -85.29 -39.77 17.33 Favored 'General case' 0 N--CA 1.499 1.985 0 C-N-CA 125.885 1.674 . . . . 0.0 112.042 -165.43 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 21.3 mmm -63.92 -36.71 84.83 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 117.517 -3.239 . . . . 0.0 115.201 170.038 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 54.1 tttm -37.27 -40.98 0.73 Allowed Pre-proline 0 C--O 1.198 -1.64 0 CA-C-O 112.785 -3.483 . . . . 0.0 112.434 -177.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 67.3 Cg_exo -78.0 -26.2 6.78 Favored 'Trans proline' 0 N--CA 1.437 -1.817 1 CA-C-N 129.824 4.544 . . . . 0.0 107.268 -172.413 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 43' ' ' VAL . . . . . 0.438 HG22 ' HA ' ' A' ' 25' ' ' VAL . 35.6 m -86.85 -17.21 9.03 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.618 0 O-C-N 116.921 -3.612 . . . . 0.0 116.382 171.057 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 44' ' ' TYR . . . . . . . . . . . . . 22.0 m-30 -67.35 -49.83 62.41 Favored 'General case' 0 N--CA 1.434 -1.251 0 O-C-N 118.26 -2.775 . . . . 0.0 110.651 160.033 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 61.9 mt-10 -64.84 -47.09 79.21 Favored 'General case' 0 N--CA 1.49 1.539 0 CA-C-O 123.564 1.65 . . . . 0.0 114.092 -178.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 6.6 tttt -53.71 -51.38 63.46 Favored 'General case' 0 C--N 1.356 0.883 0 O-C-N 119.803 -1.81 . . . . 0.0 112.666 170.561 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 51.8 ttp180 -55.0 -48.43 73.35 Favored 'General case' 0 C--O 1.263 1.787 0 O-C-N 125.79 1.931 . . . . 0.0 115.278 174.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -59.53 -46.46 88.79 Favored 'General case' 0 N--CA 1.525 3.28 0 O-C-N 127.241 2.838 . . . . 0.0 111.606 173.516 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.37 -26.54 67.9 Favored 'General case' 0 N--CA 1.429 -1.49 0 C-N-CA 126.813 2.045 . . . . 0.0 113.561 179.635 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 50' ' ' TYR . . . . . . . . . . . . . 31.4 m-85 -82.07 -37.31 26.61 Favored 'General case' 0 CA--C 1.559 1.304 0 C-N-CA 124.263 1.025 . . . . 0.0 109.453 173.699 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 51' ' ' ILE . . . . . 0.431 ' O ' ' HE3' ' B' ' 85' ' ' LYS . 39.4 mt -77.47 -20.13 14.1 Favored 'Isoleucine or valine' 0 C--N 1.374 1.651 0 O-C-N 117.703 -3.123 . . . . 0.0 113.979 176.308 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 63.2 m-20 -76.86 -11.21 59.79 Favored 'General case' 0 C--N 1.374 1.637 0 O-C-N 118.59 -2.569 . . . . 0.0 115.15 159.502 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 21.9 tp10 -109.01 -26.83 9.98 Favored 'General case' 0 N--CA 1.414 -2.253 0 CA-C-N 119.807 1.185 . . . . 0.0 111.706 179.37 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 54' ' ' ILE . . . . . . . . . . . . . 93.0 mt -65.54 133.25 30.92 Favored 'Isoleucine or valine' 0 C--O 1.275 2.425 0 CA-C-O 124.906 2.288 . . . . 0.0 112.276 154.272 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -67.35 -55.8 12.35 Favored 'General case' 0 N--CA 1.429 -1.505 0 O-C-N 120.39 -1.444 . . . . 0.0 107.604 -171.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -148.39 143.53 26.88 Favored 'General case' 0 N--CA 1.501 2.11 0 CA-C-O 123.1 1.429 . . . . 0.0 110.465 177.855 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 57' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -147.6 -50.46 0.18 Allowed 'General case' 0 C--N 1.387 2.211 0 C-N-CA 125.535 1.534 . . . . 0.0 113.561 -163.421 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 58' ' ' TRP . . . . . . . . . . . . . 51.2 m95 -69.01 -32.49 72.06 Favored 'General case' 0 C--N 1.31 -1.123 0 O-C-N 126.666 2.479 . . . . 0.0 117.378 -177.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 14.8 ptpt -71.83 -1.14 13.09 Favored 'General case' 0 C--N 1.283 -2.293 0 O-C-N 126.309 2.256 . . . . 0.0 114.649 169.538 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 48.2 mt -108.22 -44.26 6.67 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.014 0 C-N-CA 130.807 3.643 . . . . 0.0 111.899 168.169 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 61' ' ' VAL . . . . . . . . . . . . 0.316 4.3 m -77.19 -44.99 30.65 Favored 'Isoleucine or valine' 0 C--N 1.396 2.606 1 O-C-N 113.179 -5.951 . . . . 0.0 114.225 -169.865 . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 22.6 mt -66.54 -42.06 87.76 Favored 'General case' 0 N--CA 1.424 -1.738 0 O-C-N 119.405 -2.059 . . . . 0.0 114.714 -160.48 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 69.7 p -62.13 -32.2 72.76 Favored 'General case' 0 N--CA 1.502 2.128 0 O-C-N 124.947 1.404 . . . . 0.0 111.165 -174.425 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 55.4 mt-30 -72.08 -11.61 60.83 Favored 'General case' 0 C--N 1.399 2.724 0 N-CA-C 117.844 2.535 . . . . 0.0 117.844 178.408 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 65' ' ' HIS . . . . . . . . . . . . 0.3 10.9 t-80 -70.31 126.21 28.99 Favored 'General case' 0 N--CA 1.498 1.966 0 CA-C-O 112.532 -3.604 . . . . 0.0 113.975 -172.286 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 5.4 p -51.07 -37.62 17.45 Favored 'Isoleucine or valine' 0 CA--C 1.603 2.999 0 CA-C-N 122.886 2.584 . . . . 0.0 111.757 177.052 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 74.6 m -78.22 -16.72 57.58 Favored 'General case' 0 CA--C 1.559 1.293 0 O-C-N 119.197 -2.19 . . . . 0.0 110.736 177.132 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 68' ' ' PHE . . . . . . . . . . . . . 7.4 t80 -71.68 -15.94 62.23 Favored 'General case' 0 C--O 1.179 -2.647 0 CA-C-N 123.966 3.076 . . . . 0.0 111.797 -178.673 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -49.12 -39.41 28.34 Favored 'General case' 0 N--CA 1.426 -1.651 0 C-N-CA 130.551 3.54 . . . . 0.0 115.128 161.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 51.5 m-20 -74.79 -24.24 58.63 Favored 'General case' 0 N--CA 1.482 1.172 0 N-CA-C 116.249 1.944 . . . . 0.0 116.249 177.731 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 71' ' ' TYR . . . . . . . . . . . . 0.259 6.7 m-85 -114.66 -54.7 2.55 Favored 'General case' 0 C--O 1.274 2.371 0 N-CA-C 120.477 3.51 . . . . 0.0 120.477 -162.776 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 72' ' ' ILE . . . . . . . . . . . . . 41.0 mm -103.88 132.15 50.96 Favored 'Isoleucine or valine' 1 N--CA 1.558 4.926 0 CA-C-O 115.371 -2.252 . . . . 0.0 115.998 -168.358 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 73' ' ' ARG . . . . . . . . . . . . 0.297 15.9 mtm180 -69.41 141.38 54.12 Favored 'General case' 0 N--CA 1.485 1.308 1 C-N-CA 135.183 5.393 . . . . 0.0 117.459 -170.559 . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -40.28 -42.1 1.46 Allowed 'General case' 0 CA--C 1.623 3.773 0 O-C-N 125.594 1.809 . . . . 0.0 111.381 168.183 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 65.6 m -81.59 -25.97 35.32 Favored 'General case' 0 N--CA 1.487 1.383 0 CA-C-O 124.869 2.271 . . . . 0.0 113.434 -168.321 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -82.77 -27.19 31.19 Favored 'General case' 0 C--O 1.186 -2.269 0 C-N-CA 126.514 1.926 . . . . 0.0 115.1 -173.06 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 77' ' ' PHE . . . . . . . . . . . . . 49.1 m-85 -52.54 -29.67 26.59 Favored 'General case' 0 N--CA 1.43 -1.441 0 N-CA-C 116.639 2.088 . . . . 0.0 116.639 175.182 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 78' ' ' LYS . . . . . . . . . . . . . 21.4 ttmt -60.53 -31.57 70.65 Favored 'General case' 0 N--CA 1.5 2.053 0 O-C-N 120.33 -1.481 . . . . 0.0 113.524 171.042 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 79' ' ' TYR . . . . . . . . . . . . . 51.3 m-85 -84.32 -43.37 14.85 Favored 'General case' 0 N--CA 1.493 1.712 0 CA-C-O 115.682 -2.104 . . . . 0.0 109.005 176.483 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 80' ' ' ILE . . . . . . . . . . . . 0.252 1.8 pt -76.93 -18.85 14.56 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.311 0 CA-C-N 123.661 2.937 . . . . 0.0 110.704 -177.267 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 81' ' ' ASP . . . . . . . . . . . . 0.271 39.1 t70 -54.46 -32.44 57.68 Favored 'General case' 0 C--O 1.284 2.88 0 CA-C-N 122.476 2.398 . . . . 0.0 112.029 165.885 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . 0.251 6.5 p -74.62 -7.11 52.16 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 118.147 -2.846 . . . . 0.0 115.517 -177.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 81.9 mt -56.96 108.59 0.25 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.447 0 CA-C-O 126.004 2.812 . . . . 0.0 110.189 169.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 35.0 t0 -66.11 -52.6 47.12 Favored 'General case' 0 CA--C 1.552 1.022 0 O-C-N 119.547 -1.97 . . . . 0.0 114.751 159.103 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 85' ' ' LYS . . . . . 0.431 ' HE3' ' O ' ' B' ' 51' ' ' ILE . 42.8 mmtm -146.77 147.38 30.85 Favored 'General case' 0 N--CA 1.522 3.159 0 C-N-CA 127.045 2.138 . . . . 0.0 115.014 -164.057 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 86' ' ' ILE . . . . . . . . . . . . . 24.2 mt -145.5 126.41 7.58 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 C-N-CA 128.907 2.883 . . . . 0.0 108.369 178.295 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 11.0 mttm -133.65 139.25 46.36 Favored 'General case' 0 C--N 1.297 -1.706 0 O-C-N 120.045 -1.659 . . . . 0.0 114.151 -179.277 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 88' ' ' VAL . . . . . . . . . . . . . 2.5 p -107.96 144.95 15.75 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.752 0 N-CA-C 104.283 -2.488 . . . . 0.0 104.283 178.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 42.2 tp10 -158.66 132.79 7.83 Favored 'General case' 0 N--CA 1.48 1.036 1 CA-C-O 129.431 4.443 . . . . 0.0 107.571 -164.834 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 18.3 m-90 -100.63 159.96 14.74 Favored 'General case' 0 C--O 1.246 0.884 1 O-C-N 115.486 -4.508 . . . . 0.0 114.386 -178.516 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 1.3 mp -126.33 -25.8 3.44 Favored 'General case' 0 C--N 1.375 1.692 0 C-N-CA 125.468 1.507 . . . . 0.0 113.091 -166.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 92' ' ' ALA . . . . . . . . . . . . . . . -65.6 -29.82 70.46 Favored 'General case' 0 CA--C 1.57 1.713 0 N-CA-C 117.038 2.236 . . . . 0.0 117.038 -163.457 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 92.1 mt -79.71 -15.64 57.16 Favored 'General case' 0 N--CA 1.526 3.356 0 N-CA-C 115.618 1.71 . . . . 0.0 115.618 164.5 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -94.19 -14.42 25.62 Favored 'General case' 0 N--CA 1.488 1.469 1 O-C-N 116.219 -4.05 . . . . 0.0 115.349 171.019 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 95' ' ' SER . . . . . . . . . . . . 0.291 7.8 t -151.75 133.55 14.89 Favored 'General case' 0 N--CA 1.495 1.793 0 C-N-CA 126.317 1.847 . . . . 0.0 113.958 -170.146 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -68.44 -21.55 64.65 Favored 'General case' 0 C--N 1.4 2.767 0 O-C-N 118.108 -2.87 . . . . 0.0 113.611 173.229 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 97' ' ' MET . . . . . . . . . . . . . 16.8 tpp -70.94 -16.18 62.64 Favored 'General case' 0 N--CA 1.5 2.075 0 N-CA-C 118.844 2.905 . . . . 0.0 118.844 -170.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 98' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -125.57 139.56 53.49 Favored 'General case' 0 C--O 1.198 -1.634 0 C-N-CA 127.562 2.345 . . . . 0.0 111.763 -171.228 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 99' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -73.82 152.51 40.25 Favored 'General case' 0 C--O 1.266 1.955 0 C-N-CA 129.336 3.054 . . . . 0.0 109.929 175.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 100' ' ' THR . . . . . . . . . . . . . 58.3 p -66.18 -24.36 66.62 Favored 'General case' 0 N--CA 1.486 1.336 0 O-C-N 117.267 -3.395 . . . . 0.0 109.463 175.42 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 101' ' ' ARG . . . . . . . . . . . . . 89.7 mtm180 -80.88 -1.28 42.7 Favored 'General case' 0 C--O 1.18 -2.554 0 CA-C-O 113.35 -3.214 . . . . 0.0 116.069 169.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 66.2 m-20 -97.2 161.34 13.85 Favored 'General case' 0 C--O 1.289 3.139 0 O-C-N 126.722 2.514 . . . . 0.0 112.904 164.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 103' ' ' PHE . . . . . . . . . . . . . 22.8 p90 -156.27 161.67 40.2 Favored 'General case' 1 CA--C 1.63 4.052 0 O-C-N 119.452 -2.03 . . . . 0.0 112.56 -173.027 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 104' ' ' SER . . . . . . . . . . . . . 11.6 p -127.9 153.01 47.15 Favored 'General case' 0 C--O 1.255 1.355 0 O-C-N 121.3 -0.875 . . . . 0.0 112.484 168.439 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 105' ' ' ILE . . . . . . . . . . . . . 48.8 mt -125.38 143.04 40.32 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 170.523 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 56.2 m -114.9 132.45 56.53 Favored 'General case' 0 N--CA 1.53 3.57 1 C-N-CA 133.981 4.913 . . . . 0.0 105.407 -175.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 107' ' ' PHE . . . . . . . . . . . . . 27.7 m-85 -116.7 154.33 30.79 Favored 'General case' 0 C--O 1.181 -2.502 0 CA-C-O 115.293 -2.289 . . . . 0.0 111.365 166.241 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 108' ' ' HIS . . . . . . . . . . . . 0.252 85.9 t60 -136.22 111.18 8.85 Favored 'General case' 0 C--N 1.359 0.991 0 O-C-N 125.713 1.883 . . . . 0.0 113.772 167.078 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 109' ' ' PHE . . . . . . . . . . . . 0.259 1.3 m-85 -101.39 129.1 47.34 Favored 'General case' 0 CA--C 1.567 1.629 0 C-N-CA 128.144 2.578 . . . . 0.0 109.394 -174.556 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 110' ' ' HIS . . . . . . . . . . . . . 61.0 m170 -72.37 -18.36 61.75 Favored 'General case' 0 C--N 1.307 -1.24 0 O-C-N 116.809 -3.682 . . . . 0.0 117.428 165.67 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 111' ' ' GLY . . . . . . . . . . . . . . . 84.25 170.35 46.66 Favored Glycine 0 C--O 1.208 -1.521 0 O-C-N 117.315 -3.366 . . . . 0.0 116.898 169.468 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 112' ' ' ILE . . . . . . . . . . . . . 2.3 mt -110.78 124.11 67.28 Favored 'Isoleucine or valine' 0 CA--C 1.577 2.0 0 CA-C-O 125.262 2.458 . . . . 0.0 111.051 162.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 113' ' ' GLU . . . . . . . . . . . . 0.266 38.0 tt0 -61.31 116.07 4.34 Favored 'General case' 0 N--CA 1.409 -2.484 0 CA-C-N 112.948 -1.933 . . . . 0.0 112.597 -177.641 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 114' ' ' GLY . . . . . . . . . . . . . . . 78.49 23.43 65.13 Favored Glycine 1 N--CA 1.516 4.01 0 CA-C-O 115.419 -2.878 . . . . 0.0 111.316 -179.457 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 31.6 t0 -144.61 -56.63 0.35 Allowed 'General case' 0 C--N 1.307 -1.246 0 O-C-N 127.072 2.278 . . . . 0.0 112.585 -175.347 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 116' ' ' PHE . . . . . . . . . . . . . 19.7 t80 -144.29 114.91 7.67 Favored 'General case' 0 C--O 1.272 2.253 0 CA-C-O 116.166 -1.873 . . . . 0.0 108.674 -168.046 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 82.7 tttt -65.08 152.4 43.6 Favored 'General case' 0 CA--C 1.487 -1.457 0 CA-C-N 120.455 1.479 . . . . 0.0 114.599 -168.413 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 49.8 tt0 -69.07 117.75 11.12 Favored 'General case' 0 N--CA 1.491 1.609 0 CA-C-N 115.406 -0.815 . . . . 0.0 111.651 168.264 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 119' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -144.97 139.87 27.82 Favored 'General case' 0 C--O 1.212 -0.883 0 N-CA-C 120.95 3.685 . . . . 0.0 120.95 -173.181 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -98.33 133.47 42.69 Favored 'General case' 0 CA--C 1.559 1.317 1 O-C-N 114.76 -4.962 . . . . 0.0 108.48 161.349 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 20.6 t -142.94 142.45 26.1 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.787 0 C-N-CA 131.587 3.955 . . . . 0.0 108.09 -172.404 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 122' ' ' THR . . . . . . . . . . . . . 89.5 m -128.36 132.52 48.56 Favored 'General case' 0 C--N 1.365 1.266 0 C-N-CA 128.086 2.554 . . . . 0.0 110.414 171.214 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 123' ' ' LYS . . . . . . . . . . . . . 58.8 tttp -117.94 130.74 56.4 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 118.548 -2.595 . . . . 0.0 106.83 172.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 124' ' ' VAL . . . . . . . . . . . . . 2.4 p -96.77 151.64 4.08 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.96 0 N-CA-C 116.404 2.002 . . . . 0.0 116.404 166.403 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 125' ' ' PHE . . . . . . . . . . . . . 34.0 m-85 -135.52 140.3 44.64 Favored 'General case' 0 CA--C 1.479 -1.781 1 C-N-CA 132.738 4.415 . . . . 0.0 110.328 -169.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 126' ' ' GLN . . . . . . . . . . . . . 38.2 mt-30 -150.99 141.24 22.29 Favored 'General case' 0 N--CA 1.503 2.2 0 C-N-CA 127.566 2.346 . . . . 0.0 110.48 -176.452 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 127' ' ' ILE . . . . . . . . . . . . 0.355 6.6 tp -92.52 136.84 23.67 Favored 'Isoleucine or valine' 0 C--N 1.36 1.044 0 CA-C-N 112.705 -2.043 . . . . 0.0 114.746 -175.202 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -115.82 160.87 19.58 Favored 'General case' 0 C--N 1.378 1.812 0 O-C-N 124.527 1.142 . . . . 0.0 111.632 177.127 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 129' ' ' LYS . . . . . 0.421 ' HZ2' ' CD ' ' B' ' 29' ' ' GLU . 32.6 mtpt -156.15 169.36 24.68 Favored 'General case' 0 N--CA 1.506 2.326 0 O-C-N 119.552 -1.968 . . . . 0.0 107.429 -170.832 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 130' ' ' GLY . . . . . . . . . . . . . . . -65.69 118.8 12.17 Favored Glycine 0 CA--C 1.54 1.642 1 O-C-N 115.545 -4.472 . . . . 0.0 106.833 162.865 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 49.3 tptt -151.81 111.02 3.91 Favored 'General case' 0 C--O 1.211 -0.954 0 N-CA-C 105.344 -2.095 . . . . 0.0 105.344 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 47.58 -54.54 0.0 OUTLIER 'General case' 0 C--N 1.352 0.716 0 C-N-CA 130.639 3.576 . . . . 0.0 115.067 -150.574 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 133' ' ' ASP . . . . . . . . . . . . . 41.9 m-20 -87.08 116.05 24.88 Favored 'General case' 0 N--CA 1.532 3.629 0 O-C-N 127.173 2.796 . . . . 0.0 109.976 167.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 134' ' ' GLN . . . . . . . . . . . . 0.325 18.6 tp60 -82.57 42.91 0.79 Allowed 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 131.455 3.902 . . . . 0.0 110.026 -170.019 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 135' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -68.33 141.4 55.82 Favored 'General case' 0 C--O 1.267 1.987 0 CA-C-O 122.494 1.14 . . . . 0.0 109.008 169.67 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 136' ' ' ASP . . . . . . . . . . . . . 37.1 t0 -53.49 130.58 36.18 Favored 'General case' 0 C--N 1.313 -0.993 0 C-N-CA 126.623 1.969 . . . . 0.0 111.18 -172.348 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 137' ' ' GLY . . . . . . . . . . . . . . . -57.72 115.57 6.98 Favored Glycine 0 N--CA 1.484 1.896 0 CA-C-N 112.86 -1.973 . . . . 0.0 112.233 176.536 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 138' ' ' ILE . . . . . . . . . . . . . 43.3 pt -144.02 152.57 15.83 Favored 'Isoleucine or valine' 0 C--N 1.38 1.898 0 O-C-N 121.371 -1.076 . . . . 0.0 112.327 179.654 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 139' ' ' LEU . . . . . . . . . . . . . 14.5 tp -80.73 139.53 36.06 Favored 'General case' 0 CA--C 1.586 2.359 0 N-CA-C 117.672 2.471 . . . . 0.0 117.672 162.325 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 140' ' ' THR . . . . . . . . . . . . . 30.6 p -145.61 169.69 17.93 Favored 'General case' 0 C--O 1.262 1.724 0 CA-C-O 126.32 2.962 . . . . 0.0 111.51 -172.12 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 141' ' ' SER . . . . . . . . . . . . . 28.9 t -159.14 171.9 19.1 Favored 'General case' 0 C--N 1.307 -1.249 0 CA-C-O 126.873 3.225 . . . . 0.0 104.878 -165.284 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 142' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -111.09 147.23 36.15 Favored Pre-proline 0 CA--C 1.555 1.153 0 O-C-N 117.099 -3.501 . . . . 0.0 106.944 174.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 143' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_endo -64.79 140.71 68.62 Favored 'Trans proline' 0 N--CA 1.4 -3.995 0 C-N-CA 124.888 3.725 . . . . 0.0 112.423 172.271 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 144' ' ' VAL . . . . . . . . . . . . . 21.6 t -115.28 135.44 22.55 Favored Pre-proline 0 N--CA 1.496 1.855 0 CA-C-N 113.718 -1.583 . . . . 0.0 110.225 179.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 145' ' ' PRO . . . . . . . . . . . . . 27.0 Cg_endo -63.69 121.47 9.23 Favored 'Trans proline' 0 N--CA 1.506 2.22 0 C-N-CA 123.675 2.917 . . . . 0.0 115.118 165.161 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 146' ' ' ILE . . . . . . . . . . . . . 4.5 tt -132.98 142.62 41.75 Favored 'Isoleucine or valine' 0 C--N 1.364 1.221 0 C-N-CA 124.559 1.144 . . . . 0.0 111.492 -177.055 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 147' ' ' GLU . . . . . . . . . . . . 0.274 62.8 mm-40 -83.41 101.89 11.66 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 116.643 -2.023 . . . . 0.0 114.756 169.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 148' ' ' TRP . . . . . . . . . . . . . 5.4 m95 -60.54 157.23 38.02 Favored Pre-proline 0 N--CA 1.527 3.392 0 CA-C-O 114.513 -2.661 . . . . 0.0 116.722 178.069 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 149' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -62.64 142.95 91.57 Favored 'Trans proline' 0 C--N 1.388 2.641 0 C-N-CA 124.222 3.281 . . . . 0.0 107.45 175.075 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -63.12 -39.54 95.0 Favored 'General case' 0 N--CA 1.482 1.155 0 CA-C-O 122.711 1.243 . . . . 0.0 113.347 162.692 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 151' ' ' SER . . . . . . . . . . . . . 18.9 m -56.61 -15.18 3.96 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 118.505 -2.622 . . . . 0.0 116.683 169.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 152' ' ' TYR . . . . . . . . . . . . . 3.9 m-30 -104.65 6.74 34.59 Favored 'General case' 0 C--N 1.356 0.875 0 O-C-N 119.966 -1.709 . . . . 0.0 110.634 -172.394 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 153' ' ' ASP . . . . . . . . . . . . . 52.6 p-10 -58.8 -13.92 7.43 Favored 'General case' 1 N--CA 1.549 4.479 0 N-CA-C 117.04 2.237 . . . . 0.0 117.04 179.454 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 154' ' ' SER . . . . . . . . . . . . . 20.2 p -75.47 -15.32 60.43 Favored 'General case' 0 N--CA 1.523 3.201 0 C-N-CA 130.243 3.417 . . . . 0.0 114.493 168.051 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 155' ' ' ILE . . . . . . . . . . . . 0.266 3.2 pt -135.71 -12.24 0.82 Allowed 'Isoleucine or valine' 0 C--O 1.268 2.042 0 CA-C-O 117.405 -1.283 . . . . 0.0 112.963 -177.5 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 156' ' ' ASN . . . . . . . . . . . . . 49.3 t-20 -57.61 111.32 3.3 Favored Pre-proline 0 C--N 1.369 1.425 0 CA-C-O 115.704 -2.093 . . . . 0.0 108.404 168.521 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 157' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_exo -47.14 -38.74 25.48 Favored 'Trans proline' 0 N--CA 1.434 -1.982 0 N-CA-C 116.249 1.596 . . . . 0.0 116.249 -175.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -65.19 -16.81 63.92 Favored 'General case' 0 CA--C 1.558 1.261 0 C-N-CA 127.858 2.463 . . . . 0.0 114.985 -179.237 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 159' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -107.04 -6.09 17.67 Favored 'General case' 0 C--N 1.32 -0.676 0 C-N-CA 126.398 1.879 . . . . 0.0 115.178 173.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 160' ' ' ILE . . . . . . . . . . . . . 17.0 mm -54.59 121.19 2.79 Favored 'Isoleucine or valine' 0 C--O 1.253 1.259 0 O-C-N 119.661 -1.899 . . . . 0.0 111.825 167.025 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 161' ' ' LYS . . . . . . . . . . . . . 77.6 tttt -64.85 -42.7 94.68 Favored 'General case' 0 N--CA 1.479 1.011 0 CA-C-O 127.669 3.604 . . . . 0.0 115.362 179.471 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 162' ' ' ASP . . . . . . . . . . . . . 51.0 t0 -150.68 106.1 3.37 Favored 'General case' 0 N--CA 1.486 1.355 0 CA-C-N 110.401 -3.09 . . . . 0.0 113.519 -178.256 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 163' ' ' LYS . . . . . . . . . . . . . 34.2 mtmm -76.69 5.84 6.94 Favored 'General case' 0 CA--C 1.547 0.844 0 N-CA-C 117.676 2.473 . . . . 0.0 117.676 178.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 164' ' ' ARG . . . . . . . . . . . . . 12.6 mtm180 -80.53 -28.57 37.31 Favored 'General case' 0 C--O 1.194 -1.823 0 N-CA-C 117.308 2.336 . . . . 0.0 117.308 167.365 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 2.6 t -60.12 148.79 77.25 Favored Pre-proline 0 CA--C 1.62 3.658 0 N-CA-C 115.671 1.73 . . . . 0.0 115.671 -171.142 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 166' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_exo -62.04 -17.89 58.59 Favored 'Trans proline' 0 N--CA 1.514 2.684 0 C-N-CA 123.694 2.929 . . . . 0.0 113.181 170.188 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 167' ' ' GLU . . . . . . . . . . . . . 62.8 mm-40 -101.16 -41.34 6.77 Favored 'General case' 0 C--O 1.202 -1.415 0 C-N-CA 126.514 1.926 . . . . 0.0 112.844 170.369 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 168' ' ' GLY . . . . . . . . . . . . . . . -65.53 -40.68 96.25 Favored Glycine 0 N--CA 1.482 1.76 0 CA-C-O 124.447 2.137 . . . . 0.0 114.024 -179.423 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 169' ' ' LYS . . . . . . . . . . . . . 16.9 ttmt -81.82 -29.15 32.77 Favored 'General case' 0 CA--C 1.61 3.272 1 O-C-N 115.487 -4.537 . . . . 0.0 109.548 -179.744 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 41.9 tttp -66.86 -45.68 77.39 Favored 'General case' 0 N--CA 1.419 -1.977 0 CA-C-O 115.188 -2.339 . . . . 0.0 111.962 168.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 171' ' ' LYS . . . . . . . . . . . . . 75.0 mttt -57.61 -40.02 78.18 Favored 'General case' 0 N--CA 1.516 2.843 0 CA-C-N 122.208 2.276 . . . . 0.0 111.238 173.336 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 172' ' ' TYR . . . . . . . . . . . . . 25.9 t80 -60.77 -48.06 83.49 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 118.794 -2.441 . . . . 0.0 115.893 166.603 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 173' ' ' ARG . . . . . . . . . . . . 0.286 57.0 mtt180 -60.9 -28.15 68.7 Favored 'General case' 0 C--N 1.362 1.117 0 O-C-N 127.402 2.939 . . . . 0.0 114.834 171.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 174' ' ' GLN . . . . . . . . . . . . . 85.1 mt-30 -72.44 -57.53 4.1 Favored 'General case' 0 C--N 1.363 1.181 0 O-C-N 118.813 -2.429 . . . . 0.0 109.836 171.633 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 175' ' ' GLY . . . . . . . . . . . . . . . -54.2 -41.88 71.32 Favored Glycine 0 C--O 1.252 1.232 0 C-N-CA 127.062 2.268 . . . . 0.0 112.68 -177.573 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 176' ' ' MET . . . . . . . . . . . . . 12.1 ptp -68.02 -23.76 65.03 Favored 'General case' 0 CA--C 1.593 2.622 0 N-CA-C 115.839 1.792 . . . . 0.0 115.839 178.021 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 177' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -77.99 -10.96 59.85 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 127.937 2.495 . . . . 0.0 114.37 174.721 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 178' ' ' THR . . . . . . . . . . . . . 68.9 p -65.33 165.9 10.94 Favored 'General case' 0 N--CA 1.504 2.232 0 O-C-N 119.599 -1.938 . . . . 0.0 109.724 177.384 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 179' ' ' ILE . . . . . . . . . . . . . 8.7 tp -59.2 -31.18 45.51 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.391 0 CA-C-N 112.584 -2.098 . . . . 0.0 111.726 165.181 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 180' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -72.57 -34.41 67.46 Favored 'General case' 0 C--O 1.266 1.969 0 CA-C-N 121.053 1.751 . . . . 0.0 114.136 176.434 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 181' ' ' GLY . . . . . . . . . . . . . . . -71.0 -29.43 69.04 Favored Glycine 1 CA--C 1.582 4.262 0 N-CA-C 110.159 -1.176 . . . . 0.0 110.159 171.576 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 182' ' ' TRP . . . . . 0.441 ' CD1' HD22 ' B' ' 200' ' ' LEU . 74.1 t90 -58.61 -42.22 87.68 Favored 'General case' 0 C--N 1.368 1.391 0 O-C-N 120.36 -1.671 . . . . 0.0 113.169 164.529 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 183' ' ' PHE . . . . . . . . . . . . . 84.9 m-85 -55.2 -48.65 73.53 Favored 'General case' 0 C--N 1.321 -0.637 0 O-C-N 116.706 -3.746 . . . . 0.0 117.319 167.358 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 184' ' ' ARG . . . . . . . . . . . . . 17.9 ttm180 -58.49 -3.39 0.28 Allowed 'General case' 0 C--N 1.402 2.855 0 N-CA-C 121.03 3.715 . . . . 0.0 121.03 155.201 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 185' ' ' TRP . . . . . . . . . . . . . 73.9 t90 -68.08 148.6 50.74 Favored 'General case' 0 N--CA 1.407 -2.617 0 CA-C-N 123.686 2.948 . . . . 0.0 114.032 -179.595 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 186' ' ' THR . . . . . . . . . . . . . 61.2 p -133.53 -25.84 1.67 Allowed 'General case' 0 CA--C 1.565 1.541 0 C-N-CA 126.206 1.803 . . . . 0.0 115.33 -177.12 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 187' ' ' GLY . . . . . . . . . . . . . . . 98.54 -6.24 60.85 Favored Glycine 0 CA--C 1.546 2.027 0 C-N-CA 128.354 2.883 . . . . 0.0 110.861 179.018 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 188' ' ' LEU . . . . . . . . . . . . . 43.7 mt -112.47 3.72 17.02 Favored 'General case' 0 N--CA 1.511 2.604 0 CA-C-O 113.39 -3.195 . . . . 0.0 112.684 -160.419 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 189' ' ' LYS . . . . . . . . . . . . . 36.5 mttt -119.86 77.82 22.71 Favored Pre-proline 0 C--O 1.206 -1.216 0 O-C-N 126.051 2.094 . . . . 0.0 110.967 -174.032 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 190' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -46.55 115.48 1.22 Allowed 'Trans proline' 0 C--N 1.385 2.466 0 C-N-CA 124.419 3.412 . . . . 0.0 115.196 -179.148 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 191' ' ' GLY . . . . . . . . . . . . . . . 71.5 -0.14 35.73 Favored Glycine 1 CA--C 1.583 4.31 0 CA-C-N 113.856 -1.52 . . . . 0.0 113.38 -179.177 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 192' ' ' LYS . . . . . . . . . . . . . 28.7 mmtp -113.48 16.93 18.71 Favored 'General case' 0 CA--C 1.564 1.483 0 O-C-N 117.471 -3.37 . . . . 0.0 116.758 -175.664 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 193' ' ' GLU . . . . . . . . . . . . . 21.5 pt-20 -158.61 176.53 12.27 Favored 'General case' 0 CA--C 1.489 -1.394 0 C-N-CA 128.562 2.745 . . . . 0.0 110.296 177.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 194' ' ' PHE . . . . . . . . . . . . . 36.3 t80 -49.75 118.25 8.29 Favored Pre-proline 0 C--O 1.198 -1.636 0 C-N-CA 126.937 2.095 . . . . 0.0 115.792 179.642 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 195' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo -73.96 138.07 25.21 Favored 'Trans proline' 0 C--O 1.252 1.191 0 CA-C-N 115.207 -0.676 . . . . 0.0 113.792 -172.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 196' ' ' HIS . . . . . . . . . . . . . 58.9 m-70 62.6 29.04 16.91 Favored 'General case' 0 CA--C 1.547 0.83 0 N-CA-C 115.404 1.631 . . . . 0.0 115.404 -177.343 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 197' ' ' GLY . . . . . . . . . . . . . . . -74.44 -26.74 67.15 Favored Glycine 0 C--N 1.383 3.165 0 CA-C-N 115.027 -0.988 . . . . 0.0 111.441 -168.415 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 198' ' ' ASP . . . . . . . . . . . . . 22.1 p-10 -59.13 -40.22 84.79 Favored 'General case' 0 CA--C 1.558 1.259 0 C-N-CA 124.586 1.155 . . . . 0.0 110.608 169.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 199' ' ' SER . . . . . . . . . . . . . 54.7 m -79.68 -19.96 47.73 Favored 'General case' 0 C--O 1.255 1.37 0 C-N-CA 118.707 -1.197 . . . . 0.0 109.14 -173.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 200' ' ' LEU . . . . . 0.441 HD22 ' CD1' ' B' ' 182' ' ' TRP 0.307 66.4 tp -69.56 -25.97 64.26 Favored 'General case' 0 N--CA 1.402 -2.855 0 O-C-N 119.064 -2.273 . . . . 0.0 114.5 161.646 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 201' ' ' ALA . . . . . . . . . . . . . . . -67.24 -45.16 77.57 Favored 'General case' 0 N--CA 1.415 -2.201 0 CA-C-N 121.01 1.732 . . . . 0.0 111.018 172.562 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 202' ' ' SER . . . . . . . . . . . . . 33.4 t -62.42 -34.05 76.0 Favored 'General case' 0 N--CA 1.513 2.69 0 N-CA-C 115.607 1.706 . . . . 0.0 115.607 171.735 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 203' ' ' LEU . . . . . . . . . . . . 0.27 6.0 tt -69.78 -54.1 15.24 Favored 'General case' 0 C--N 1.297 -1.703 0 O-C-N 120.266 -1.521 . . . . 0.0 107.214 -173.456 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 204' ' ' PHE . . . . . . . . . . . . . 75.8 m-85 -57.03 -28.76 62.8 Favored 'General case' 0 N--CA 1.523 3.219 0 N-CA-C 116.461 2.023 . . . . 0.0 116.461 178.098 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 205' ' ' SER . . . . . . . . . . . . . 25.5 p -98.71 -24.98 14.83 Favored 'General case' 0 N--CA 1.489 1.5 0 N-CA-C 114.675 1.361 . . . . 0.0 114.675 -169.522 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 206' ' ' GLU . . . . . . . . . . . . . 13.2 tp10 -149.77 -54.51 0.17 Allowed 'General case' 0 CA--C 1.457 -2.623 0 CA-C-O 116.435 -1.745 . . . . 0.0 109.289 -159.522 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 207' ' ' GLU . . . . . . . . . . . . . 45.1 tt0 -77.28 -15.46 59.43 Favored 'General case' 0 N--CA 1.494 1.769 0 CA-C-N 120.225 1.375 . . . . 0.0 114.622 -172.66 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 208' ' ' ILE . . . . . . . . . . . . 0.263 10.6 tp -70.48 -39.59 76.44 Favored 'Isoleucine or valine' 0 C--N 1.367 1.336 0 O-C-N 118.25 -2.781 . . . . 0.0 114.585 171.399 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 209' ' ' TYR . . . . . . . . . . . . . 41.8 m-85 -71.07 -38.2 6.8 Favored Pre-proline 1 CA--C 1.631 4.089 1 O-C-N 115.434 -4.542 . . . . 0.0 113.041 -164.939 . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' B' B ' 210' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_exo -52.36 -24.5 21.56 Favored 'Trans proline' 0 N--CA 1.408 -3.532 1 C-N-CA 126.332 4.688 . . . . 0.0 117.446 169.092 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 211' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -124.8 -16.16 6.25 Favored 'General case' 0 C--O 1.252 1.223 0 N-CA-C 119.135 3.013 . . . . 0.0 119.135 178.41 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 212' ' ' CYS . . . . . . . . . . . . . 30.7 p -58.1 -35.11 70.95 Favored 'General case' 0 C--N 1.381 1.965 0 CA-C-O 114.587 -2.625 . . . . 0.0 109.624 -166.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 213' ' ' VAL . . . . . . . . . . . . . 23.1 t -76.84 -38.51 29.4 Favored 'Isoleucine or valine' 0 CA--C 1.578 2.028 0 CA-C-O 116.094 -1.908 . . . . 0.0 108.643 -178.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 214' ' ' LYS . . . . . . . . . . . . . 80.1 mttt -46.94 -49.82 19.95 Favored 'General case' 0 N--CA 1.495 1.82 0 CA-C-N 122.837 2.562 . . . . 0.0 110.381 162.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 215' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 -66.69 -46.81 74.4 Favored 'General case' 0 C--O 1.244 0.766 0 O-C-N 127.294 2.871 . . . . 0.0 114.223 -177.493 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 216' ' ' TYR . . . . . . . . . . . . . 26.5 t80 -53.74 -51.45 63.3 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 119.961 -1.712 . . . . 0.0 113.815 169.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 217' ' ' ALA . . . . . . . . . . . . . . . -62.59 -27.44 69.19 Favored 'General case' 0 C--N 1.368 1.38 0 N-CA-C 114.716 1.376 . . . . 0.0 114.716 172.042 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 218' ' ' GLU . . . . . . . . . . . . . 29.6 tp10 -72.06 -42.33 66.37 Favored 'General case' 0 N--CA 1.489 1.48 0 CA-C-O 123.085 1.422 . . . . 0.0 110.592 -178.36 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 219' ' ' ALA . . . . . . . . . . . . 0.258 . . -67.28 -23.24 65.65 Favored 'General case' 0 N--CA 1.495 1.807 0 N-CA-C 116.222 1.934 . . . . 0.0 116.222 169.883 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 220' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.25 -17.36 60.34 Favored 'General case' 0 CA--C 1.6 2.878 0 N-CA-C 117.238 2.31 . . . . 0.0 117.238 163.59 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 221' ' ' ARG . . . . . . . . . . . . . 31.1 ttp85 -63.39 129.65 41.12 Favored 'General case' 0 C--N 1.32 -0.705 0 C-N-CA 125.293 1.437 . . . . 0.0 112.121 178.322 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 222' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -107.94 -19.87 13.37 Favored 'General case' 0 N--CA 1.529 3.506 0 O-C-N 120.553 -1.342 . . . . 0.0 110.431 176.665 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 223' ' ' LEU . . . . . . . . . . . . . 52.7 mt -61.44 164.25 5.9 Favored 'General case' 0 CA--C 1.561 1.397 0 O-C-N 119.787 -1.82 . . . . 0.0 108.753 174.655 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 224' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -128.85 141.29 51.34 Favored 'General case' 0 CA--C 1.594 2.66 0 C-N-CA 129.681 3.193 . . . . 0.0 114.276 -175.535 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 225' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 . . . . . 0 CA--C 1.565 1.549 0 CA-C-O 123.24 1.495 . . . . 0.0 113.106 -176.111 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.567 3.291 0 CA-C-O 116.996 -2.002 . . . . 0.0 112.002 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' -4' ' ' MET . . . . . . . . . . . . . 95.8 mtp 49.25 43.35 22.84 Favored 'General case' 0 N--CA 1.518 2.956 0 CA-C-O 126.693 3.139 . . . . 0.0 114.252 175.252 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' -3' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -66.06 135.29 95.12 Favored Pre-proline 0 CA--C 1.561 1.376 0 O-C-N 118.267 -2.77 . . . . 0.0 107.869 179.403 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' -2' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -71.2 -32.14 13.39 Favored 'Trans proline' 0 C--O 1.188 -2.023 1 C-N-CA 126.054 4.503 . . . . 0.0 114.037 -176.548 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' -1' ' ' ASN . . . . . . . . . . . . . 41.2 m-80 -83.99 -0.14 50.39 Favored 'General case' 0 N--CA 1.491 1.62 0 CA-C-N 121.054 1.752 . . . . 0.0 110.429 176.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 0' ' ' SER . . . . . . . . . . . . . 5.2 t -101.8 142.03 33.74 Favored 'General case' 0 N--CA 1.509 2.492 0 O-C-N 119.15 -2.219 . . . . 0.0 115.455 173.572 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . 0.286 92.4 mtp -62.71 115.85 4.68 Favored 'General case' 0 CA--C 1.556 1.21 0 N-CA-C 116.983 2.216 . . . . 0.0 116.983 176.075 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 2' ' ' SER . . . . . . . . . . . . . 79.8 p -69.69 160.02 32.4 Favored 'General case' 0 C--O 1.282 2.781 0 O-C-N 120.16 -1.587 . . . . 0.0 107.744 163.652 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 3' ' ' LEU . . . . . . . . . . . . . 13.7 tp -65.22 -19.59 66.04 Favored 'General case' 0 N--CA 1.412 -2.365 0 N-CA-C 118.118 2.636 . . . . 0.0 118.118 167.327 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 4' ' ' ASN . . . . . . . . . . . . . 41.0 m-20 -70.93 -43.49 68.11 Favored 'General case' 0 N--CA 1.438 -1.072 0 CA-C-O 117.443 -1.265 . . . . 0.0 110.647 169.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 5' ' ' ASP . . . . . . . . . . . . . 38.4 m-20 -63.39 -32.27 73.66 Favored 'General case' 0 CA--C 1.505 -0.753 0 CA-C-N 123.451 2.841 . . . . 0.0 113.729 175.433 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 6' ' ' PHE . . . . . . . . . . . . . 72.4 m-85 -62.8 -64.92 0.77 Allowed 'General case' 0 C--O 1.281 2.76 1 O-C-N 113.73 -5.606 . . . . 0.0 111.103 163.06 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 54.2 tp -64.64 -35.68 81.81 Favored 'General case' 0 N--CA 1.514 2.731 0 C-N-CA 125.275 1.43 . . . . 0.0 111.464 -162.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 87.9 p -70.58 -16.37 62.85 Favored 'General case' 0 C--N 1.313 -1.006 0 O-C-N 120.562 -1.336 . . . . 0.0 110.859 179.19 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 9' ' ' SER . . . . . . . . . . . . . 53.6 m -80.47 -13.31 59.22 Favored 'General case' 0 C--O 1.305 3.985 0 CA-C-O 115.128 -2.367 . . . . 0.0 113.019 -175.264 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 3.8 m -108.26 -13.19 10.47 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.268 0 CA-C-N 122.583 2.447 . . . . 0.0 114.395 172.057 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 43.5 mt -71.4 152.3 94.11 Favored Pre-proline 0 N--CA 1.491 1.617 0 CA-C-O 113.752 -3.023 . . . . 0.0 111.586 177.543 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 12' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_exo -59.0 143.63 99.72 Favored 'Trans proline' 0 C--O 1.286 2.919 1 C-N-CA 127.153 5.236 . . . . 0.0 111.137 179.654 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 13' ' ' VAL . . . . . . . . . . . . . 4.5 p -75.57 137.14 23.46 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.344 0 CA-C-O 123.766 1.746 . . . . 0.0 108.66 -164.221 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 14' ' ' SER . . . . . . . . . . . . . 6.4 p 57.91 -15.47 0.02 OUTLIER 'General case' 0 CA--C 1.602 2.978 0 C-N-CA 131.531 3.933 . . . . 0.0 113.818 -171.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 28.7 tp10 -60.08 125.93 25.56 Favored 'General case' 0 N--CA 1.501 2.091 1 O-C-N 115.771 -4.33 . . . . 0.0 111.886 164.665 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 -96.67 141.82 29.45 Favored 'General case' 0 CA--C 1.583 2.241 0 O-C-N 118.825 -2.422 . . . . 0.0 117.259 173.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 17' ' ' PHE . . . . . . . . . . . . . 49.3 m-85 -134.85 160.59 37.76 Favored 'General case' 0 N--CA 1.508 2.44 0 C-N-CA 127.832 2.453 . . . . 0.0 108.021 -172.393 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 18' ' ' GLU . . . . . . . . . . . . . 17.5 mp0 -117.15 154.35 31.23 Favored 'General case' 0 CA--C 1.573 1.863 0 CA-C-O 116.344 -1.789 . . . . 0.0 111.397 166.597 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 19' ' ' TYR . . . . . . . . . . . . . 51.6 p90 -150.59 155.98 40.49 Favored 'General case' 0 C--N 1.391 2.376 0 O-C-N 125.505 1.753 . . . . 0.0 115.023 171.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 20' ' ' LEU . . . . . . . . . . . . . 37.6 tp -94.91 132.26 39.93 Favored 'General case' 0 C--N 1.307 -1.24 1 C-N-CA 135.085 5.354 . . . . 0.0 112.534 162.066 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 21' ' ' SER . . . . . . . . . . . . . 17.1 t -137.74 128.77 27.4 Favored 'General case' 1 N--CA 1.542 4.142 0 C-N-CA 127.825 2.45 . . . . 0.0 107.285 169.727 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 22' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -149.08 157.17 43.18 Favored 'General case' 0 N--CA 1.427 -1.575 0 CA-C-O 123.28 1.514 . . . . 0.0 111.97 171.636 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 23' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -147.52 128.48 14.49 Favored 'General case' 0 CA--C 1.605 3.093 0 CA-C-N 112.564 -2.107 . . . . 0.0 111.558 -172.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 24' ' ' SER . . . . . . . . . . . . . 13.4 t -73.53 153.66 40.19 Favored 'General case' 0 CA--C 1.477 -1.864 0 O-C-N 116.341 -3.974 . . . . 0.0 115.16 169.541 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 25' ' ' ILE . . . . . . . . . . . . 0.293 86.9 mt -61.23 143.3 92.76 Favored Pre-proline 0 C--O 1.174 -2.887 0 CA-C-N 110.686 -2.961 . . . . 0.0 113.536 -177.279 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 26' ' ' PRO . . . . . . . . . . . . . 11.3 Cg_endo -69.11 129.79 18.94 Favored 'Trans proline' 0 N--CA 1.517 2.889 0 C-N-CA 124.502 3.468 . . . . 0.0 108.072 -171.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 27' ' ' LEU . . . . . . . . . . . . . 5.4 tp -132.35 141.23 48.84 Favored 'General case' 0 C--O 1.272 2.244 0 C-N-CA 131.274 3.829 . . . . 0.0 112.571 -159.554 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 28' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -60.31 124.98 21.96 Favored 'General case' 0 CA--C 1.476 -1.902 0 C-N-CA 129.15 2.98 . . . . 0.0 118.762 174.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 29' ' ' THR . . . . . . . . . . . . . 6.1 t -136.73 163.99 29.31 Favored 'General case' 0 C--N 1.385 2.132 0 CA-C-N 119.582 1.083 . . . . 0.0 113.822 176.546 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 30' ' ' HIS . . . . . . . . . . . . . 18.1 p-80 -77.87 168.24 20.24 Favored 'General case' 0 CA--C 1.591 2.524 0 CA-C-N 114.893 -1.049 . . . . 0.0 108.275 166.22 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 31' ' ' ALA . . . . . . . . . . . . . . . -51.89 135.55 30.0 Favored 'General case' 0 N--CA 1.499 2.006 0 N-CA-C 116.932 2.197 . . . . 0.0 116.932 176.141 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 32' ' ' VAL . . . . . . . . . . . . . 5.0 p -68.42 -21.45 26.34 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.114 0 C-N-CA 125.233 1.413 . . . . 0.0 113.198 179.429 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 33' ' ' VAL . . . . . . . . . . . . . 9.2 p -131.67 149.19 32.67 Favored 'Isoleucine or valine' 0 CA--C 1.591 2.541 0 O-C-N 118.928 -2.357 . . . . 0.0 110.744 165.489 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 34' ' ' THR . . . . . . . . . . . . . 31.5 m -73.74 121.14 84.45 Favored Pre-proline 0 N--CA 1.521 3.088 0 C-N-CA 118.382 -1.327 . . . . 0.0 111.73 176.658 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 35' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_endo -62.02 150.4 86.59 Favored 'Trans proline' 0 N--CA 1.509 2.414 0 C-N-CA 125.227 3.951 . . . . 0.0 110.41 176.064 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 36' ' ' ASN . . . . . . . . . . . . . 38.0 t-20 -84.09 138.91 32.8 Favored 'General case' 0 C--O 1.195 -1.797 0 O-C-N 118.09 -2.881 . . . . 0.0 107.392 173.531 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 37' ' ' LYS . . . . . . . . . . . . . 36.8 mttp -54.01 -32.72 55.12 Favored 'General case' 0 C--O 1.247 0.962 0 O-C-N 120.357 -1.464 . . . . 0.0 111.48 175.437 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 38' ' ' ASP . . . . . . . . . . . . . 47.3 m-20 -64.31 -9.95 20.95 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 115.977 1.843 . . . . 0.0 115.977 -179.595 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 62.2 t0 -92.39 137.04 32.7 Favored 'General case' 0 N--CA 1.486 1.371 0 N-CA-C 116.494 2.035 . . . . 0.0 116.494 -162.623 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 40' ' ' LYS . . . . . . . . . . . . . 25.6 tptp -55.25 -41.14 71.77 Favored 'General case' 0 CA--C 1.598 2.816 0 O-C-N 118.12 -2.863 . . . . 0.0 112.555 170.205 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 41' ' ' ARG . . . . . . . . . . . . . 79.6 mtm180 -70.39 158.36 36.12 Favored 'General case' 0 N--CA 1.502 2.164 0 CA-C-N 122.354 2.343 . . . . 0.0 112.841 -175.259 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 96.7 t -128.54 130.77 23.51 Favored Pre-proline 0 C--N 1.385 2.109 0 CA-C-O 114.142 -2.837 . . . . 0.0 111.21 157.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 43' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_endo -68.38 80.03 0.59 Allowed 'Trans proline' 0 CA--C 1.542 0.91 0 C-N-CA 123.684 2.923 . . . . 0.0 105.254 173.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 44' ' ' LYS . . . . . . . . . . . . . 73.4 tttt -70.06 -28.49 65.48 Favored 'General case' 0 N--CA 1.508 2.442 0 C-N-CA 128.278 2.631 . . . . 0.0 109.812 -165.457 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 45' ' ' SER . . . . . . . . . . . . . 8.7 t -149.66 131.34 14.97 Favored 'General case' 0 CA--C 1.479 -1.788 0 O-C-N 125.036 1.46 . . . . 0.0 114.355 163.634 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 46' ' ' THR . . . . . . . . . . . . . 10.9 m -116.44 138.8 51.08 Favored 'General case' 0 N--CA 1.501 2.104 0 C-N-CA 116.049 -2.261 . . . . 0.0 110.546 170.669 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 5.2 mp -123.98 139.2 51.13 Favored 'Isoleucine or valine' 0 N--CA 1.539 3.995 0 CA-C-O 115.114 -2.374 . . . . 0.0 108.362 -178.157 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 48' ' ' LYS . . . . . . . . . . . . . 17.5 pttt -130.56 164.66 24.41 Favored 'General case' 0 C--N 1.41 3.199 0 CA-C-N 123.788 2.995 . . . . 0.0 112.866 173.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 49' ' ' THR . . . . . . . . . . . . . 15.3 t -158.97 174.26 15.23 Favored 'General case' 0 CA--C 1.577 2.004 0 O-C-N 119.211 -2.18 . . . . 0.0 113.178 152.533 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -116.13 144.52 44.05 Favored 'General case' 0 CA--C 1.562 1.423 0 C-N-CA 128.068 2.547 . . . . 0.0 117.729 170.425 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 51' ' ' HIS . . . . . . . . . . . . . 5.9 t60 -126.54 138.95 53.54 Favored 'General case' 0 N--CA 1.508 2.459 0 CA-C-O 124.201 1.953 . . . . 0.0 108.736 -179.224 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 52' ' ' PHE . . . . . . . . . . . . . 40.0 t80 -125.44 146.98 49.38 Favored 'General case' 0 CA--C 1.487 -1.48 0 CA-C-N 110.892 -2.867 . . . . 0.0 104.822 -167.094 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 53' ' ' PHE . . . . . . . . . . . . . 91.3 t80 -147.67 137.88 22.99 Favored 'General case' 0 CA--C 1.569 1.708 0 CA-C-N 120.981 1.719 . . . . 0.0 111.71 -175.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 54' ' ' SER . . . . . . . . . . . . . 58.8 m -141.19 131.97 25.79 Favored 'General case' 0 C--N 1.384 2.097 0 CA-C-N 121.43 1.923 . . . . 0.0 115.575 165.127 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 49.0 tp -107.5 128.95 54.96 Favored 'General case' 0 N--CA 1.507 2.401 0 N-CA-C 108.358 -0.979 . . . . 0.0 108.358 -174.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 56' ' ' PHE . . . . . . . . . . . . . 26.5 m-85 -113.92 133.15 55.64 Favored 'General case' 0 N--CA 1.416 -2.141 0 C-N-CA 131.141 3.777 . . . . 0.0 111.115 -171.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 57' ' ' HIS . . . . . . . . . . . . . 11.5 t-160 -135.22 134.01 39.61 Favored 'General case' 0 N--CA 1.435 -1.188 0 O-C-N 119.984 -1.697 . . . . 0.0 111.084 172.132 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 58' ' ' GLN . . . . . . . . . . . . 0.335 13.5 mt-30 60.14 41.34 17.11 Favored 'General case' 0 C--N 1.278 -2.501 0 O-C-N 118.048 -2.907 . . . . 0.0 114.642 174.772 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 59' ' ' GLY . . . . . . . . . . . . . . . 85.93 12.27 71.73 Favored Glycine 0 CA--C 1.551 2.324 0 O-C-N 119.337 -2.102 . . . . 0.0 114.665 175.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 60' ' ' LYS . . . . . 0.511 ' HE3' ' SG ' ' C' ' 94' ' ' CYS . 42.5 mtmt -156.86 155.02 30.77 Favored 'General case' 0 C--N 1.363 1.186 0 C-N-CA 130.264 3.426 . . . . 0.0 111.925 -161.44 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 61' ' ' VAL . . . . . . . . . . . . . 8.2 p -93.44 140.17 16.89 Favored 'Isoleucine or valine' 0 C--O 1.257 1.498 0 CA-C-O 117.288 -1.339 . . . . 0.0 110.842 -178.523 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 62' ' ' PHE . . . . . . . . . . . . 0.25 0.1 OUTLIER -125.59 -9.96 6.8 Favored 'General case' 0 C--N 1.314 -0.966 0 N-CA-C 121.178 3.769 . . . . 0.0 121.178 175.367 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' C' C ' 63' ' ' PHE . . . . . 0.435 ' CE1' HG23 ' C' ' 103' ' ' ILE . 26.9 t80 -144.13 155.35 43.9 Favored 'General case' 0 N--CA 1.488 1.441 0 CA-C-O 117.466 -1.254 . . . . 0.0 112.786 166.386 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 64' ' ' SER . . . . . . . . . . . . . 10.1 p -139.87 147.09 40.15 Favored 'General case' 0 CA--C 1.58 2.134 0 C-N-CA 128.322 2.649 . . . . 0.0 106.533 163.7 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 65' ' ' LEU . . . . . . . . . . . . . 10.7 tp -143.51 150.44 38.94 Favored 'General case' 0 CA--C 1.548 0.892 0 CA-C-N 113.527 -1.67 . . . . 0.0 111.693 172.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 66' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -144.7 128.79 17.6 Favored 'General case' 0 C--N 1.414 3.382 0 C-N-CA 131.091 3.756 . . . . 0.0 107.277 -169.533 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 67' ' ' VAL . . . . . . . . . . . . . 87.8 t -156.51 137.73 5.21 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.856 0 C-N-CA 129.344 3.057 . . . . 0.0 112.623 -167.606 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 68' ' ' TYR . . . . . . . . . . . . . 80.1 m-85 -105.87 149.84 26.17 Favored 'General case' 0 N--CA 1.398 -3.035 0 O-C-N 128.008 3.318 . . . . 0.0 104.493 178.637 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 69' ' ' VAL . . . . . . . . . . . . . 99.7 t -130.84 143.48 40.74 Favored 'Isoleucine or valine' 0 C--N 1.346 0.443 0 O-C-N 116.532 -3.855 . . . . 0.0 113.181 170.265 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 70' ' ' TYR . . . . . . . . . . . . . 55.4 m-85 -133.35 145.05 50.02 Favored 'General case' 0 C--O 1.245 0.868 0 N-CA-C 106.662 -1.607 . . . . 0.0 106.662 -171.334 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 71' ' ' VAL . . . . . . . . . . . . . 27.4 t -122.85 129.47 75.12 Favored 'Isoleucine or valine' 0 CA--C 1.569 1.674 0 O-C-N 126.335 2.272 . . . . 0.0 112.256 161.479 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 72' ' ' THR . . . . . . . . . . . . . 90.7 m -108.44 114.7 28.75 Favored 'General case' 0 N--CA 1.442 -0.838 0 C-N-CA 126.322 1.849 . . . . 0.0 110.533 174.009 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 73' ' ' LEU . . . . . . . . . . . . . 37.7 mt -92.91 121.59 34.43 Favored 'General case' 0 N--CA 1.436 -1.159 0 CA-C-O 124.602 2.144 . . . . 0.0 109.779 168.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 74' ' ' TRP . . . . . . . . . . . . . 74.9 m95 -83.48 154.66 23.79 Favored 'General case' 0 N--CA 1.495 1.814 0 CA-C-N 112.574 -2.103 . . . . 0.0 115.245 170.468 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 54.5 p-10 -63.22 -24.98 68.12 Favored 'General case' 0 C--O 1.293 3.388 0 O-C-N 127.03 2.706 . . . . 0.0 111.912 177.09 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -148.67 -26.59 0.31 Allowed 'General case' 0 N--CA 1.517 2.887 0 O-C-N 119.032 -2.293 . . . . 0.0 112.226 -179.29 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 77' ' ' ALA . . . . . . . . . . . . . . . -82.35 26.36 0.55 Allowed 'General case' 0 N--CA 1.493 1.718 0 O-C-N 120.268 -1.52 . . . . 0.0 113.351 -177.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 78' ' ' ASP . . . . . . . . . . . . 0.312 37.9 m-20 59.1 -103.07 0.16 Allowed 'General case' 0 C--N 1.291 -1.962 0 CA-C-O 115.077 -2.392 . . . . 0.0 115.677 -178.398 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 79' ' ' ALA . . . . . . . . . . . . . . . -164.42 158.01 18.0 Favored 'General case' 0 C--N 1.307 -1.259 0 O-C-N 126.799 2.562 . . . . 0.0 116.99 -162.259 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 80' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -155.43 137.69 14.8 Favored 'General case' 0 N--CA 1.443 -0.818 0 C-N-CA 127.401 2.28 . . . . 0.0 112.426 178.577 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 81' ' ' ARG . . . . . . . . . . . . . 21.3 ptt180 -104.79 149.65 25.46 Favored 'General case' 0 C--N 1.378 1.824 0 O-C-N 126.328 2.267 . . . . 0.0 110.805 175.105 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 82' ' ' LEU . . . . . . . . . . . . . 2.0 tp -135.75 136.35 40.7 Favored 'General case' 0 CA--C 1.476 -1.887 0 O-C-N 124.382 1.052 . . . . 0.0 109.707 179.004 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 83' ' ' ILE . . . . . . . . . . . . . 48.0 mt -103.14 133.94 45.61 Favored 'Isoleucine or valine' 0 CA--C 1.573 1.863 0 N-CA-C 107.26 -1.385 . . . . 0.0 107.26 168.225 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 84' ' ' PHE . . . . . . . . . . . . . 34.2 t80 -118.63 130.2 55.73 Favored 'General case' 0 N--CA 1.432 -1.345 0 CA-C-N 123.43 2.832 . . . . 0.0 111.167 162.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 85' ' ' VAL . . . . . . . . . . . . . 30.2 t -96.7 125.86 49.55 Favored 'Isoleucine or valine' 0 CA--C 1.566 1.59 0 O-C-N 126.128 2.143 . . . . 0.0 112.455 177.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 86' ' ' SER . . . . . . . . . . . . . 39.6 t -86.17 -53.56 4.98 Favored 'General case' 0 N--CA 1.504 2.267 0 O-C-N 127.401 2.938 . . . . 0.0 114.146 179.287 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 87' ' ' LYS . . . . . . . . . . . . . 10.4 mttm -158.77 159.09 34.79 Favored 'General case' 0 N--CA 1.5 2.054 0 CA-C-O 117.673 -1.156 . . . . 0.0 109.686 -165.438 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 88' ' ' ALA . . . . . . . . . . . . . . . -155.98 154.32 30.91 Favored 'General case' 0 C--N 1.38 1.929 0 CA-C-O 123.619 1.676 . . . . 0.0 111.793 162.023 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 89' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -154.98 149.98 26.86 Favored 'General case' 0 C--O 1.204 -1.318 0 O-C-N 117.449 -3.282 . . . . 0.0 116.264 -175.666 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 90' ' ' THR . . . . . . . . . . . . . 25.3 p -125.4 171.1 10.72 Favored 'General case' 0 CA--C 1.568 1.672 0 C-N-CA 131.299 3.84 . . . . 0.0 111.838 177.749 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 91' ' ' ASN . . . . . . . . . . . . . 24.8 p30 -144.74 -23.85 0.51 Allowed 'General case' 0 C--O 1.276 2.459 0 C-N-CA 116.307 -2.157 . . . . 0.0 113.236 -176.42 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 92' ' ' GLY . . . . . . . . . . . . . . . 91.24 16.07 54.3 Favored Glycine 0 CA--C 1.485 -1.833 0 CA-C-O 116.727 -2.152 . . . . 0.0 113.657 174.111 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 93' ' ' TYR . . . . . . . . . . . . . 71.8 m-85 -107.08 -1.11 22.39 Favored 'General case' 0 N--CA 1.496 1.871 1 CA-C-N 125.805 4.802 . . . . 0.0 113.585 -172.859 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 94' ' ' CYS . . . . . 0.511 ' SG ' ' HE3' ' C' ' 60' ' ' LYS . 0.7 OUTLIER -138.56 160.12 40.37 Favored 'General case' 0 CA--C 1.618 3.569 0 N-CA-C 106.422 -1.696 . . . . 0.0 106.422 150.72 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' C' C ' 95' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -143.26 149.09 37.41 Favored 'General case' 0 C--N 1.305 -1.334 0 C-N-CA 129.314 3.046 . . . . 0.0 110.67 -171.353 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 96' ' ' THR . . . . . . . . . . . . . 9.4 t -168.04 161.38 12.65 Favored 'General case' 0 N--CA 1.488 1.437 0 CA-C-O 123.427 1.584 . . . . 0.0 110.996 178.731 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 47.0 mmm-85 -71.73 44.97 0.11 Allowed 'General case' 0 N--CA 1.532 3.631 0 CA-C-O 127.047 3.308 . . . . 0.0 111.942 -172.616 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 98' ' ' VAL . . . . . . . . . . . . . 2.6 p -149.92 132.98 7.02 Favored 'Isoleucine or valine' 0 C--N 1.405 3.005 0 O-C-N 117.214 -3.429 . . . . 0.0 109.213 174.514 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 99' ' ' SER . . . . . . . . . . . . . 42.9 t -81.9 139.92 34.38 Favored 'General case' 0 CA--C 1.483 -1.597 0 O-C-N 120.421 -1.424 . . . . 0.0 111.789 171.328 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 100' ' ' VAL . . . . . . . . . . . . . 14.1 m -54.06 -21.86 6.53 Favored 'Isoleucine or valine' 0 N--CA 1.515 2.819 0 O-C-N 127.077 2.736 . . . . 0.0 114.35 171.126 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 101' ' ' ARG . . . . . . . . . . . . . 59.6 ttp180 -46.5 -45.83 18.68 Favored 'General case' 0 C--N 1.376 1.725 0 CA-C-N 120.95 1.704 . . . . 0.0 114.367 162.367 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 102' ' ' ASP . . . . . . . . . . . . . 44.6 m-20 -85.95 -26.35 25.56 Favored 'General case' 0 N--CA 1.416 -2.163 0 CA-C-O 114.281 -2.771 . . . . 0.0 113.525 -171.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 103' ' ' ILE . . . . . 0.435 HG23 ' CE1' ' C' ' 63' ' ' PHE . 24.2 mm -53.28 -39.92 37.05 Favored 'Isoleucine or valine' 0 N--CA 1.411 -2.383 0 O-C-N 126.313 2.258 . . . . 0.0 116.639 153.166 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 104' ' ' THR . . . . . . . . . . . . . 32.7 m -71.93 -51.48 21.88 Favored 'General case' 0 CA--C 1.48 -1.728 0 O-C-N 118.741 -2.474 . . . . 0.0 112.194 -179.747 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 105' ' ' LYS . . . . . . . . . . . . . 12.8 tmtt? -51.72 -46.83 64.1 Favored 'General case' 0 CA--C 1.559 1.308 0 O-C-N 125.928 2.017 . . . . 0.0 116.166 167.007 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 106' ' ' ILE . . . . . . . . . . . . . 10.0 tp -75.66 -37.67 36.71 Favored 'Isoleucine or valine' 0 CA--C 1.592 2.582 0 O-C-N 118.421 -2.675 . . . . 0.0 110.205 -168.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 107' ' ' ILE . . . . . . . . . . . . . 19.9 mm -61.72 -40.02 85.33 Favored 'Isoleucine or valine' 0 C--N 1.363 1.157 0 C-N-CA 126.444 1.898 . . . . 0.0 108.238 169.67 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 108' ' ' LEU . . . . . . . . . . . . . 57.0 mt -63.07 -26.17 68.71 Favored 'General case' 0 N--CA 1.504 2.225 0 CA-C-O 114.993 -2.432 . . . . 0.0 113.36 174.312 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 109' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -77.34 -38.35 50.49 Favored 'General case' 0 CA--C 1.577 1.982 0 O-C-N 125.597 1.811 . . . . 0.0 110.568 179.516 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 110' ' ' PHE . . . . . . . . . . . . . 85.5 t80 -58.79 -47.69 83.85 Favored 'General case' 0 C--N 1.353 0.737 0 O-C-N 126.315 2.259 . . . . 0.0 112.92 171.406 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 111' ' ' ILE . . . . . . . . . . . . . 40.8 mm -61.42 -46.69 96.07 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.284 0 O-C-N 118.198 -2.814 . . . . 0.0 114.066 167.059 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 112' ' ' LEU . . . . . . . . . . . . . 20.0 tp -58.64 -35.36 72.39 Favored 'General case' 0 C--O 1.204 -1.328 0 N-CA-C 115.853 1.798 . . . . 0.0 115.853 174.199 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 113' ' ' SER . . . . . . . . . . . . . 48.6 m -73.6 -11.18 60.34 Favored 'General case' 0 CA--C 1.563 1.464 0 N-CA-C 119.853 3.279 . . . . 0.0 119.853 171.238 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 114' ' ' ILE . . . . . . . . . . . . . 15.3 mt -60.87 130.09 24.39 Favored 'Isoleucine or valine' 0 N--CA 1.522 3.156 0 O-C-N 127.147 2.78 . . . . 0.0 110.654 171.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 115' ' ' ASP . . . . . . . . . . . . . 36.8 t0 -71.01 127.4 91.7 Favored Pre-proline 0 N--CA 1.425 -1.69 0 CA-C-O 114.763 -2.541 . . . . 0.0 105.283 172.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 116' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -61.93 -21.29 72.0 Favored 'Trans proline' 0 C--N 1.408 3.693 0 CA-C-N 121.42 1.543 . . . . 0.0 111.055 -174.148 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 117' ' ' ASN . . . . . . . . . . . . . 12.9 m-80 -62.2 -18.44 61.06 Favored 'General case' 0 N--CA 1.483 1.198 0 N-CA-C 115.555 1.687 . . . . 0.0 115.555 174.015 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 118' ' ' TYR . . . . . . . . . . . . . 77.0 t80 -63.13 -14.84 53.42 Favored 'General case' 0 N--CA 1.525 3.325 0 N-CA-C 115.968 1.84 . . . . 0.0 115.968 167.062 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 119' ' ' TYR . . . . . . . . . . . . . 56.2 m-85 -108.64 -1.05 19.84 Favored 'General case' 0 N--CA 1.532 3.655 0 CA-C-O 113.636 -3.078 . . . . 0.0 110.742 177.091 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 120' ' ' LEU . . . . . . . . . . . . . 60.4 mt -118.78 -25.66 6.29 Favored 'General case' 0 C--N 1.275 -2.639 0 CA-C-O 114.152 -2.833 . . . . 0.0 111.991 -169.37 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 121' ' ' GLN . . . . . . . . . . . . . 21.4 pt20 -66.98 -30.72 70.91 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 123.153 2.706 . . . . 0.0 111.33 -168.453 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 122' ' ' LYS . . . . . 0.469 ' HE2' ' CE1' ' C' ' 176' ' ' TYR . 74.1 tttt -152.03 130.92 12.5 Favored 'General case' 0 N--CA 1.538 3.939 0 C-N-CA 127.66 2.384 . . . . 0.0 111.064 171.809 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 123' ' ' VAL . . . . . . . . . . . . . 76.2 t -140.58 140.42 33.92 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.807 0 O-C-N 120.135 -1.603 . . . . 0.0 107.765 -161.33 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 124' ' ' LYS . . . . . . . . . . . . . 65.6 tttp -78.19 115.52 51.54 Favored Pre-proline 0 C--N 1.307 -1.265 0 C-N-CA 123.904 0.881 . . . . 0.0 111.514 -174.043 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 125' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo -72.71 158.36 50.61 Favored 'Trans proline' 0 C--N 1.402 3.347 0 CA-C-O 122.939 1.141 . . . . 0.0 113.283 -174.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 126' ' ' ALA . . . . . . . . . . . . . . . -59.46 -41.61 90.1 Favored 'General case' 0 CA--C 1.576 1.944 0 O-C-N 120.024 -1.672 . . . . 0.0 114.794 176.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 127' ' ' ILE . . . . . . . . . . . . . 9.2 tp -137.49 159.04 35.12 Favored 'Isoleucine or valine' 0 CA--C 1.564 1.496 1 C-N-CA 132.532 4.333 . . . . 0.0 107.402 179.278 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 128' ' ' ARG . . . . . . . . . . . . . 64.9 mtt180 -143.73 155.88 44.34 Favored 'General case' 0 CA--C 1.475 -1.919 0 O-C-N 125.538 1.774 . . . . 0.0 113.634 -175.118 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 129' ' ' SER . . . . . . . . . . . . . 6.1 t -115.56 128.68 56.14 Favored 'General case' 0 N--CA 1.477 0.907 0 CA-C-N 115.316 -0.857 . . . . 0.0 113.261 177.55 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 130' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 -121.21 -7.98 9.29 Favored 'General case' 0 N--CA 1.508 2.451 0 CA-C-O 117.13 -1.414 . . . . 0.0 110.203 -160.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 131' ' ' LYS . . . . . . . . . . . . . 45.1 pttt -133.85 3.56 3.5 Favored 'General case' 0 N--CA 1.512 2.673 0 C-N-CA 129.002 2.921 . . . . 0.0 112.824 -173.741 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 132' ' ' LYS . . . . . . . . . . . . . 7.7 ptmt -65.66 -28.5 69.14 Favored 'General case' 0 C--N 1.305 -1.33 0 N-CA-C 115.854 1.798 . . . . 0.0 115.854 -173.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 133' ' ' ILE . . . . . . . . . . . . . 4.0 pt -147.79 165.34 5.74 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.267 0 C-N-CA 127.503 2.321 . . . . 0.0 112.304 175.37 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 134' ' ' SER . . . . . . . . . . . . . 10.8 t -122.06 129.08 25.27 Favored Pre-proline 0 C--O 1.209 -1.039 0 CA-C-N 121.002 1.728 . . . . 0.0 112.44 -149.2 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 135' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_exo -71.29 147.91 88.72 Favored 'Cis proline' 0 N--CA 1.517 2.879 0 N-CA-C 118.524 2.471 . . . . 0.0 118.524 7.262 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 136' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -75.83 152.06 37.34 Favored 'General case' 0 C--O 1.292 3.335 0 O-C-N 125.306 1.628 . . . . 0.0 111.883 172.735 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 137' ' ' LEU . . . . . . . . . . . . . 6.1 mp -99.39 129.89 45.62 Favored 'General case' 0 N--CA 1.429 -1.489 0 C-N-CA 129.515 3.126 . . . . 0.0 112.277 -168.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 138' ' ' ILE . . . . . . . . . . . . . 89.5 mt -71.47 111.87 5.94 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.791 0 CA-C-O 126.444 3.021 . . . . 0.0 116.906 166.407 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 139' ' ' SER . . . . . . . . . . . . . 10.2 p -147.38 177.82 8.92 Favored 'General case' 0 N--CA 1.513 2.702 0 O-C-N 117.57 -3.206 . . . . 0.0 112.252 -175.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 140' ' ' ALA . . . . . . . . . . . . . . . -66.35 9.69 0.15 Allowed 'General case' 0 C--O 1.268 2.034 0 N-CA-C 118.193 2.664 . . . . 0.0 118.193 161.338 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 141' ' ' ALA . . . . . . . . . . . . . . . -95.27 -15.83 22.9 Favored 'General case' 0 C--O 1.26 1.623 0 O-C-N 120.969 -1.082 . . . . 0.0 112.683 160.222 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 142' ' ' SER . . . . . . . . . . . . . 24.8 m -87.68 139.4 30.57 Favored 'General case' 0 C--O 1.256 1.396 0 O-C-N 118.869 -2.394 . . . . 0.0 105.663 167.395 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 143' ' ' THR . . . . . . . . . . . . . 43.4 p -62.59 169.87 2.85 Favored Pre-proline 0 CA--C 1.575 1.912 0 CA-C-N 119.303 0.956 . . . . 0.0 112.476 170.009 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 144' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -64.45 -34.23 54.62 Favored 'Trans proline' 0 CA--C 1.541 0.826 0 CA-C-O 116.33 -1.613 . . . . 0.0 111.53 171.752 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 145' ' ' ALA . . . . . . . . . . . . . . . -59.8 -56.85 16.62 Favored 'General case' 0 C--O 1.203 -1.361 0 CA-C-N 119.866 1.212 . . . . 0.0 111.542 171.56 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 146' ' ' ARG . . . . . . . . . . . . . 27.7 ttt-85 -68.01 -28.3 67.29 Favored 'General case' 0 CA--C 1.497 -1.061 0 CA-C-O 112.821 -3.466 . . . . 0.0 118.692 177.506 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 147' ' ' THR . . . . . . . . . . . . . 63.8 m -52.59 -53.14 50.75 Favored 'General case' 0 C--O 1.255 1.377 0 O-C-N 128.136 3.397 . . . . 0.0 114.186 160.189 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 148' ' ' LEU . . . . . . . . . . . . . 9.2 mp -77.06 -27.01 54.18 Favored 'General case' 0 CA--C 1.606 3.129 0 C-N-CA 126.856 2.062 . . . . 0.0 111.446 -177.009 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 149' ' ' ARG . . . . . . . . . . . . . 37.0 mtt180 -68.88 -37.89 79.33 Favored 'General case' 0 CA--C 1.572 1.815 0 C-N-CA 124.889 1.276 . . . . 0.0 113.173 169.023 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 150' ' ' ILE . . . . . . . . . . . . . 21.1 mt -75.43 -42.18 42.72 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.338 0 O-C-N 124.159 0.912 . . . . 0.0 109.47 176.138 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 151' ' ' LEU . . . . . . . . . . . . . 66.8 mt -49.35 -53.43 22.34 Favored 'General case' 0 N--CA 1.509 2.494 0 O-C-N 116.788 -3.695 . . . . 0.0 113.351 167.068 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 152' ' ' ALA . . . . . . . . . . . . . . . -64.98 -23.38 67.2 Favored 'General case' 0 C--O 1.194 -1.843 0 O-C-N 119.524 -1.985 . . . . 0.0 113.443 176.101 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 153' ' ' ARG . . . . . . . . . . . . . 16.0 ttm180 -77.4 -47.21 20.41 Favored 'General case' 0 CA--C 1.575 1.942 0 CA-C-O 114.1 -2.857 . . . . 0.0 113.135 168.462 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 154' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -60.98 -38.42 85.92 Favored 'General case' 0 CA--C 1.481 -1.697 0 CA-C-N 121.187 1.812 . . . . 0.0 114.197 177.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 155' ' ' LEU . . . . . . . . . . . . . 25.9 mt -72.18 -38.44 69.11 Favored 'General case' 0 CA--C 1.584 2.28 0 O-C-N 116.945 -3.597 . . . . 0.0 109.88 177.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 156' ' ' LYS . . . . . 0.427 ' HE3' ' OE1' ' C' ' 157' ' ' GLN . 32.7 ttpt -77.4 -47.39 19.94 Favored 'General case' 0 CA--C 1.536 0.415 1 O-C-N 116.294 -4.004 . . . . 0.0 113.032 -176.429 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' C' C ' 157' ' ' GLN . . . . . 0.427 ' OE1' ' HE3' ' C' ' 156' ' ' LYS . 29.5 mm100 -80.56 -47.91 13.5 Favored 'General case' 0 C--O 1.206 -1.226 0 O-C-N 118.405 -2.684 . . . . 0.0 108.676 177.8 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 158' ' ' SER . . . . . . . . . . . . . 1.3 m -110.09 -8.45 14.8 Favored 'General case' 0 C--O 1.243 0.722 0 CA-C-N 122.782 2.537 . . . . 0.0 113.652 -160.314 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 159' ' ' GLY . . . . . . . . . . . . . . . 87.05 -6.87 82.5 Favored Glycine 0 C--O 1.259 1.671 1 C-N-CA 132.93 5.062 . . . . 0.0 117.697 170.115 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 160' ' ' SER . . . . . . . . . . . . . 41.0 t -149.33 149.65 31.23 Favored 'General case' 0 C--N 1.402 2.865 0 O-C-N 127.437 2.492 . . . . 0.0 107.387 -174.093 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 161' ' ' THR . . . . . . . . . . . . . 63.4 p -68.6 -31.62 70.94 Favored 'General case' 0 CA--C 1.559 1.292 0 CA-C-N 120.862 1.665 . . . . 0.0 113.665 164.303 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 162' ' ' VAL . . . . . . . . . . . . . 16.2 t -65.05 132.17 30.86 Favored 'Isoleucine or valine' 0 CA--C 1.564 1.506 0 O-C-N 128.714 3.759 . . . . 0.0 112.876 179.35 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 163' ' ' LEU . . . . . . . . . . . . . 16.6 mt -120.89 131.86 54.63 Favored 'General case' 0 N--CA 1.455 -0.197 0 O-C-N 119.168 -2.208 . . . . 0.0 113.446 166.114 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 164' ' ' LYS . . . . . . . . . . . . . 34.1 tptt -82.0 -31.65 30.97 Favored 'General case' 0 N--CA 1.423 -1.8 0 C-N-CA 127.804 2.442 . . . . 0.0 111.329 173.072 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 165' ' ' GLU . . . . . . . . . . . . . 29.3 tp10 -61.2 -45.54 94.14 Favored 'General case' 0 CA--C 1.585 2.302 0 CA-C-O 125.313 2.483 . . . . 0.0 115.226 -170.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 166' ' ' ILE . . . . . . . . . . . . . 1.9 pp -63.88 0.92 0.49 Allowed 'Isoleucine or valine' 0 C--O 1.281 2.719 0 CA-C-O 125.413 2.53 . . . . 0.0 116.572 -177.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 167' ' ' GLU . . . . . . . . . . . . . 82.4 mt-10 -86.7 -18.79 30.34 Favored 'General case' 0 C--O 1.294 3.424 0 O-C-N 118.567 -2.583 . . . . 0.0 110.864 171.575 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 168' ' ' SER . . . . . . . . . . . . . 97.2 p -66.73 160.77 66.25 Favored Pre-proline 0 N--CA 1.488 1.463 0 N-CA-C 116.368 1.988 . . . . 0.0 116.368 -176.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 169' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_exo -68.29 -34.84 20.33 Favored 'Trans proline' 0 CA--C 1.565 2.052 0 C-N-CA 122.984 2.456 . . . . 0.0 115.753 -158.418 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 170' ' ' ARG . . . . . . . . . . . . . 20.1 ptt85 -69.19 -12.46 61.69 Favored 'General case' 0 N--CA 1.494 1.729 0 CA-C-O 115.937 -1.982 . . . . 0.0 110.547 178.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 171' ' ' PHE . . . . . . . . . . . . . 53.7 m-85 -80.73 -50.02 10.42 Favored 'General case' 0 N--CA 1.512 2.651 0 CA-C-O 124.188 1.947 . . . . 0.0 112.664 163.404 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 172' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -72.23 -25.1 61.5 Favored 'General case' 0 N--CA 1.534 3.769 0 O-C-N 119.07 -2.269 . . . . 0.0 113.4 -171.369 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 173' ' ' GLN . . . . . . . . . . . . . 41.5 tt0 -49.85 -27.61 5.37 Favored 'General case' 0 C--O 1.281 2.748 0 CA-C-O 115.294 -2.288 . . . . 0.0 110.745 172.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 174' ' ' ASP . . . . . . . . . . . . . 68.5 m-20 -114.88 -42.68 3.2 Favored 'General case' 0 N--CA 1.425 -1.691 0 C-N-CA 128.168 2.587 . . . . 0.0 112.21 -174.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 175' ' ' LEU . . . . . . . . . . . . . 68.6 mt -71.71 -19.67 62.03 Favored 'General case' 0 N--CA 1.53 3.552 0 C-N-CA 126.844 2.058 . . . . 0.0 110.229 -171.348 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 176' ' ' TYR . . . . . 0.469 ' CE1' ' HE2' ' C' ' 122' ' ' LYS . 75.4 m-85 -139.97 142.06 36.38 Favored 'General case' 0 C--O 1.252 1.193 0 C-N-CA 125.847 1.659 . . . . 0.0 112.371 -176.527 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 177' ' ' LEU . . . . . . . . . . . . . 18.2 mt -91.05 155.37 18.72 Favored 'General case' 0 N--CA 1.529 3.517 0 N-CA-C 106.753 -1.573 . . . . 0.0 106.753 162.667 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 178' ' ' SER . . . . . . . . . . . . . 47.1 t -156.08 132.71 10.3 Favored 'General case' 0 N--CA 1.422 -1.836 0 CA-C-O 123.853 1.787 . . . . 0.0 109.072 175.132 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 179' ' ' PHE . . . . . . . . . . . . . 68.7 m-85 -137.76 161.77 35.68 Favored 'General case' 0 CA--C 1.563 1.46 0 CA-C-N 111.508 -2.587 . . . . 0.0 110.734 -171.415 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 180' ' ' THR . . . . . . . . . . . . . 11.6 m -141.32 136.73 31.82 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 119.19 -2.193 . . . . 0.0 113.523 175.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 181' ' ' CYS . . . . . . . . . . . . . 12.6 p -144.0 172.41 5.57 Favored Pre-proline 0 N--CA 1.507 2.388 0 CA-C-N 121.757 2.071 . . . . 0.0 111.461 173.062 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 182' ' ' PRO . . . . . . . . . . . . . 27.4 Cg_exo -57.61 148.31 74.24 Favored 'Trans proline' 0 C--O 1.201 -1.355 0 C-N-CA 123.257 2.638 . . . . 0.0 111.65 170.441 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 183' ' ' ARG . . . . . . . . . . . . 0.267 4.4 ptp180 -83.61 -16.16 46.31 Favored 'General case' 0 CA--C 1.572 1.822 0 O-C-N 118.701 -2.499 . . . . 0.0 114.799 169.536 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 184' ' ' GLU . . . . . . . . . . . . . 14.9 tp10 -96.12 106.75 18.98 Favored 'General case' 0 C--N 1.281 -2.39 0 O-C-N 125.772 1.92 . . . . 0.0 108.557 168.086 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 185' ' ' ILE . . . . . . . . . . . . 0.395 26.0 pt -141.53 157.55 21.47 Favored 'Isoleucine or valine' 0 C--O 1.2 -1.52 0 C-N-CA 127.04 2.136 . . . . 0.0 113.39 -174.607 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 186' ' ' LEU . . . . . . . . . . . . . 56.5 tp -56.16 130.98 46.47 Favored 'General case' 0 CA--C 1.589 2.469 0 C-N-CA 126.03 1.732 . . . . 0.0 112.615 168.378 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 187' ' ' THR . . . . . . . . . . . . . 17.1 m -105.87 140.84 38.28 Favored 'General case' 0 C--O 1.251 1.162 0 C-N-CA 126.559 1.944 . . . . 0.0 113.049 176.486 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 188' ' ' LYS . . . . . . . . . . . . . 89.3 mttt -122.17 146.82 46.88 Favored 'General case' 0 CA--C 1.487 -1.472 0 CA-C-N 121.359 1.891 . . . . 0.0 109.843 160.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 189' ' ' ILE . . . . . . . . . . . . . 81.2 mt -122.06 143.03 36.07 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.953 0 O-C-N 120.124 -1.61 . . . . 0.0 110.201 165.588 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 190' ' ' CYS . . . . . . . . . . . . . 48.2 t -138.21 141.93 39.98 Favored 'General case' 0 CA--C 1.491 -1.3 0 C-N-CA 128.276 2.63 . . . . 0.0 111.013 -173.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 191' ' ' LEU . . . . . . . . . . . . . 2.8 mp -150.08 151.0 32.51 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 127.629 2.372 . . . . 0.0 111.39 177.26 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 192' ' ' PHE . . . . . 0.496 ' CD1' ' HE3' ' C' ' 290' ' ' LYS 0.255 5.7 t80 -132.68 94.02 3.33 Favored 'General case' 0 C--O 1.21 -0.98 0 N-CA-C 116.676 2.102 . . . . 0.0 116.676 173.825 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' C' C ' 193' ' ' THR . . . . . . . . . . . . . 51.6 p -79.13 112.01 15.93 Favored 'General case' 0 C--O 1.277 2.509 0 O-C-N 116.676 -3.765 . . . . 0.0 108.876 -153.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 194' ' ' ARG . . . . . . . . . . . . . 29.3 ptt85 -149.93 157.17 38.13 Favored Pre-proline 0 CA--C 1.589 2.458 0 CA-C-O 115.617 -2.135 . . . . 0.0 111.819 -173.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 195' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_exo -50.96 -40.13 58.71 Favored 'Trans proline' 0 C--O 1.172 -2.798 1 C-N-CA 127.564 5.51 . . . . 0.0 113.204 -177.129 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 196' ' ' ALA . . . . . . . . . . . . . . . -78.46 -15.99 58.03 Favored 'General case' 0 N--CA 1.486 1.332 0 CA-C-N 112.667 -2.06 . . . . 0.0 109.831 -173.05 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 197' ' ' SER . . . . . . . . . . . . . 5.6 t -73.88 -26.77 60.73 Favored 'General case' 0 C--N 1.36 1.034 0 CA-C-N 122.617 2.462 . . . . 0.0 108.277 171.452 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 198' ' ' GLN . . . . . . . . . . . . . 21.6 mm100 -84.73 44.16 1.04 Allowed 'General case' 0 N--CA 1.514 2.741 1 O-C-N 115.38 -4.575 . . . . 0.0 112.187 179.761 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 199' ' ' TYR . . . . . . . . . . . . . 43.2 t80 -149.68 115.95 5.76 Favored 'General case' 0 CA--C 1.571 1.766 0 C-N-CA 126.341 1.857 . . . . 0.0 114.206 -176.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 200' ' ' LEU . . . . . . . . . . . . . 17.6 mt -146.32 -22.38 0.44 Allowed 'General case' 0 C--N 1.382 1.994 0 CA-C-O 113.412 -3.185 . . . . 0.0 109.264 171.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 201' ' ' PHE . . . . . . . . . . . . . 21.3 m-85 -107.19 91.65 6.95 Favored Pre-proline 0 C--O 1.278 2.58 1 C-N-CA 131.768 4.027 . . . . 0.0 108.871 174.461 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 202' ' ' PRO . . . . . . . . . . . . . 30.6 Cg_exo -45.53 145.13 4.39 Favored 'Trans proline' 0 C--O 1.253 1.239 0 O-C-N 116.488 -2.427 . . . . 0.0 115.002 171.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 203' ' ' ASP . . . . . . . . . . . . . 80.1 m-20 56.59 -5.53 0.03 OUTLIER 'General case' 0 CA--C 1.581 2.166 0 C-N-CA 127.977 2.511 . . . . 0.0 115.471 179.531 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 204' ' ' SER . . . . . . . . . . . . . 47.1 p -54.75 -27.89 44.42 Favored 'General case' 0 N--CA 1.5 2.04 0 C-N-CA 130.265 3.426 . . . . 0.0 114.555 -177.113 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 205' ' ' SER . . . . . . . . . . . . . 75.3 m -72.02 -10.61 60.01 Favored 'General case' 0 C--N 1.31 -1.137 0 N-CA-C 114.025 1.12 . . . . 0.0 114.025 179.657 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 206' ' ' LYS . . . . . . . . . . . . . 37.0 mtpt -62.11 -27.22 68.78 Favored 'General case' 0 N--CA 1.51 2.527 0 N-CA-C 114.85 1.426 . . . . 0.0 114.85 168.424 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 207' ' ' ASN . . . . . . . . . . . . . 52.0 t-20 -77.8 111.1 13.27 Favored 'General case' 0 C--N 1.353 0.746 0 CA-C-O 116.837 -1.554 . . . . 0.0 113.526 -178.406 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 208' ' ' SER . . . . . . . . . . . . 0.259 2.8 t -47.73 -29.0 2.74 Favored 'General case' 0 C--O 1.266 1.962 0 N-CA-C 118.675 2.843 . . . . 0.0 118.675 172.176 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 209' ' ' LYS . . . . . . . . . . . . . 87.0 mttt -69.2 -10.19 56.54 Favored 'General case' 0 N--CA 1.516 2.863 0 CA-C-O 112.153 -3.784 . . . . 0.0 112.176 169.205 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 210' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -81.87 133.9 35.36 Favored 'General case' 0 C--O 1.278 2.583 0 CA-C-N 123.054 2.661 . . . . 0.0 110.984 -179.049 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 211' ' ' HIS . . . . . . . . . . . . . 8.0 t-160 -78.61 115.05 18.05 Favored 'General case' 0 C--O 1.251 1.147 0 CA-C-O 114.561 -2.638 . . . . 0.0 108.428 165.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 212' ' ' ILE . . . . . . . . . . . . . 37.6 mt -91.71 129.47 42.33 Favored 'Isoleucine or valine' 0 C--O 1.246 0.901 0 CA-C-N 123.347 2.794 . . . . 0.0 112.076 167.506 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 213' ' ' LEU . . . . . . . . . . . . . 17.1 mt -96.05 127.73 42.32 Favored 'General case' 0 C--O 1.205 -1.266 0 C-N-CA 127.564 2.345 . . . . 0.0 111.216 171.118 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 214' ' ' ASN . . . . . . . . . . . . . 30.4 t30 -142.03 167.63 21.66 Favored 'General case' 0 C--N 1.366 1.318 0 CA-C-N 111.392 -2.64 . . . . 0.0 110.989 177.747 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 215' ' ' GLY . . . . . . . . . . . . . . . 35.69 -122.41 0.62 Allowed Glycine 0 CA--C 1.556 2.606 0 C-N-CA 128.287 2.851 . . . . 0.0 117.853 171.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 216' ' ' GLU . . . . . . . . . . . . 0.371 1.8 pm0 -59.1 -36.57 75.37 Favored 'General case' 0 C--N 1.322 -0.614 0 O-C-N 127.198 2.352 . . . . 0.0 113.897 -176.33 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 217' ' ' GLU . . . . . . . . . . . . . 41.8 mm-40 -78.76 -31.41 46.19 Favored 'General case' 0 C--O 1.194 -1.841 0 O-C-N 116.331 -3.98 . . . . 0.0 116.998 179.324 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 218' ' ' LEU . . . . . . . . . . . . . 24.0 tp -67.19 -48.55 67.57 Favored 'General case' 0 CA--C 1.599 2.837 0 CA-C-N 113.382 -1.736 . . . . 0.0 111.659 168.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 219' ' ' MET . . . . . . . . . . . . . 13.6 tmm? -45.79 -55.69 6.26 Favored 'General case' 0 CA--C 1.579 2.091 0 O-C-N 118.264 -2.773 . . . . 0.0 111.529 165.182 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 220' ' ' LYS . . . . . . . . . . . . . 40.6 mtmt -68.13 -35.37 77.99 Favored 'General case' 0 N--CA 1.443 -0.786 0 N-CA-C 116.161 1.912 . . . . 0.0 116.161 176.235 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 221' ' ' TRP . . . . . . . . . . . . . 79.9 t90 -62.41 -48.33 80.17 Favored 'General case' 0 C--N 1.263 -3.18 0 CA-C-O 125.319 2.485 . . . . 0.0 113.635 -177.612 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 222' ' ' TRP . . . . . . . . . . . . . 16.4 m95 -71.17 -26.98 63.21 Favored 'General case' 0 N--CA 1.427 -1.595 0 O-C-N 117.475 -3.265 . . . . 0.0 117.943 168.527 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 223' ' ' GLY . . . . . . . . . . . . . . . -69.67 -41.34 75.2 Favored Glycine 0 CA--C 1.554 2.503 0 O-C-N 117.173 -3.455 . . . . 0.0 108.895 176.094 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 224' ' ' PHE . . . . . . . . . . . . . 21.5 m-85 -62.0 -21.9 65.25 Favored 'General case' 0 C--N 1.365 1.259 1 O-C-N 116.397 -4.001 . . . . 0.0 113.956 167.654 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 225' ' ' ILE . . . . . . . . . . . . . 15.4 mt -77.73 -43.35 29.32 Favored 'Isoleucine or valine' 0 CA--C 1.597 2.781 0 O-C-N 119.025 -2.297 . . . . 0.0 106.117 177.518 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 226' ' ' LEU . . . . . . . . . . . . . 40.9 mt -72.58 -29.4 63.5 Favored 'General case' 0 N--CA 1.415 -2.219 0 O-C-N 118.488 -2.632 . . . . 0.0 111.64 177.493 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 227' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -70.36 -31.51 68.81 Favored 'General case' 0 CA--C 1.571 1.763 0 O-C-N 126.545 2.403 . . . . 0.0 114.053 171.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 228' ' ' ARG . . . . . . . . . . . . . 23.9 mtt180 -74.15 -13.93 60.89 Favored 'General case' 0 C--N 1.32 -0.712 0 O-C-N 119.21 -2.182 . . . . 0.0 115.02 168.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 229' ' ' LEU . . . . . . . . . . . . . 89.7 mt -79.84 -42.02 25.15 Favored 'General case' 0 CA--C 1.477 -1.843 0 CA-C-N 119.382 0.992 . . . . 0.0 111.596 163.533 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 230' ' ' LEU . . . . . . . . . . . . . 19.6 mt -63.09 -41.32 99.38 Favored 'General case' 0 C--N 1.387 2.197 0 N-CA-C 108.979 -0.748 . . . . 0.0 108.979 -163.214 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 231' ' ' ILE . . . . . . . . . . . . . 8.9 pt -84.82 16.52 0.5 Allowed 'Isoleucine or valine' 0 N--CA 1.524 3.23 0 N-CA-C 117.785 2.513 . . . . 0.0 117.785 173.296 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 232' ' ' GLU . . . . . . . . . . . . . 51.1 tt0 -150.43 -31.8 0.19 Allowed 'General case' 0 C--O 1.179 -2.645 0 O-C-N 116.913 -3.617 . . . . 0.0 115.072 179.513 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 233' ' ' CYS . . . . . . . . . . . . . 64.8 m -115.31 6.51 14.94 Favored 'General case' 0 N--CA 1.528 3.435 0 N-CA-C 115.003 1.483 . . . . 0.0 115.003 -172.596 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 234' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -141.11 150.37 42.78 Favored 'General case' 0 CA--C 1.597 2.752 0 O-C-N 119.029 -2.294 . . . . 0.0 110.584 -174.477 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 235' ' ' GLN . . . . . . . . . . . . . 49.9 mm-40 -70.27 145.22 51.45 Favored 'General case' 0 C--N 1.306 -1.284 0 C-N-CA 129.117 2.967 . . . . 0.0 110.953 166.591 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 236' ' ' ASN . . . . . . . . . . . . . 40.0 t30 -86.13 22.24 1.8 Allowed 'General case' 0 C--O 1.197 -1.659 0 CA-C-O 125.607 2.622 . . . . 0.0 112.249 -163.519 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 237' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -110.83 1.18 17.55 Favored 'General case' 0 C--O 1.264 1.862 0 O-C-N 117.201 -3.437 . . . . 0.0 110.65 169.569 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 238' ' ' THR . . . . . . . . . . . . . 51.5 m -69.14 145.43 53.33 Favored 'General case' 0 CA--C 1.587 2.373 0 O-C-N 117.64 -3.163 . . . . 0.0 116.872 -172.515 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 239' ' ' GLN . . . . . . . . . . . . . 30.4 mm-40 -90.31 142.84 27.32 Favored 'General case' 0 C--O 1.215 -0.759 0 C-N-CA 127.626 2.371 . . . . 0.0 108.33 -179.141 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 240' ' ' ALA . . . . . . . . . . . . . . . -144.15 124.25 13.66 Favored 'General case' 0 C--N 1.304 -1.382 0 N-CA-C 114.855 1.428 . . . . 0.0 114.855 170.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 241' ' ' LYS . . . . . . . . . . . . . 38.3 mmtt -111.91 157.22 20.9 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 126.134 2.146 . . . . 0.0 115.924 -176.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 242' ' ' LEU . . . . . . . . . . . . . 53.9 tp -139.19 140.31 37.77 Favored 'General case' 0 C--O 1.214 -0.796 0 C-N-CA 128.779 2.832 . . . . 0.0 109.74 166.167 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 243' ' ' ARG . . . . . . . . . . . . . 44.6 ttt180 -151.98 149.47 28.93 Favored 'General case' 0 N--CA 1.521 3.112 0 O-C-N 120.238 -1.539 . . . . 0.0 107.374 166.302 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 244' ' ' ILE . . . . . . . . . . . . . 40.7 mt -137.92 126.45 14.43 Favored Pre-proline 0 C--N 1.267 -3.011 0 C-N-CA 131.062 3.745 . . . . 0.0 107.474 -169.662 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 245' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_exo -48.52 125.39 12.33 Favored 'Trans proline' 0 N--CA 1.426 -2.484 0 N-CA-C 118.258 2.368 . . . . 0.0 118.258 170.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 246' ' ' GLY . . . . . . . . . . . . . . . 76.52 -9.72 20.61 Favored Glycine 0 CA--C 1.558 2.78 0 N-CA-C 117.814 1.886 . . . . 0.0 117.814 169.221 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 247' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -82.19 138.94 34.56 Favored 'General case' 0 C--N 1.325 -0.462 1 C-N-CA 131.846 4.058 . . . . 0.0 115.142 179.156 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 248' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -60.54 124.37 78.36 Favored Pre-proline 0 CA--C 1.484 -1.585 0 C-N-CA 126.445 1.898 . . . . 0.0 112.613 -179.01 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 249' ' ' PRO . . . . . . . . . . . . . 12.8 Cg_endo -50.66 -27.98 21.19 Favored 'Trans proline' 0 N--CA 1.495 1.59 1 CA-C-O 109.772 -4.345 . . . . 0.0 112.753 -178.63 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 250' ' ' ALA . . . . . . . . . . . . . . . -78.71 -28.48 45.12 Favored 'General case' 0 CA--C 1.492 -1.254 1 CA-C-N 129.694 5.679 . . . . 0.0 112.289 169.313 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 251' ' ' ARG . . . . . . . . . . . . . 27.6 ttt180 -69.98 -30.03 67.27 Favored 'General case' 0 N--CA 1.494 1.764 0 CA-C-N 122.875 2.579 . . . . 0.0 112.843 174.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 252' ' ' VAL . . . . . . . . . . . . . 84.5 t -64.99 -45.89 93.23 Favored 'Isoleucine or valine' 0 CA--C 1.607 3.143 0 O-C-N 117.566 -3.209 . . . . 0.0 109.497 170.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 253' ' ' ARG . . . . . . . . . . . . . 18.8 ttm105 -60.53 -30.91 70.05 Favored 'General case' 0 C--N 1.393 2.459 0 O-C-N 128.994 3.934 . . . . 0.0 111.646 176.548 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 254' ' ' SER . . . . . . . . . . . . . 41.9 t -73.61 -36.36 65.49 Favored 'General case' 0 CA--C 1.577 1.986 0 N-CA-C 106.15 -1.796 . . . . 0.0 106.15 -177.688 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 255' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -67.64 -35.2 78.46 Favored 'General case' 0 N--CA 1.499 2.023 0 CA-C-N 121.576 1.989 . . . . 0.0 107.502 -179.611 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 256' ' ' LEU . . . . . . . . . . . . . 86.7 mt -66.43 -6.24 13.83 Favored 'General case' 0 N--CA 1.497 1.905 0 N-CA-C 118.51 2.782 . . . . 0.0 118.51 175.373 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 257' ' ' ARG . . . . . . . . . . . . . 24.5 ttt180 -70.83 -21.88 62.39 Favored 'General case' 0 N--CA 1.436 -1.127 0 CA-C-N 120.292 1.405 . . . . 0.0 109.63 173.338 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 258' ' ' GLY . . . . . . . . . . . . . . . -57.96 -36.11 79.26 Favored Glycine 0 CA--C 1.454 -3.773 0 O-C-N 117.982 -2.949 . . . . 0.0 117.473 163.435 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 259' ' ' MET . . . . . . . . . . . . . 2.1 mpt? -82.49 151.53 26.46 Favored 'General case' 0 C--O 1.268 2.051 0 C-N-CA 126.805 2.042 . . . . 0.0 113.964 -173.451 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 260' ' ' LYS . . . . . . . . . . . . . 18.7 tttt -87.35 -38.57 16.09 Favored 'General case' 0 C--N 1.379 1.854 0 CA-C-O 125.923 2.773 . . . . 0.0 115.798 -166.271 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 261' ' ' TYR . . . . . 0.41 ' HA ' ' HD3' ' C' ' 262' ' ' PRO . 75.5 t80 -71.52 139.66 84.03 Favored Pre-proline 0 CA--C 1.584 2.254 0 CA-C-O 113.945 -2.931 . . . . 0.0 114.131 -172.861 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 262' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' C' ' 261' ' ' TYR . 13.9 Cg_exo -78.36 -37.02 0.81 Allowed 'Trans proline' 0 CA--C 1.504 -1.021 0 CA-C-N 123.013 2.112 . . . . 0.0 114.765 -162.562 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 263' ' ' LEU . . . . . . . . . . . . . 34.4 mt -98.41 29.21 3.71 Favored 'General case' 0 CA--C 1.563 1.473 0 CA-C-N 114.356 -1.293 . . . . 0.0 108.1 -160.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 264' ' ' TRP . . . . . . . . . . . . . 16.8 m95 -60.57 129.21 40.44 Favored 'General case' 0 N--CA 1.436 -1.159 0 C-N-CA 128.322 2.649 . . . . 0.0 111.503 157.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 265' ' ' GLN . . . . . . . . . . . . . 72.8 mt-30 -146.69 155.55 42.51 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-O 123.565 1.65 . . . . 0.0 108.637 -166.064 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 266' ' ' VAL . . . . . . . . . . . . . 99.3 t -86.73 125.71 40.81 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.536 0 O-C-N 119.26 -2.15 . . . . 0.0 109.341 -178.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 267' ' ' GLY . . . . . . . . . . . . . . . 141.31 -146.28 17.37 Favored Glycine 1 N--CA 1.517 4.085 0 N-CA-C 105.887 -2.885 . . . . 0.0 105.887 -178.804 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 268' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -148.55 135.75 20.23 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 127.855 2.462 . . . . 0.0 115.738 -171.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 269' ' ' ILE . . . . . . . . . . . . . 23.6 mm -57.13 -29.09 31.04 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.285 0 N-CA-C 116.162 1.912 . . . . 0.0 116.162 175.42 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 270' ' ' PHE . . . . . . . . . . . . . 63.1 m-85 -89.7 -26.96 20.41 Favored 'General case' 0 C--N 1.318 -0.77 0 O-C-N 117.837 -3.04 . . . . 0.0 113.84 -177.622 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 271' ' ' THR . . . . . . . . . . . . . 96.7 m -63.98 95.55 0.12 Allowed 'General case' 0 CA--C 1.56 1.355 0 N-CA-C 105.13 -2.174 . . . . 0.0 105.13 179.113 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 272' ' ' SER . . . . . . . . . . . . . 70.3 p -76.77 -33.34 58.07 Favored 'General case' 0 C--O 1.254 1.305 0 C-N-CA 128.07 2.548 . . . . 0.0 116.717 -172.581 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 273' ' ' LYS . . . . . . . . . . . . 0.279 95.0 mttt -136.15 144.96 45.31 Favored 'General case' 0 CA--C 1.442 -3.191 0 O-C-N 128.013 3.321 . . . . 0.0 115.31 -172.322 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 274' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -73.25 141.3 47.24 Favored 'General case' 0 C--O 1.195 -1.809 0 CA-C-N 111.65 -2.523 . . . . 0.0 110.442 168.191 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 275' ' ' ASN . . . . . . . . . . . . 0.257 10.6 m-20 55.93 48.5 17.78 Favored 'General case' 0 N--CA 1.479 1.021 0 O-C-N 116.898 -3.626 . . . . 0.0 113.476 172.334 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 276' ' ' SER . . . . . . . . . . . . . 7.4 t -117.05 162.95 16.98 Favored 'General case' 0 CA--C 1.489 -1.396 0 C-N-CA 130.283 3.433 . . . . 0.0 109.852 -161.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 277' ' ' LEU . . . . . . . . . . . . . 84.7 mt -78.75 142.38 37.06 Favored 'General case' 0 N--CA 1.485 1.316 0 CA-C-O 117.638 -1.173 . . . . 0.0 108.849 176.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 278' ' ' ALA . . . . . . . . . . . . . . . -61.78 -22.17 65.2 Favored 'General case' 0 C--O 1.24 0.555 0 N-CA-C 114.853 1.427 . . . . 0.0 114.853 178.441 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 279' ' ' VAL . . . . . . . . . . . . . 13.0 p -55.47 -41.75 64.58 Favored 'Isoleucine or valine' 0 C--O 1.175 -2.852 0 O-C-N 118.304 -2.748 . . . . 0.0 116.586 175.479 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 280' ' ' TYR . . . . . . . . . . . . . 35.0 m-85 -86.55 1.81 50.34 Favored 'General case' 0 N--CA 1.502 2.129 0 N-CA-C 116.051 1.871 . . . . 0.0 116.051 -175.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 281' ' ' ASN . . . . . . . . . . . . . 71.1 m-80 -133.79 -11.59 2.66 Favored 'General case' 0 CA--C 1.568 1.637 0 N-CA-C 117.477 2.399 . . . . 0.0 117.477 -166.524 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 282' ' ' ILE . . . . . . . . . . . . . 46.1 mm -115.22 106.05 51.7 Favored Pre-proline 0 N--CA 1.484 1.251 0 CA-C-N 119.539 1.063 . . . . 0.0 108.93 -177.456 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 283' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -67.86 153.0 76.66 Favored 'Trans proline' 0 CA--C 1.541 0.875 0 C-N-CA 125.149 3.899 . . . . 0.0 112.741 -170.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 284' ' ' LEU . . . . . . . . . . . . . 26.3 mt -92.74 37.97 1.02 Allowed 'General case' 0 CA--C 1.504 -0.799 0 CA-C-O 124.982 2.325 . . . . 0.0 116.931 -169.229 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 285' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -49.0 149.54 3.24 Favored Pre-proline 0 CA--C 1.606 3.126 1 C-N-CA 132.253 4.221 . . . . 0.0 114.612 175.673 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 286' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_endo -82.74 138.58 9.47 Favored 'Trans proline' 0 C--O 1.268 1.983 0 O-C-N 123.576 1.303 . . . . 0.0 112.255 -178.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 287' ' ' ASP . . . . . . . . . . . . . 38.3 m-20 52.44 13.19 0.28 Allowed 'General case' 0 N--CA 1.482 1.134 0 N-CA-C 121.376 3.843 . . . . 0.0 121.376 177.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 288' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -74.26 131.32 80.87 Favored Pre-proline 0 C--N 1.289 -2.039 0 C-N-CA 126.744 2.018 . . . . 0.0 115.128 159.396 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 289' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -53.42 -32.52 62.71 Favored 'Trans proline' 0 C--N 1.365 1.401 0 C-N-CA 125.194 3.929 . . . . 0.0 114.881 169.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 290' ' ' LYS . . . . . 0.496 ' HE3' ' CD1' ' C' ' 192' ' ' PHE . 8.1 mtmp? -73.23 -47.16 45.69 Favored 'General case' 0 N--CA 1.529 3.523 0 CA-C-N 121.938 2.153 . . . . 0.0 108.989 -179.788 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 291' ' ' ALA . . . . . . . . . . . . . . . -63.52 -43.22 97.79 Favored 'General case' 0 C--O 1.261 1.708 0 C-N-CA 124.581 1.152 . . . . 0.0 109.42 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 292' ' ' ARG . . . . . . . . . . . . . 39.6 ttm180 -60.66 -48.55 81.3 Favored 'General case' 0 C--O 1.205 -1.278 0 CA-C-O 115.143 -2.36 . . . . 0.0 106.403 172.064 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 293' ' ' PHE . . . . . 0.401 ' CD1' ' CE1' ' C' ' 311' ' ' PHE . 1.9 t80 -61.54 -23.49 65.99 Favored 'General case' 0 CA--C 1.575 1.942 0 CA-C-N 124.291 3.223 . . . . 0.0 114.953 176.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 294' ' ' ILE . . . . . . . . . . . . . 17.6 mm -71.95 -27.22 26.85 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.926 0 O-C-N 125.386 1.679 . . . . 0.0 110.505 173.28 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 295' ' ' HIS . . . . . . . . . . . . 0.306 50.4 t-80 -75.07 -51.94 12.27 Favored 'General case' 0 N--CA 1.411 -2.388 0 O-C-N 127.355 2.91 . . . . 0.0 107.395 175.557 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 296' ' ' GLN . . . . . . . . . . . . . 69.0 mt-30 -60.97 -29.92 69.96 Favored 'General case' 0 CA--C 1.569 1.702 1 O-C-N 113.046 -6.034 . . . . 0.0 111.455 173.388 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 297' ' ' LEU . . . . . . . . . . . . . 40.6 mt -74.97 -15.9 60.65 Favored 'General case' 0 C--O 1.189 -2.081 0 O-C-N 125.325 1.641 . . . . 0.0 111.763 170.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 298' ' ' ALA . . . . . . . . . . . . . . . -82.05 -30.84 31.18 Favored 'General case' 0 N--CA 1.474 0.738 0 O-C-N 116.359 -3.963 . . . . 0.0 118.477 160.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 299' ' ' GLU . . . . . . . . . . . . . 27.2 tp10 -73.54 -46.88 44.97 Favored 'General case' 0 CA--C 1.506 -0.741 0 CA-C-O 126.375 2.988 . . . . 0.0 110.049 175.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 300' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -60.35 -21.86 62.58 Favored 'General case' 0 C--N 1.36 1.063 1 O-C-N 115.336 -4.602 . . . . 0.0 114.348 159.27 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' C' C ' 301' ' ' ASP . . . . . . . . . . . . 0.29 20.3 t0 48.19 50.33 16.39 Favored 'General case' 0 C--O 1.277 2.525 0 CA-C-N 120.162 1.347 . . . . 0.0 114.343 -169.023 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 302' ' ' ARG . . . . . . . . . . . . 0.283 19.3 ttp-105 -97.77 0.03 46.16 Favored 'General case' 0 N--CA 1.45 -0.463 0 O-C-N 117.542 -3.224 . . . . 0.0 113.192 167.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 303' ' ' LEU . . . . . . . . . . . . . 49.1 tp -71.58 -29.86 65.18 Favored 'General case' 0 N--CA 1.537 3.906 0 N-CA-C 114.986 1.476 . . . . 0.0 114.986 -153.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 304' ' ' LEU . . . . . . . . . . . . . 16.9 mt -71.09 4.2 2.9 Favored 'General case' 0 C--O 1.27 2.137 0 N-CA-C 115.548 1.684 . . . . 0.0 115.548 169.349 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 305' ' ' LYS . . . . . . . . . . . . . 49.0 mtpt -132.0 -21.16 2.42 Favored 'General case' 0 C--O 1.275 2.421 0 O-C-N 125.588 1.805 . . . . 0.0 107.861 -171.333 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 306' ' ' VAL . . . . . . . . . . . . . 3.2 p -76.72 117.05 20.87 Favored 'Isoleucine or valine' 1 C--O 1.152 -4.045 0 CA-C-O 126.481 3.038 . . . . 0.0 115.41 -171.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 307' ' ' SER . . . . . . . . . . . . . 1.5 t -70.32 152.67 43.9 Favored 'General case' 0 C--O 1.248 1.024 0 O-C-N 118.537 -2.602 . . . . 0.0 117.436 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 308' ' ' LEU . . . . . . . . . . . . . 7.2 tt -74.73 -40.05 61.5 Favored 'General case' 0 C--N 1.296 -1.729 0 O-C-N 116.808 -3.683 . . . . 0.0 111.934 -174.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 309' ' ' SER . . . . . . . . . . . . . 31.0 p -48.4 -52.74 20.5 Favored 'General case' 0 N--CA 1.419 -2.017 0 C-N-CA 123.676 0.791 . . . . 0.0 111.602 167.623 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 310' ' ' SER . . . . . . . . . . . . . 38.8 t -63.54 -29.44 70.71 Favored 'General case' 0 C--O 1.214 -0.77 0 N-CA-C 115.679 1.733 . . . . 0.0 115.679 -179.237 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 311' ' ' PHE . . . . . 0.401 ' CE1' ' CD1' ' C' ' 293' ' ' PHE . 23.4 t80 -72.62 -45.65 58.01 Favored 'General case' 0 C--O 1.281 2.755 0 CA-C-N 114.039 -1.437 . . . . 0.0 111.763 172.528 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 312' ' ' TRP . . . . . . . . . . . . . 73.6 m95 -65.43 -21.81 66.7 Favored 'General case' 0 C--O 1.276 2.476 1 N-CA-C 121.921 4.045 . . . . 0.0 121.921 169.48 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 313' ' ' ILE . . . . . . . . . . . . 0.25 59.9 mt -77.72 -43.95 29.18 Favored 'Isoleucine or valine' 0 CA--C 1.565 1.528 0 N-CA-C 106.89 -1.522 . . . . 0.0 106.89 176.575 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 314' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -56.78 -42.6 79.73 Favored 'General case' 0 CA--C 1.486 -1.513 0 CA-C-O 116.959 -1.496 . . . . 0.0 111.781 166.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 315' ' ' LEU . . . . . . . . . . . . . 79.2 mt -57.92 -32.78 68.1 Favored 'General case' 1 N--CA 1.542 4.165 1 CA-C-N 126.419 4.19 . . . . 0.0 115.643 169.228 . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' C' C ' 316' ' ' GLN . . . . . . . . . . . . . 41.9 tp60 -68.62 -57.63 5.44 Favored 'General case' 0 N--CA 1.503 2.178 0 CA-C-N 119.34 0.973 . . . . 0.0 110.962 172.004 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 317' ' ' GLU . . . . . . . . . . . . . 23.1 mm-40 -68.28 -37.06 80.3 Favored 'General case' 0 N--CA 1.498 1.935 0 CA-C-O 114.519 -2.658 . . . . 0.0 113.524 -169.611 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 318' ' ' ARG . . . . . . . . . . . . . 55.4 mtp180 -91.75 92.49 8.43 Favored 'General case' 0 N--CA 1.526 3.332 0 CA-C-O 123.275 1.512 . . . . 0.0 108.646 -171.685 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 319' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -61.04 -17.48 52.59 Favored 'General case' 0 N--CA 1.519 3.0 0 C-N-CA 127.189 2.196 . . . . 0.0 110.21 171.061 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 320' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -68.97 -27.34 65.63 Favored 'General case' 0 CA--C 1.57 1.747 0 O-C-N 125.793 1.933 . . . . 0.0 111.92 -179.444 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 321' ' ' PHE . . . . . . . . . . . . . 42.2 m-85 -66.89 -17.51 64.93 Favored 'General case' 0 CA--C 1.495 -1.137 0 C-N-CA 129.621 3.168 . . . . 0.0 110.939 175.356 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 322' ' ' LYS . . . . . . . . . . . . 0.355 26.4 tptt 51.41 60.64 3.72 Favored 'General case' 0 N--CA 1.414 -2.264 1 C-N-CA 133.678 4.791 . . . . 0.0 112.773 176.517 . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' C' C ' 323' ' ' LEU . . . . . . . . . . . . . 59.7 mt -83.59 -25.64 30.72 Favored 'General case' 0 C--N 1.291 -1.953 0 N-CA-C 116.966 2.21 . . . . 0.0 116.966 178.062 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 324' ' ' SER . . . . . . . . . . . . . 14.8 t 63.82 168.17 0.15 Allowed 'General case' 0 N--CA 1.432 -1.359 0 C-N-CA 128.058 2.543 . . . . 0.0 110.561 -173.101 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 325' ' ' VAL . . . . . . . . . . . . . 59.7 t -77.8 154.19 5.28 Favored 'Isoleucine or valine' 0 CA--C 1.574 1.88 0 O-C-N 116.934 -3.604 . . . . 0.0 109.931 -173.257 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 326' ' ' THR . . . . . . . . . . . . 0.411 5.3 m 46.34 40.06 7.25 Favored 'General case' 1 N--CA 1.547 4.384 0 CA-C-N 111.738 -2.483 . . . . 0.0 112.638 -167.809 . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' C' C ' 327' ' ' SER . . . . . . . . . . . . . 34.8 t -57.39 156.55 7.67 Favored 'General case' 0 CA--C 1.588 2.439 0 N-CA-C 108.747 -0.835 . . . . 0.0 108.747 162.337 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 328' ' ' SER . . . . . . . . . . . . . 24.0 p -149.82 140.53 22.65 Favored 'General case' 0 C--O 1.282 2.807 0 N-CA-C 120.23 3.419 . . . . 0.0 120.23 176.145 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 329' ' ' VAL . . . . . . . . . . . . . 92.7 t -91.85 120.93 41.82 Favored 'Isoleucine or valine' 0 C--O 1.266 1.935 0 CA-C-O 124.976 2.322 . . . . 0.0 107.015 159.371 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 330' ' ' MET . . . . . . . . . . . . . 21.4 ptp -129.21 158.84 37.91 Favored 'General case' 0 C--O 1.264 1.82 0 O-C-N 118.615 -2.553 . . . . 0.0 115.246 171.09 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 331' ' ' GLY . . . . . . . . . . . . . . . -175.51 174.06 46.61 Favored Glycine 0 N--CA 1.413 -2.855 0 O-C-N 119.464 -2.023 . . . . 0.0 112.511 178.075 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 72.1 mt -126.62 158.59 36.84 Favored 'Isoleucine or valine' 0 N--CA 1.515 2.806 0 CA-C-O 115.736 -2.078 . . . . 0.0 106.656 174.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 333' ' ' SER . . . . . . . . . . . . . 41.2 t -144.21 132.03 21.38 Favored 'General case' 0 CA--C 1.471 -2.062 0 C-N-CA 126.5 1.92 . . . . 0.0 114.105 152.461 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 161.69 -158.94 30.85 Favored Glycine 0 C--N 1.282 -2.444 0 N-CA-C 119.264 2.466 . . . . 0.0 119.264 172.468 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 335' ' ' TYR . . . . . . . . . . . . . 49.8 m-85 -95.14 124.54 39.24 Favored 'General case' 0 C--O 1.255 1.381 0 CA-C-N 121.369 2.584 . . . . 0.0 113.293 -178.301 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 336' ' ' SER . . . . . . . . . . . . . 88.4 p -57.35 145.06 33.69 Favored 'General case' 0 CA--C 1.627 3.905 0 CA-C-N 122.718 2.508 . . . . 0.0 111.054 171.51 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 337' ' ' LEU . . . . . . . . . . . . . 10.9 tp -57.77 -33.01 68.06 Favored 'General case' 0 N--CA 1.517 2.916 0 CA-C-O 124.001 1.858 . . . . 0.0 111.101 -171.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 338' ' ' ALA . . . . . . . . . . . . . . . -124.81 159.31 31.3 Favored 'General case' 0 C--O 1.244 0.778 0 O-C-N 119.287 -2.133 . . . . 0.0 115.542 165.718 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 339' ' ' THR . . . . . . . . . . . . . 16.5 m -76.85 140.84 67.51 Favored Pre-proline 0 N--CA 1.412 -2.35 0 O-C-N 125.476 1.735 . . . . 0.0 113.047 179.283 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 340' ' ' PRO . . . . . . . . . . . . . 44.8 Cg_endo -70.29 171.74 14.46 Favored 'Trans proline' 0 CA--C 1.592 3.401 0 C-N-CA 121.705 1.603 . . . . 0.0 110.953 -179.307 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 341' ' ' SER . . . . . . . . . . . . 0.28 12.5 p -158.61 -17.56 0.07 Allowed 'General case' 0 N--CA 1.527 3.417 0 N-CA-C 117.512 2.412 . . . . 0.0 117.512 -175.621 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 342' ' ' LEU . . . . . . . . . . . . . 41.6 mt -72.78 157.34 37.69 Favored 'General case' 0 CA--C 1.574 1.873 0 C-N-CA 112.873 -3.531 . . . . 0.0 110.71 -168.471 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 343' ' ' PHE . . . . . . . . . . . . . 26.9 m-85 -138.0 89.85 14.42 Favored Pre-proline 0 N--CA 1.494 1.757 0 CA-C-N 108.497 -3.956 . . . . 0.0 101.601 158.377 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 344' ' ' PRO . . . . . . . . . . . . . 81.1 Cg_exo -64.65 143.01 79.64 Favored 'Trans proline' 0 C--O 1.253 1.233 0 N-CA-C 116.974 1.875 . . . . 0.0 116.974 -169.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 345' ' ' SER . . . . . . . . . . . . . 10.2 p -75.96 173.2 11.53 Favored 'General case' 0 N--CA 1.422 -1.872 0 O-C-N 127.892 3.245 . . . . 0.0 111.252 -176.228 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 346' ' ' SER . . . . . . . . . . . . . 30.3 t -55.67 -25.91 42.0 Favored 'General case' 0 C--O 1.19 -2.043 0 C-N-CA 131.364 3.866 . . . . 0.0 114.366 159.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -91.85 -9.43 43.4 Favored 'General case' 0 CA--C 1.588 2.413 0 CA-C-O 114.08 -2.867 . . . . 0.0 108.29 176.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 348' ' ' ASP . . . . . . . . . . . . . 46.5 m-20 -89.16 -26.12 21.46 Favored 'General case' 0 C--O 1.212 -0.917 0 CA-C-N 122.816 2.553 . . . . 0.0 115.527 163.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 349' ' ' VAL . . . . . . . . . . . . . 7.1 p -171.03 130.99 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.368 1.405 0 O-C-N 120.355 -1.466 . . . . 0.0 111.352 -165.136 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 350' ' ' ILE . . . . . . . . . . . . . 51.4 mt -78.72 135.66 25.45 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.033 0 N-CA-C 107.299 -1.371 . . . . 0.0 107.299 172.502 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 351' ' ' VAL . . . . . . . . . . . . . 61.0 t -127.25 79.6 72.91 Favored Pre-proline 0 C--O 1.25 1.125 0 N-CA-C 105.228 -2.138 . . . . 0.0 105.228 -176.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 352' ' ' PRO . . . . . . . . . . . . 0.267 26.7 Cg_endo -67.78 145.36 68.76 Favored 'Trans proline' 0 CA--C 1.586 3.108 1 C-N-CA 125.531 4.154 . . . . 0.0 109.516 -173.072 . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' C' C ' 353' ' ' LYS . . . . . . . . . . . . . 49.4 mtpt -77.5 15.64 0.76 Allowed 'General case' 0 C--N 1.366 1.313 0 O-C-N 118.881 -2.387 . . . . 0.0 114.708 -174.341 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 354' ' ' SER . . . . . . . . . . . . . 3.0 t -163.93 144.74 8.61 Favored 'General case' 0 C--O 1.209 -1.03 0 CA-C-N 122.754 2.524 . . . . 0.0 112.222 174.642 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 355' ' ' ARG . . . . . . . . . . . . . 79.6 mtm180 -60.15 -33.06 71.64 Favored 'General case' 0 N--CA 1.495 1.798 0 C-N-CA 127.707 2.403 . . . . 0.0 112.371 170.332 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 356' ' ' LYS . . . . . . . . . . . . . 76.4 mttt -65.42 -48.51 72.53 Favored 'General case' 0 N--CA 1.513 2.692 0 O-C-N 118.434 -2.666 . . . . 0.0 113.028 168.359 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 357' ' ' GLN . . . . . . . . . . . . . 9.9 tp60 -54.0 -51.57 63.5 Favored 'General case' 0 C--O 1.262 1.732 0 O-C-N 121.633 -0.667 . . . . 0.0 109.215 174.372 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 358' ' ' PHE . . . . . . . . . . . . . 36.9 t80 -55.48 -47.8 75.58 Favored 'General case' 0 C--O 1.259 1.572 0 O-C-N 118.433 -2.667 . . . . 0.0 116.957 179.108 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 359' ' ' ARG . . . . . . . . . . . . 0.253 79.3 mtm-85 -43.94 -51.39 7.67 Favored 'General case' 0 C--N 1.366 1.323 0 CA-C-O 122.175 0.988 . . . . 0.0 113.443 160.328 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 360' ' ' ALA . . . . . . . . . . . . . . . -68.15 -31.85 71.71 Favored 'General case' 0 C--O 1.177 -2.737 0 O-C-N 119.074 -2.266 . . . . 0.0 113.193 -170.551 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 361' ' ' ILE . . . . . . . . . . . . . 58.3 mt -67.94 -33.87 63.84 Favored 'Isoleucine or valine' 0 N--CA 1.409 -2.51 0 CA-C-O 115.958 -1.972 . . . . 0.0 109.378 177.389 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 362' ' ' LYS . . . . . . . . . . . . . 51.0 mtpt -70.22 -52.83 20.21 Favored 'General case' 0 CA--C 1.567 1.617 0 CA-C-O 124.463 2.077 . . . . 0.0 109.703 174.031 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 363' ' ' LYS . . . . . . . . . . . . . 17.4 tptm -54.52 -38.86 67.02 Favored 'General case' 0 C--O 1.294 3.446 0 O-C-N 119.088 -2.257 . . . . 0.0 111.772 -177.62 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 364' ' ' TYR . . . . . . . . . . . . 0.253 43.3 m-85 -44.98 -37.0 3.69 Favored 'General case' 0 N--CA 1.492 1.666 1 N-CA-C 121.987 4.069 . . . . 0.0 121.987 164.354 . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' C' C ' 365' ' ' ILE . . . . . . . . . . . . . 3.0 mp -92.92 -54.12 7.69 Favored 'Isoleucine or valine' 1 N--CA 1.54 4.04 0 O-C-N 118.7 -2.5 . . . . 0.0 114.43 166.57 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 366' ' ' THR . . . . . . . . . . . . . 70.2 p -84.79 4.45 32.89 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-O 117.564 -1.208 . . . . 0.0 112.73 -165.266 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 367' ' ' GLY . . . . . . . . . . . . . . . -96.49 -20.18 25.56 Favored Glycine 0 CA--C 1.544 1.871 0 CA-C-O 116.853 -2.081 . . . . 0.0 109.161 175.213 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 368' ' ' GLU . . . . . . . . . . . . . 14.4 tp10 -76.48 162.72 27.59 Favored 'General case' 0 CA--C 1.556 1.183 0 CA-C-N 120.326 2.063 . . . . 0.0 111.146 -169.055 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 369' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -98.49 96.3 7.9 Favored 'General case' 0 N--CA 1.499 2.01 0 O-C-N 116.767 -3.708 . . . . 0.0 116.571 -177.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 370' ' ' TYR . . . . . . . . . . . . 0.321 54.9 m-85 -77.22 20.37 0.28 Allowed 'General case' 0 N--CA 1.529 3.522 0 CA-C-N 113.549 -1.66 . . . . 0.0 112.243 -167.624 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 371' ' ' ASP . . . . . . . . . . . . 0.267 38.3 t0 -59.55 -8.47 1.93 Allowed 'General case' 0 C--O 1.287 3.03 0 O-C-N 118.475 -2.641 . . . . 0.0 110.226 173.08 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 372' ' ' THR . . . . . . . . . . . . . 9.2 t -153.63 154.89 35.03 Favored 'General case' 0 C--O 1.213 -0.848 0 C-N-CA 129.233 3.013 . . . . 0.0 111.25 -163.066 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 373' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -62.79 -19.38 63.97 Favored 'General case' 0 N--CA 1.477 0.895 0 CA-C-O 126.244 2.926 . . . . 0.0 115.196 173.233 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 374' ' ' GLU . . . . . . . . . . . . . 62.4 mt-10 -79.73 -5.72 55.79 Favored 'General case' 0 N--CA 1.434 -1.266 0 O-C-N 118.32 -2.737 . . . . 0.0 111.325 -173.65 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 375' ' ' GLY . . . . . . . . . . . . . . . -84.58 -48.76 4.87 Favored Glycine 0 C--O 1.263 1.954 0 N-CA-C 107.259 -2.336 . . . . 0.0 107.259 176.443 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 376' ' ' ALA . . . . . . . . . . . . . . . -60.15 -31.21 69.88 Favored 'General case' 0 N--CA 1.493 1.688 0 CA-C-O 115.37 -2.252 . . . . 0.0 111.34 172.544 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 377' ' ' ILE . . . . . . . . . . . . . 99.1 mt -73.24 -39.49 56.17 Favored 'Isoleucine or valine' 0 CA--C 1.489 -1.401 0 CA-C-N 122.292 2.315 . . . . 0.0 113.34 174.091 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 378' ' ' GLU . . . . . 0.545 ' HG2' ' HE3' ' A' ' 177' ' ' LYS . 44.2 tp10 -71.3 -40.43 70.83 Favored 'General case' 0 CA--C 1.581 2.171 0 CA-C-O 121.258 0.551 . . . . 0.0 111.322 177.2 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 379' ' ' ALA . . . . . . . . . . . . . . . -55.64 -21.26 17.02 Favored 'General case' 0 N--CA 1.48 1.06 0 O-C-N 118.772 -2.455 . . . . 0.0 113.192 174.544 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 380' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -99.18 -47.95 5.02 Favored 'General case' 0 CA--C 1.597 2.752 0 C-N-CA 117.348 -1.741 . . . . 0.0 114.338 170.342 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 381' ' ' THR . . . . . . . . . . . . . 50.3 p -60.38 -27.35 67.34 Favored 'General case' 1 N--CA 1.554 4.749 0 O-C-N 119.852 -1.78 . . . . 0.0 110.556 179.484 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 382' ' ' ASN . . . . . . . . . . . . . 27.0 t30 -83.36 -41.3 18.34 Favored 'General case' 0 C--N 1.387 2.203 0 O-C-N 119.098 -2.251 . . . . 0.0 112.94 -173.485 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 383' ' ' ILE . . . . . . . . . . . . . 6.9 tp -67.69 -41.93 85.89 Favored 'Isoleucine or valine' 0 C--O 1.273 2.315 0 O-C-N 120.723 -1.235 . . . . 0.0 113.323 169.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 384' ' ' ARG . . . . . . . . . . . . . 42.3 ttp180 -43.77 -70.56 0.1 Allowed 'General case' 0 CA--C 1.587 2.366 0 C-N-CA 126.815 2.046 . . . . 0.0 108.047 172.178 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 385' ' ' ASP . . . . . . . . . . . . . 71.5 m-20 -64.31 -26.14 68.36 Favored 'General case' 0 CA--C 1.592 2.577 0 O-C-N 120.722 -1.236 . . . . 0.0 108.841 -173.008 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 386' ' ' PHE . . . . . . . . . . . . . 36.5 t80 -57.89 -63.7 1.16 Allowed 'General case' 0 CA--C 1.573 1.855 0 O-C-N 118.652 -2.53 . . . . 0.0 114.439 167.292 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 387' ' ' LEU . . . . . . . . . . . . . 62.0 mt -59.52 -27.58 66.31 Favored 'General case' 0 CA--C 1.592 2.595 0 CA-C-O 116.824 -1.56 . . . . 0.0 111.526 -179.094 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 388' ' ' LEU . . . . . . . . . . . . . 64.0 tp -79.44 -44.4 21.44 Favored 'General case' 0 N--CA 1.493 1.72 0 N-CA-C 117.464 2.394 . . . . 0.0 117.464 173.568 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 389' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -86.51 -8.24 57.73 Favored 'General case' 0 N--CA 1.507 2.413 0 N-CA-C 117.273 2.323 . . . . 0.0 117.273 176.386 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 390' ' ' ARG . . . . . . . . . . . . 0.319 74.2 mmt-85 -118.63 2.5 11.72 Favored 'General case' 0 C--N 1.379 1.889 1 N-CA-C 122.078 4.103 . . . . 0.0 122.078 168.307 . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' C' C ' 391' ' ' MET . . . . . . . . . . . . 0.251 15.8 ttt -157.9 5.36 0.13 Allowed 'General case' 0 CA--C 1.595 2.699 0 N-CA-C 114.078 1.14 . . . . 0.0 114.078 -176.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 392' ' ' ALA . . . . . . . . . . . . . . . 41.71 32.84 0.28 Allowed 'General case' 0 C--O 1.27 2.149 0 N-CA-C 116.035 1.865 . . . . 0.0 116.035 -166.5 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 393' ' ' THR . . . . . . . . . . . . . 5.1 m -115.73 151.34 35.3 Favored 'General case' 0 CA--C 1.598 2.801 1 O-C-N 116.047 -4.158 . . . . 0.0 113.491 -165.301 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 394' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 -88.59 159.55 17.84 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 130.397 3.479 . . . . 0.0 111.478 164.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 395' ' ' LEU . . . . . . . . . . . . . 48.2 mt -64.17 151.32 43.7 Favored 'General case' 0 C--O 1.261 1.667 0 CA-C-N 119.284 0.947 . . . . 0.0 110.667 155.653 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 396' ' ' GLN . . . . . . . . . . . . . 94.9 mm-40 -70.4 147.33 49.64 Favored 'General case' 0 C--N 1.403 2.927 0 O-C-N 118.969 -2.332 . . . . 0.0 114.262 165.393 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 397' ' ' SER . . . . . . . . . . . . . 22.8 t -141.6 144.23 34.1 Favored 'General case' 0 N--CA 1.529 3.486 0 O-C-N 125.864 1.977 . . . . 0.0 112.096 -176.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 398' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -164.5 143.33 7.13 Favored 'General case' 0 C--N 1.274 -2.705 0 CA-C-O 125.976 2.798 . . . . 0.0 115.677 -175.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 399' ' ' THR . . . . . . . . . . . . . 30.5 m -78.18 137.0 37.93 Favored 'General case' 0 N--CA 1.495 1.776 0 C-N-CA 127.737 2.415 . . . . 0.0 111.918 173.275 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 400' ' ' GLY . . . . . . . . . . . . . . . -83.28 166.76 44.41 Favored Glycine 0 N--CA 1.479 1.518 0 CA-C-O 127.385 3.769 . . . . 0.0 115.109 171.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 401' ' ' LYS . . . . . . . . . . . . . 79.5 mttt -124.12 -15.16 6.88 Favored 'General case' 0 CA--C 1.479 -1.778 0 N-CA-C 118.387 2.736 . . . . 0.0 118.387 -165.015 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 402' ' ' ARG . . . . . . . . . . . . . 41.3 ttp180 -89.23 110.42 21.19 Favored 'General case' 0 N--CA 1.415 -2.179 0 C-N-CA 124.371 1.068 . . . . 0.0 113.333 -164.633 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 403' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -75.02 154.68 37.9 Favored 'General case' 0 CA--C 1.556 1.207 0 N-CA-C 118.39 2.737 . . . . 0.0 118.39 175.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 404' ' ' HIS . . . . . . . . . . . . . 81.4 t60 -87.82 60.82 6.1 Favored 'General case' 0 C--O 1.256 1.4 0 O-C-N 119.68 -1.887 . . . . 0.0 107.274 173.281 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 405' ' ' ARG . . . . . . . . . . . . . 7.9 ptm180 -169.11 145.58 3.45 Favored 'General case' 0 C--N 1.289 -2.05 0 C-N-CA 127.179 2.192 . . . . 0.0 114.558 178.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 406' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -133.19 158.97 41.53 Favored 'General case' 0 C--O 1.257 1.449 0 CA-C-O 123.966 1.841 . . . . 0.0 110.128 -174.134 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 407' ' ' ARG . . . . . . . . . . . . . 33.5 ptt180 -119.57 -21.9 7.17 Favored 'General case' 0 C--O 1.266 1.938 0 CA-C-O 115.438 -2.22 . . . . 0.0 113.029 173.068 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 408' ' ' ASN . . . . . . . . . . . . . 24.0 t-20 -119.29 -22.36 7.14 Favored 'General case' 0 N--CA 1.479 0.999 0 N-CA-C 117.521 2.415 . . . . 0.0 117.521 177.524 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 409' ' ' GLN . . . . . . . . . . . . . 43.4 mm-40 -88.11 156.58 51.75 Favored Pre-proline 0 C--N 1.307 -1.244 0 O-C-N 119.003 -2.311 . . . . 0.0 114.073 173.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 410' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -81.1 -9.43 12.85 Favored 'Trans proline' 0 CA--C 1.559 1.75 0 C-N-CA 121.309 1.339 . . . . 0.0 113.749 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 411' ' ' VAL . . . . . . . . . . . . . 5.5 p -155.5 138.55 10.68 Favored Pre-proline 0 N--CA 1.505 2.313 0 N-CA-C 104.975 -2.232 . . . . 0.0 104.975 -179.703 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 412' ' ' PRO . . . . . . . . . . . . 0.251 56.6 Cg_endo -62.54 156.58 51.41 Favored 'Trans proline' 0 C--N 1.374 1.901 0 C-N-CA 120.851 1.034 . . . . 0.0 112.083 169.661 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 413' ' ' ALA . . . . . . . . . . . . . . . -76.83 -33.69 57.92 Favored 'General case' 0 N--CA 1.5 2.028 0 CA-C-O 123.261 1.505 . . . . 0.0 114.899 175.624 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 414' ' ' SER . . . . . . . . . . . . . 19.6 m -80.52 26.63 0.38 Allowed 'General case' 0 C--O 1.264 1.838 0 CA-C-N 112.341 -2.208 . . . . 0.0 109.812 -165.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 415' ' ' ASN . . . . . . . . . . . . . 17.1 p30 -82.47 -170.21 2.83 Favored 'General case' 0 N--CA 1.418 -2.044 0 O-C-N 119.804 -1.81 . . . . 0.0 115.071 -172.51 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 416' ' ' ILE . . . . . . . . . . . . . 14.5 tt -50.54 -21.34 1.12 Allowed 'Isoleucine or valine' 0 CA--C 1.564 1.497 0 N-CA-C 121.436 3.865 . . . . 0.0 121.436 -176.3 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 417' ' ' ASN . . . . . . . . . . . . . 60.4 m-80 -74.39 -2.99 27.8 Favored 'General case' 0 CA--C 1.595 2.681 0 CA-C-N 115.116 -0.947 . . . . 0.0 113.487 175.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 418' ' ' THR . . . . . . . . . . . . 0.369 80.5 p . . . . . 0 CA--C 1.46 -2.507 0 O-C-N 127.132 2.77 . . . . 0.0 113.12 178.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 1' ' ' SER . . . . . . . . . . . . . 68.6 p . . . . . 0 C--O 1.192 -1.971 0 CA-C-O 122.479 1.133 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' D' D ' 2' ' ' SER . . . . . . . . . . . . . 59.5 p -59.35 145.55 42.94 Favored 'General case' 0 CA--C 1.563 1.471 0 O-C-N 117.454 -3.279 . . . . 0.0 112.53 172.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 3' ' ' ILE . . . . . . . . . . . . . 28.1 mm -79.77 -45.74 22.9 Favored 'Isoleucine or valine' 0 C--O 1.197 -1.708 0 O-C-N 121.04 -1.037 . . . . 0.0 112.381 -177.031 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 4' ' ' VAL . . . . . . . . . . . . . 39.8 t -93.47 144.36 9.65 Favored 'Isoleucine or valine' 0 C--O 1.263 1.81 0 CA-C-O 126.883 3.23 . . . . 0.0 108.479 166.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 5' ' ' SER . . . . . . . . . . . . . 28.2 t -157.1 154.61 29.69 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 117.475 -3.266 . . . . 0.0 107.969 -174.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 6' ' ' LEU . . . . . . . . . . . . . 18.3 tp -94.7 116.62 28.97 Favored 'General case' 0 CA--C 1.575 1.912 0 C-N-CA 128.218 2.607 . . . . 0.0 113.555 -178.336 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 7' ' ' LEU . . . . . . . . . . . . . 16.3 mt -84.03 -34.68 24.22 Favored 'General case' 0 N--CA 1.522 3.139 0 O-C-N 118.429 -2.669 . . . . 0.0 111.842 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 8' ' ' GLY . . . . . . . . . . . . . . . 172.34 178.63 42.66 Favored Glycine 0 N--CA 1.415 -2.728 0 CA-C-O 124.205 2.003 . . . . 0.0 113.95 160.208 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 9' ' ' ILE . . . . . . . . . . . . . 12.1 mt -137.93 138.47 43.83 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.475 0 O-C-N 119.482 -2.187 . . . . 0.0 115.868 175.663 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 10' ' ' LYS . . . . . . . . . . . . . 25.9 pttt -126.83 146.88 50.1 Favored 'General case' 0 C--O 1.178 -2.669 0 CA-C-O 116.009 -1.948 . . . . 0.0 115.568 172.025 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 11' ' ' VAL . . . . . . . . . . . . . 21.7 t -105.17 112.3 38.18 Favored 'Isoleucine or valine' 0 CA--C 1.593 2.634 0 CA-C-O 114.576 -2.63 . . . . 0.0 113.374 -171.137 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 12' ' ' LEU . . . . . . . . . . . . . 74.5 mt -78.04 -33.12 51.17 Favored 'General case' 0 N--CA 1.536 3.847 0 O-C-N 126.754 2.534 . . . . 0.0 111.631 -161.652 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 13' ' ' ASN . . . . . . . . . . . . 0.282 26.8 p-10 -124.04 82.14 1.99 Allowed 'General case' 0 C--N 1.272 -2.763 0 O-C-N 125.419 1.7 . . . . 0.0 113.048 -167.88 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 14' ' ' ASN . . . . . 0.408 ' OD1' ' HA ' ' D' ' 15' ' ' PRO . 12.9 t30 -152.33 155.43 33.04 Favored Pre-proline 0 CA--C 1.575 1.914 0 N-CA-C 114.283 1.216 . . . . 0.0 114.283 174.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 15' ' ' PRO . . . . . 0.408 ' HA ' ' OD1' ' D' ' 14' ' ' ASN . 73.6 Cg_endo -66.31 155.56 81.55 Favored 'Cis proline' 0 CA--C 1.465 -2.974 0 CA-C-N 119.937 1.013 . . . . 0.0 110.924 -12.145 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 16' ' ' ALA . . . . . . . . . . . . . . . -147.62 177.77 9.01 Favored 'General case' 0 C--N 1.31 -1.119 0 CA-C-O 123.176 1.465 . . . . 0.0 113.716 -168.431 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 17' ' ' LYS . . . . . . . . . . . . . 50.5 mtpt -61.55 146.99 46.96 Favored 'General case' 0 C--O 1.203 -1.393 0 O-C-N 117.51 -3.244 . . . . 0.0 105.037 171.586 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 18' ' ' PHE . . . . . . . . . . . . 0.257 51.2 t80 -47.88 -43.91 29.03 Favored 'General case' 0 C--O 1.246 0.883 0 N-CA-C 115.023 1.49 . . . . 0.0 115.023 156.768 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 19' ' ' THR . . . . . . . . . . . . . 31.9 p -87.45 8.96 22.42 Favored 'General case' 0 N--CA 1.524 3.233 0 O-C-N 126.093 2.121 . . . . 0.0 111.057 -175.144 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 20' ' ' ASP . . . . . . . . . . . . . 90.3 m-20 -79.98 145.45 61.36 Favored Pre-proline 0 N--CA 1.497 1.903 0 CA-C-O 115.708 -2.091 . . . . 0.0 109.787 165.207 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 21' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_exo -56.68 158.87 15.22 Favored 'Trans proline' 0 CA--C 1.546 1.119 0 C-N-CA 122.687 2.258 . . . . 0.0 114.052 164.237 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 22' ' ' TYR . . . . . . . . . . . . . 57.1 m-85 -102.45 100.3 10.42 Favored 'General case' 0 N--CA 1.397 -3.103 0 C-N-CA 129.812 3.245 . . . . 0.0 107.705 178.294 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 23' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -91.59 121.79 33.58 Favored 'General case' 0 C--N 1.375 1.7 0 O-C-N 116.586 -3.821 . . . . 0.0 108.684 -177.57 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 24' ' ' PHE . . . . . . . . . . . . . 39.3 m-85 -129.19 151.7 49.58 Favored 'General case' 0 C--O 1.259 1.588 0 O-C-N 125.422 1.701 . . . . 0.0 108.532 -178.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 25' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -133.15 105.42 7.01 Favored 'General case' 0 CA--C 1.568 1.636 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 171.606 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 26' ' ' ILE . . . . . . . . . . . . . 11.1 mt -104.44 131.89 52.32 Favored 'Isoleucine or valine' 0 N--CA 1.512 2.645 0 C-N-CA 129.354 3.062 . . . . 0.0 111.976 -167.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 27' ' ' THR . . . . . . . . . . . . . 82.3 m -125.5 129.78 50.44 Favored 'General case' 0 N--CA 1.511 2.578 0 CA-C-N 120.292 1.406 . . . . 0.0 109.223 -178.04 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 28' ' ' PHE . . . . . . . . . . . . 0.311 33.5 p90 -141.24 173.88 11.06 Favored 'General case' 0 C--N 1.297 -1.68 0 C-N-CA 125.453 1.501 . . . . 0.0 111.65 -163.047 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 29' ' ' GLU . . . . . . . . . . . . . 76.3 tt0 -147.66 143.23 27.5 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 117.679 -3.138 . . . . 0.0 110.635 -174.616 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 30' ' ' CYS . . . . . 0.525 ' HB3' ' HA ' ' D' ' 67' ' ' VAL . 49.5 t -122.04 115.37 22.38 Favored 'General case' 0 C--N 1.305 -1.363 1 CA-C-O 111.252 -4.213 . . . . 0.0 107.546 175.906 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 71.3 mt -63.12 -34.67 78.1 Favored 'General case' 0 CA--C 1.552 1.056 0 CA-C-N 123.572 2.896 . . . . 0.0 116.533 -179.09 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 32' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -167.2 160.82 14.06 Favored 'General case' 0 N--CA 1.499 1.994 0 CA-C-N 112.774 -2.012 . . . . 0.0 108.128 -169.21 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 33' ' ' SER . . . . . . . . . . . . . 56.5 m -60.89 117.31 5.27 Favored 'General case' 0 N--CA 1.5 2.041 0 C-N-CA 126.501 1.92 . . . . 0.0 115.531 -171.678 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 44.5 mt -92.88 161.61 14.42 Favored 'General case' 0 C--O 1.272 2.286 0 C-N-CA 117.792 -1.563 . . . . 0.0 113.172 174.319 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 35' ' ' LYS . . . . . . . . . . . . . 90.4 mttt -88.0 -52.66 5.14 Favored 'General case' 0 C--N 1.393 2.483 0 N-CA-C 117.439 2.385 . . . . 0.0 117.439 177.123 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 36' ' ' HIS . . . . . . . . . . . . . 95.3 m-70 -76.1 -174.78 2.85 Favored 'General case' 0 N--CA 1.494 1.751 0 N-CA-C 114.059 1.133 . . . . 0.0 114.059 -177.192 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 37' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -88.38 150.34 23.24 Favored 'General case' 0 CA--C 1.57 1.718 0 O-C-N 119.856 -1.778 . . . . 0.0 111.805 174.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 38' ' ' LEU . . . . . . . . . . . . . 15.8 tp -96.06 143.21 27.41 Favored 'General case' 0 C--N 1.294 -1.81 0 C-N-CA 129.741 3.216 . . . . 0.0 111.892 162.16 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 39' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -143.97 118.76 9.88 Favored 'General case' 0 N--CA 1.4 -2.956 0 O-C-N 123.698 0.624 . . . . 0.0 109.428 -173.747 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 40' ' ' TRP . . . . . . . . . . . . . 20.4 m95 -89.99 137.97 31.9 Favored 'General case' 0 N--CA 1.508 2.427 0 C-N-CA 126.317 1.847 . . . . 0.0 107.701 170.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 41' ' ' LYS . . . . . . . . . . . . 0.367 28.9 tttt -138.3 138.88 38.8 Favored 'General case' 0 CA--C 1.484 -1.565 0 CA-C-N 113.72 -1.582 . . . . 0.0 111.153 168.26 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 42' ' ' LEU . . . . . . . . . . . . . 15.2 tp -120.99 129.41 53.4 Favored 'General case' 0 CA--C 1.556 1.178 0 N-CA-C 107.141 -1.429 . . . . 0.0 107.141 -176.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 43' ' ' THR . . . . . . . . . . . . . 99.4 m -137.83 150.11 46.89 Favored 'General case' 0 CA--C 1.576 1.956 0 CA-C-O 115.817 -2.039 . . . . 0.0 112.018 -174.218 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 44' ' ' TYR . . . . . . . . . . . . . 15.6 t80 -107.73 130.15 54.97 Favored 'General case' 0 C--O 1.278 2.564 0 C-N-CA 130.694 3.598 . . . . 0.0 114.782 176.457 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 45' ' ' VAL . . . . . . . . . . . . . 77.2 t -84.35 109.38 17.58 Favored 'Isoleucine or valine' 0 CA--C 1.574 1.868 0 CA-C-N 124.379 3.263 . . . . 0.0 114.854 -179.015 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 46' ' ' GLY . . . . . . . . . . . . . . . -72.66 -19.13 79.03 Favored Glycine 0 N--CA 1.488 2.127 0 N-CA-C 117.209 1.643 . . . . 0.0 117.209 -173.504 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 47' ' ' SER . . . . . . . . . . . . . 31.7 t -161.06 151.59 18.03 Favored 'General case' 0 N--CA 1.518 2.936 0 C-N-CA 126.698 1.999 . . . . 0.0 113.791 168.006 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 48' ' ' SER . . . . . . . . . . . . . 89.1 p -70.28 -22.0 62.9 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 114.116 -1.402 . . . . 0.0 113.925 167.062 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 49' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -86.66 -17.42 33.82 Favored 'General case' 0 N--CA 1.493 1.721 0 N-CA-C 118.395 2.739 . . . . 0.0 118.395 -174.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 50' ' ' SER . . . . . . . . . . . . . 41.7 t -142.13 136.2 29.81 Favored 'General case' 0 CA--C 1.479 -1.757 0 N-CA-C 116.393 1.998 . . . . 0.0 116.393 177.077 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 51' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.97 -22.57 64.1 Favored 'General case' 0 C--O 1.191 -2.011 0 CA-C-N 120.11 1.323 . . . . 0.0 114.087 163.522 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 52' ' ' ASP . . . . . . . . . . . . . 71.5 m-20 -66.37 -2.83 4.92 Favored 'General case' 0 N--CA 1.511 2.601 0 CA-C-N 124.291 3.223 . . . . 0.0 113.071 179.133 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 53' ' ' HIS . . . . . . . . . . . . . 49.9 m170 -100.71 3.86 42.65 Favored 'General case' 0 N--CA 1.513 2.707 0 C-N-CA 126.939 2.096 . . . . 0.0 112.413 178.014 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 54' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -73.03 145.14 46.83 Favored 'General case' 0 C--O 1.207 -1.153 0 CA-C-O 115.612 -2.137 . . . . 0.0 112.611 172.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 55' ' ' GLN . . . . . . . . . . . . 0.298 56.3 mt-30 -117.56 140.45 49.61 Favored 'General case' 0 CA--C 1.591 2.537 0 N-CA-C 104.132 -2.544 . . . . 0.0 104.132 -179.752 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 65.0 tt0 -84.29 117.45 23.56 Favored 'General case' 0 CA--C 1.48 -1.745 0 O-C-N 120.143 -1.598 . . . . 0.0 107.813 164.181 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 57' ' ' LEU . . . . . . . . . . . . . 66.5 mt -78.71 -37.35 41.71 Favored 'General case' 0 C--O 1.196 -1.743 0 O-C-N 126.096 2.122 . . . . 0.0 115.402 171.375 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 58' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -166.68 156.15 11.14 Favored 'General case' 0 C--N 1.375 1.695 0 CA-C-O 125.179 2.419 . . . . 0.0 115.338 178.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 59' ' ' SER . . . . . . . . . . . . . 25.3 p -141.63 156.46 45.66 Favored 'General case' 0 C--N 1.305 -1.364 0 O-C-N 117.447 -3.283 . . . . 0.0 108.857 168.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 60' ' ' ILE . . . . . . . . . . . . . 17.3 mm -141.65 120.36 9.81 Favored 'Isoleucine or valine' 0 C--O 1.271 2.213 0 C-N-CA 127.441 2.296 . . . . 0.0 109.137 -169.048 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 61' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -103.75 132.22 50.21 Favored 'General case' 0 N--CA 1.506 2.332 0 C-N-CA 127.128 2.171 . . . . 0.0 111.328 178.751 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 62' ' ' VAL . . . . . . . . . . . . . 40.0 t -141.32 115.68 5.37 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.94 0 CA-C-O 122.81 1.29 . . . . 0.0 110.357 176.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 63' ' ' GLY . . . . . . . . . . . . . . . -149.71 117.76 0.88 Allowed Glycine 0 C--O 1.184 -2.996 0 CA-C-N 113.171 -1.831 . . . . 0.0 114.217 176.007 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 64' ' ' PRO . . . . . . . . . . . . . 89.7 Cg_endo -82.16 160.94 78.21 Favored 'Cis proline' 0 N--CA 1.524 3.278 1 CA-C-N 124.621 4.211 . . . . 0.0 118.516 2.291 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 65' ' ' VAL . . . . . . . . . . . . . 21.3 t -76.97 127.59 83.39 Favored Pre-proline 0 CA--C 1.569 1.68 0 O-C-N 119.704 -1.872 . . . . 0.0 108.238 -177.517 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 66' ' ' PRO . . . . . . . . . . . . . 17.2 Cg_exo -69.47 134.34 28.35 Favored 'Trans proline' 0 CA--C 1.553 1.46 0 N-CA-C 108.523 -1.376 . . . . 0.0 108.523 175.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 67' ' ' VAL . . . . . 0.525 ' HA ' ' HB3' ' D' ' 30' ' ' CYS . 41.9 t -76.94 146.23 8.98 Favored 'Isoleucine or valine' 0 CA--C 1.592 2.574 0 O-C-N 119.542 -1.974 . . . . 0.0 105.703 -179.293 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 68' ' ' GLY . . . . . . . . . . . . . . . 96.45 -170.58 27.12 Favored Glycine 0 C--N 1.38 2.997 0 CA-C-N 112.645 -2.071 . . . . 0.0 114.424 178.264 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 69' ' ' VAL . . . . . . . . . . . . . 80.3 t -64.49 142.64 16.63 Favored 'Isoleucine or valine' 0 N--CA 1.517 2.896 0 CA-C-O 125.043 2.354 . . . . 0.0 107.824 175.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 70' ' ' ASN . . . . . . . . . . . . . 46.0 t30 -160.37 145.68 14.85 Favored 'General case' 0 N--CA 1.417 -2.118 0 O-C-N 119.944 -1.722 . . . . 0.0 113.203 -177.295 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 71' ' ' LYS . . . . . . . . . . . . 0.317 25.7 ttmt -130.06 140.01 50.9 Favored 'General case' 0 CA--C 1.463 -2.397 0 C-N-CA 126.722 2.009 . . . . 0.0 110.101 -167.374 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 72' ' ' PHE . . . . . . . . . . . . 0.308 7.8 t80 -130.76 140.18 50.29 Favored 'General case' 0 CA--C 1.499 -1.017 0 C-N-CA 129.186 2.994 . . . . 0.0 113.581 176.328 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 73' ' ' VAL . . . . . . . . . . . . . 37.3 t -113.55 140.75 32.22 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.465 0 O-C-N 117.413 -3.304 . . . . 0.0 114.206 -179.082 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 74' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -117.33 159.62 22.44 Favored 'General case' 0 C--O 1.247 0.951 0 C-N-CA 129.715 3.206 . . . . 0.0 112.969 175.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 75' ' ' SER . . . . . . . . . . . . . 5.6 t -153.22 51.43 0.73 Allowed 'General case' 0 C--O 1.235 0.34 0 C-N-CA 128.596 2.758 . . . . 0.0 115.947 170.37 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 76' ' ' ALA . . . . . . . . . . . . . . . -75.0 132.58 41.46 Favored 'General case' 0 CA--C 1.553 1.075 0 CA-C-N 112.876 -1.965 . . . . 0.0 111.521 -159.468 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 77' ' ' ASP . . . . . . . . . . . . . 32.0 m-20 -53.84 132.14 57.27 Favored Pre-proline 0 N--CA 1.429 -1.482 0 O-C-N 127.864 3.228 . . . . 0.0 112.302 177.206 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 78' ' ' PRO . . . . . . . . . . . . . 95.3 Cg_endo -64.48 168.87 12.09 Favored 'Trans proline' 0 CA--C 1.57 2.296 0 N-CA-C 115.523 1.317 . . . . 0.0 115.523 -179.697 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 79' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_endo -78.68 148.85 23.14 Favored 'Trans proline' 0 C--N 1.367 1.529 0 C-N-CA 125.08 3.853 . . . . 0.0 111.564 -175.037 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 80' ' ' SER . . . . . . . . . . . . . 8.2 t -70.53 106.9 3.62 Favored 'General case' 0 CA--C 1.555 1.143 0 N-CA-C 115.272 1.582 . . . . 0.0 115.272 170.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 81' ' ' ALA . . . . . . . . . . . . . . . -49.87 -34.89 21.49 Favored 'General case' 0 C--N 1.315 -0.914 0 N-CA-C 118.386 2.736 . . . . 0.0 118.386 166.67 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 82' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -68.31 -31.39 70.78 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 117.888 -3.007 . . . . 0.0 110.226 178.123 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 83' ' ' LEU . . . . . . . . . . . . . 7.3 mt -81.41 -15.94 53.65 Favored 'General case' 0 C--O 1.27 2.136 0 C-N-CA 118.622 -1.231 . . . . 0.0 110.901 176.239 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 84' ' ' ILE . . . . . . . . . . . . . 18.9 mt -83.43 128.79 62.87 Favored Pre-proline 0 CA--C 1.574 1.868 0 C-N-CA 126.597 1.959 . . . . 0.0 113.309 -177.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 85' ' ' PRO . . . . . . . . . . . . 0.297 47.5 Cg_exo -47.47 114.42 1.03 Allowed 'Trans proline' 0 N--CA 1.442 -1.536 0 N-CA-C 116.327 1.626 . . . . 0.0 116.327 169.393 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 86' ' ' ALA . . . . . . . . . . . . . . . -50.48 -27.01 5.76 Favored 'General case' 0 C--O 1.26 1.644 1 N-CA-C 122.347 4.202 . . . . 0.0 122.347 -177.7 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 87' ' ' SER . . . . . . . . . . . . . 80.5 p -82.17 -31.66 30.37 Favored 'General case' 0 CA--C 1.462 -2.422 0 O-C-N 126.225 2.203 . . . . 0.0 113.233 173.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 88' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -73.53 -34.13 65.07 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 125.626 1.571 . . . . 0.0 112.007 175.587 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 89' ' ' LEU . . . . . . . . . . . . 0.263 10.7 tp -61.97 -42.57 99.28 Favored 'General case' 0 C--O 1.267 1.99 0 CA-C-O 123.233 1.492 . . . . 0.0 112.477 -163.58 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 90' ' ' VAL . . . . . . . . . . . . . 24.3 m -78.76 39.87 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.389 2.285 0 O-C-N 119.791 -1.818 . . . . 0.0 111.234 178.356 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 91' ' ' SER . . . . . . . . . . . . . 2.1 t -152.26 169.05 23.44 Favored 'General case' 0 N--CA 1.494 1.744 0 N-CA-C 115.847 1.795 . . . . 0.0 115.847 -173.251 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 92' ' ' VAL . . . . . . . . . . . . 0.361 12.4 p -55.34 135.4 18.4 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.589 0 C-N-CA 128.896 2.878 . . . . 0.0 113.248 172.002 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 93' ' ' THR . . . . . . . . . . . . . 3.6 t -156.34 -178.67 7.5 Favored 'General case' 0 CA--C 1.565 1.554 0 O-C-N 125.583 1.802 . . . . 0.0 108.432 173.289 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 94' ' ' VAL . . . . . . . . . . . . . 32.8 m -115.17 148.31 17.98 Favored 'Isoleucine or valine' 0 N--CA 1.41 -2.443 0 N-CA-C 117.928 2.566 . . . . 0.0 117.928 173.523 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 95' ' ' ILE . . . . . . . . . . . . . 13.9 pt -108.07 140.96 24.59 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.224 0 O-C-N 127.893 3.246 . . . . 0.0 109.041 163.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 96' ' ' LEU . . . . . . . . . . . . . 29.3 mt -133.47 123.38 25.16 Favored 'General case' 0 N--CA 1.424 -1.757 0 C-N-CA 127.016 2.126 . . . . 0.0 110.226 -170.571 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 97' ' ' LEU . . . . . . . . . . . . . 13.9 tp -98.12 119.55 36.97 Favored 'General case' 0 C--O 1.173 -2.965 0 O-C-N 127.727 3.142 . . . . 0.0 108.003 165.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 98' ' ' SER . . . . . . . . . . . . . 38.4 t -84.81 140.79 30.94 Favored 'General case' 0 CA--C 1.489 -1.394 0 CA-C-N 112.74 -2.027 . . . . 0.0 109.712 161.515 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 99' ' ' CYS . . . . . . . . . . . . 0.465 5.9 t -122.08 130.8 53.57 Favored 'General case' 0 C--O 1.276 2.489 0 O-C-N 117.397 -3.314 . . . . 0.0 106.855 160.401 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 100' ' ' SER . . . . . . . . . . . . . 22.5 t -137.31 133.24 34.73 Favored 'General case' 0 C--O 1.196 -1.761 0 O-C-N 117.74 -3.1 . . . . 0.0 113.93 -175.125 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 101' ' ' TYR . . . . . . . . . . . . . 75.0 t80 -113.83 132.2 55.96 Favored 'General case' 0 N--CA 1.489 1.486 0 CA-C-O 113.345 -3.217 . . . . 0.0 111.091 173.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 102' ' ' ASP . . . . . . . . . . . . . 23.6 t0 47.11 34.56 2.96 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 128.69 3.744 . . . . 0.0 114.321 -176.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 103' ' ' GLY . . . . . . . . . . . . . . . 83.95 5.82 87.38 Favored Glycine 0 CA--C 1.571 3.548 0 CA-C-N 112.014 -2.357 . . . . 0.0 116.155 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 104' ' ' ARG . . . . . . . . . . . . . 51.4 mtm-85 -111.77 123.61 50.6 Favored 'General case' 0 N--CA 1.514 2.773 0 N-CA-C 104.034 -2.58 . . . . 0.0 104.034 174.19 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 105' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -69.29 113.95 7.1 Favored 'General case' 0 C--O 1.254 1.307 0 CA-C-N 112.784 -2.007 . . . . 0.0 111.319 170.174 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 106' ' ' PHE . . . . . . . . . . . . . 16.9 p90 -106.2 -9.3 16.95 Favored 'General case' 0 C--N 1.36 1.026 0 O-C-N 125.989 2.056 . . . . 0.0 110.29 -179.448 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 107' ' ' VAL . . . . . . . . . . . . . 10.0 p -157.39 140.47 6.6 Favored 'Isoleucine or valine' 0 CA--C 1.591 2.543 0 N-CA-C 115.267 1.581 . . . . 0.0 115.267 173.571 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 108' ' ' ARG . . . . . . . . . . . . 0.342 5.5 tpp85 -121.35 134.61 55.13 Favored 'General case' 1 N--CA 1.369 -4.519 0 C-N-CA 127.369 2.267 . . . . 0.0 112.807 168.979 . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' D' D ' 109' ' ' VAL . . . . . . . . . . . . . 2.8 t -114.54 127.72 71.91 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.268 0 CA-C-N 120.078 1.308 . . . . 0.0 109.966 168.112 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 110' ' ' GLY . . . . . . . . . . . . . . . -116.63 148.21 18.88 Favored Glycine 0 N--CA 1.508 3.449 0 CA-C-O 123.961 1.867 . . . . 0.0 113.528 171.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 111' ' ' TYR . . . . . . . . . . . . . 60.7 m-85 -133.62 133.29 41.81 Favored 'General case' 0 N--CA 1.404 -2.731 0 CA-C-N 111.26 -2.47 . . . . 0.0 111.914 177.346 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 112' ' ' TYR . . . . . . . . . . . . . 64.2 m-85 -73.16 132.25 43.01 Favored 'General case' 0 CA--C 1.486 -1.503 0 C-N-CA 125.471 1.508 . . . . 0.0 108.494 171.695 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 113' ' ' VAL . . . . . . . . . . . . . 59.3 t -120.45 123.59 70.8 Favored 'Isoleucine or valine' 0 C--N 1.382 1.997 0 C-N-CA 130.419 3.488 . . . . 0.0 108.128 174.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 114' ' ' ASN . . . . . . . . . . . . . 27.8 t30 -102.71 121.19 41.93 Favored 'General case' 0 C--N 1.279 -2.461 0 CA-C-O 124.359 2.028 . . . . 0.0 112.849 166.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 115' ' ' ASN . . . . . . . . . . . . . 49.6 m-20 -94.85 105.16 17.07 Favored 'General case' 0 C--N 1.401 2.835 0 O-C-N 119.038 -2.288 . . . . 0.0 114.559 172.588 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 116' ' ' GLU . . . . . . . . . . . . . 50.8 tt0 -133.83 145.85 50.1 Favored 'General case' 0 C--O 1.279 2.61 0 CA-C-N 120.613 1.551 . . . . 0.0 112.285 174.381 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 117' ' ' TYR . . . . . . . . . . . . . 61.8 m-85 -66.4 141.28 58.0 Favored 'General case' 0 C--N 1.275 -2.631 0 C-N-CA 124.005 0.922 . . . . 0.0 111.594 -179.496 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 118' ' ' ASP . . . . . . . . . . . . . 19.3 t0 -81.8 2.02 32.05 Favored 'General case' 0 N--CA 1.417 -2.102 0 C-N-CA 125.15 1.38 . . . . 0.0 113.991 176.051 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 119' ' ' GLU . . . . . . . . . . . . . 50.2 mm-40 -114.37 132.78 56.09 Favored 'General case' 0 CA--C 1.579 2.058 0 N-CA-C 108.485 -0.932 . . . . 0.0 108.485 175.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 120' ' ' GLU . . . . . . . . . . . . . 27.7 tp10 -65.1 -38.34 90.42 Favored 'General case' 0 CA--C 1.573 1.835 0 CA-C-O 118.174 -0.917 . . . . 0.0 110.804 -170.023 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 121' ' ' GLU . . . . . . . . . . . . . 38.3 tp10 -69.01 -27.87 66.08 Favored 'General case' 0 CA--C 1.567 1.599 0 CA-C-O 115.953 -1.975 . . . . 0.0 113.402 177.288 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 122' ' ' LEU . . . . . . . . . . . . . 39.2 mt -80.67 -29.57 36.59 Favored 'General case' 0 N--CA 1.513 2.707 0 CA-C-N 120.357 1.435 . . . . 0.0 109.196 170.315 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 123' ' ' ARG . . . . . . . . . . . . . 87.4 mtm-85 -56.95 -39.75 75.14 Favored 'General case' 0 CA--C 1.599 2.865 1 O-C-N 116.197 -4.064 . . . . 0.0 114.058 164.255 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 124' ' ' GLU . . . . . . . . . . . . . 41.8 tp10 -79.44 -38.47 34.58 Favored 'General case' 0 N--CA 1.484 1.24 0 CA-C-N 111.021 -2.809 . . . . 0.0 115.604 -178.43 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 125' ' ' ASN . . . . . . . . . . . . . 23.0 m-20 -129.29 87.2 54.37 Favored Pre-proline 0 N--CA 1.432 -1.37 0 CA-C-O 115.085 -2.388 . . . . 0.0 104.745 179.249 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 126' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -60.28 126.26 19.65 Favored 'Trans proline' 0 N--CA 1.531 3.699 0 C-N-CA 123.567 2.844 . . . . 0.0 109.828 169.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 127' ' ' PRO . . . . . . . . . . . . 0.325 6.7 Cg_endo -71.91 157.5 54.72 Favored 'Trans proline' 0 N--CA 1.455 -0.781 0 C-N-CA 124.923 3.749 . . . . 0.0 117.248 175.707 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 128' ' ' ALA . . . . . . . . . . . . . . . -60.49 -47.55 85.65 Favored 'General case' 0 N--CA 1.51 2.537 0 C-N-CA 128.168 2.587 . . . . 0.0 116.009 162.525 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 129' ' ' LYS . . . . . . . . . . . . . 54.8 mttp -85.23 120.01 26.24 Favored 'General case' 0 CA--C 1.575 1.915 0 CA-C-N 121.694 2.043 . . . . 0.0 110.991 165.165 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 130' ' ' VAL . . . . . . . . . . . . . 98.8 t -80.17 138.83 19.15 Favored 'Isoleucine or valine' 1 N--CA 1.577 5.925 0 O-C-N 118.256 -2.777 . . . . 0.0 108.894 -169.057 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 131' ' ' GLN . . . . . . . . . . . . 0.277 6.5 mt-30 -90.64 73.13 6.77 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 127.432 2.293 . . . . 0.0 112.278 176.326 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 132' ' ' VAL . . . . . . . . . . . . 0.298 95.4 t -48.23 -29.59 2.36 Favored 'Isoleucine or valine' 0 C--N 1.371 1.524 0 N-CA-C 119.63 3.196 . . . . 0.0 119.63 -173.231 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 133' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -78.58 -15.45 58.54 Favored 'General case' 0 C--O 1.211 -0.949 1 C-N-CA 132.228 4.211 . . . . 0.0 113.123 179.84 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 134' ' ' HIS . . . . . . . . . . . . . 71.3 m80 -109.85 -5.55 15.5 Favored 'General case' 0 CA--C 1.561 1.379 0 CA-C-O 113.178 -3.296 . . . . 0.0 112.163 177.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 135' ' ' ILE . . . . . . . . . . . . . 10.6 mt -68.78 118.58 13.17 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.949 0 CA-C-N 121.58 1.991 . . . . 0.0 111.418 167.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 136' ' ' VAL . . . . . . . . . . . . . 53.7 t -88.57 125.49 41.8 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.306 0 C-N-CA 127.701 2.4 . . . . 0.0 111.625 164.491 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 137' ' ' ARG . . . . . . . . . . . . . 13.9 ptt-85 -86.26 144.24 27.52 Favored 'General case' 0 CA--C 1.475 -1.911 1 O-C-N 116.262 -4.024 . . . . 0.0 110.609 165.854 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 138' ' ' ASN . . . . . . . . . . . . . 52.5 t-20 -124.33 105.52 9.52 Favored 'General case' 0 N--CA 1.5 2.067 0 O-C-N 117.711 -3.118 . . . . 0.0 111.695 169.04 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 139' ' ' ILE . . . . . . . . . . . . . 43.9 mt -88.0 132.15 33.84 Favored 'Isoleucine or valine' 0 C--N 1.362 1.129 0 N-CA-C 105.862 -1.903 . . . . 0.0 105.862 -179.207 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 140' ' ' LEU . . . . . . . . . . . . . 9.9 tp -69.13 60.03 0.11 Allowed 'General case' 0 C--N 1.374 1.666 0 C-N-CA 126.41 1.884 . . . . 0.0 115.675 165.591 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 141' ' ' ALA . . . . . . . . . . . . . . . -61.97 -10.58 10.06 Favored 'General case' 0 N--CA 1.428 -1.55 0 N-CA-C 119.446 3.128 . . . . 0.0 119.446 177.244 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 142' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -83.24 -20.82 33.83 Favored 'General case' 0 CA--C 1.588 2.432 0 N-CA-C 118.187 2.662 . . . . 0.0 118.187 165.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 143' ' ' LYS . . . . . . . . . . . . . 50.7 mttt -132.09 56.87 25.79 Favored Pre-proline 0 C--N 1.296 -1.73 0 C-N-CA 128.194 2.598 . . . . 0.0 116.624 -173.683 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 144' ' ' PRO . . . . . . . . . . . . . 94.8 Cg_endo -52.08 140.32 50.43 Favored 'Trans proline' 0 CA--C 1.572 2.41 0 CA-C-O 124.194 1.664 . . . . 0.0 112.436 158.636 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 145' ' ' ARG . . . . . . . . . . . . . 12.3 mmt180 -103.31 110.69 22.78 Favored 'General case' 0 N--CA 1.386 -3.659 0 C-N-CA 126.949 2.1 . . . . 0.0 110.189 163.306 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 146' ' ' VAL . . . . . . . . . . . . . 51.3 t -103.31 96.27 4.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 C-N-CA 129.102 2.961 . . . . 0.0 107.68 -172.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 147' ' ' THR . . . . . . . . . . . . . 6.1 m -86.94 111.07 20.46 Favored 'General case' 0 C--O 1.274 2.353 0 N-CA-C 107.105 -1.443 . . . . 0.0 107.105 172.092 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 148' ' ' ARG . . . . . . . . . . . . . 17.7 ptt180 -90.14 156.85 18.06 Favored 'General case' 0 C--O 1.261 1.673 0 CA-C-O 116.451 -1.738 . . . . 0.0 113.381 170.672 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 149' ' ' PHE . . . . . . . . . . . . . 62.4 m-85 -144.72 128.04 16.82 Favored 'General case' 0 N--CA 1.485 1.316 0 C-N-CA 125.205 1.402 . . . . 0.0 108.033 -173.287 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 150' ' ' ASN . . . . . . . . . . . . . 54.4 t-20 -77.24 137.07 38.6 Favored 'General case' 0 C--O 1.199 -1.573 0 O-C-N 117.721 -3.112 . . . . 0.0 111.059 176.386 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 151' ' ' ILE . . . . . . . . . . . . . 18.7 pt -140.04 169.92 15.64 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.193 0 CA-C-O 124.596 2.141 . . . . 0.0 113.43 176.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 152' ' ' VAL . . . . . . . . . . . . . 51.3 t -71.32 139.6 19.6 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.202 0 O-C-N 118.665 -2.522 . . . . 0.0 111.979 164.408 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 153' ' ' TRP . . . . . . . . . . . . . 94.4 m95 -111.05 -23.34 10.98 Favored 'General case' 0 N--CA 1.495 1.822 0 C-N-CA 128.873 2.869 . . . . 0.0 116.615 177.261 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 154' ' ' ASP . . . . . . . . . . . . . 46.6 t0 -148.71 130.81 15.39 Favored 'General case' 0 C--O 1.263 1.79 0 O-C-N 126.69 2.494 . . . . 0.0 108.374 158.359 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 155' ' ' ASN . . . . . . . . . . . . . 19.3 m120 -79.96 -24.43 40.96 Favored 'General case' 0 C--O 1.266 1.947 0 O-C-N 119.411 -2.056 . . . . 0.0 111.198 179.048 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 156' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -76.61 -14.85 59.96 Favored 'General case' 0 N--CA 1.417 -2.075 0 CA-C-O 114.055 -2.878 . . . . 0.0 110.785 175.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 157' ' ' ASN . . . . . . . . . . . . . 64.1 t30 -98.04 -35.55 10.39 Favored 'General case' 0 C--N 1.392 2.432 0 CA-C-N 123.256 2.753 . . . . 0.0 113.476 171.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 158' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -126.8 129.61 48.65 Favored 'General case' 0 C--N 1.394 2.518 0 CA-C-O 125.977 2.799 . . . . 0.0 114.869 -176.251 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 159' ' ' GLY . . . . . . . . . . . . . . . -98.62 114.27 4.97 Favored Glycine 0 C--O 1.254 1.366 0 CA-C-O 116.123 -2.487 . . . . 0.0 113.835 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 160' ' ' ASP . . . . . . . . . . . . . 56.2 t0 -82.53 125.7 31.42 Favored 'General case' 0 C--O 1.269 2.124 0 O-C-N 127.223 2.367 . . . . 0.0 111.245 176.557 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 161' ' ' LEU . . . . . . . . . . . . . 9.7 mt -64.87 -29.64 70.6 Favored 'General case' 0 CA--C 1.567 1.613 0 C-N-CA 124.49 1.116 . . . . 0.0 109.4 -174.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 162' ' ' TYR . . . . . . . . . . . . . 92.4 m-85 -147.23 54.06 1.84 Allowed Pre-proline 0 C--O 1.28 2.673 1 O-C-N 115.523 -4.486 . . . . 0.0 111.944 -167.038 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 163' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -60.94 143.01 99.25 Favored 'Trans proline' 0 N--CA 1.45 -1.059 0 O-C-N 123.423 1.223 . . . . 0.0 113.493 -175.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 164' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo . . . . . 0 N--CA 1.504 2.11 0 O-C-N 116.371 -2.489 . . . . 0.0 108.94 -171.559 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' E' E ' 60' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 C--O 1.281 2.762 0 N-CA-C 115.922 1.823 . . . . 0.0 115.922 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' E' E ' 61' ' ' LEU . . . . . . . . . . . . . 24.5 mt -67.42 -34.35 77.05 Favored 'General case' 0 N--CA 1.506 2.375 0 O-C-N 120.171 -1.581 . . . . 0.0 111.807 -178.115 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 62' ' ' ILE . . . . . . . . . . . . . 30.2 mt -85.87 149.73 4.13 Favored 'Isoleucine or valine' 0 N--CA 1.539 3.983 0 CA-C-O 115.589 -2.148 . . . . 0.0 105.482 -178.319 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 63' ' ' ARG . . . . . . . . . . . . . 30.8 mmt-85 -82.06 118.84 23.32 Favored 'General case' 0 C--O 1.248 1.0 0 O-C-N 124.776 1.298 . . . . 0.0 111.605 164.743 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 64' ' ' LYS . . . . . 0.433 ' HE2' ' SD ' ' E' ' 90' ' ' MET . 99.2 mttt -46.39 -70.45 0.1 Allowed 'General case' 0 CA--C 1.491 -1.298 0 O-C-N 128.144 3.402 . . . . 0.0 114.35 -170.159 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 65' ' ' LEU . . . . . . . . . . . . 0.276 14.6 mt -64.43 -28.64 3.13 Favored Pre-proline 0 C--O 1.202 -1.439 0 N-CA-C 120.456 3.502 . . . . 0.0 120.456 -160.502 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 66' ' ' PRO . . . . . . . . . . . . . 16.1 Cg_exo -74.37 -37.16 2.64 Favored 'Trans proline' 0 N--CA 1.422 -2.7 0 C-N-CA 123.936 3.091 . . . . 0.0 113.624 166.084 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 67' ' ' PHE . . . . . . . . . . . . . 54.7 t80 -53.07 -52.18 59.39 Favored 'General case' 0 C--O 1.263 1.796 0 CA-C-O 115.665 -2.112 . . . . 0.0 113.791 164.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 68' ' ' GLN . . . . . . . . . . . . . 47.6 mt-30 -55.73 -36.49 67.3 Favored 'General case' 0 C--N 1.29 -1.992 0 N-CA-C 116.55 2.056 . . . . 0.0 116.55 175.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 69' ' ' ARG . . . . . . . . . . . . . 38.3 ttt180 -75.5 -35.87 60.7 Favored 'General case' 0 C--N 1.294 -1.841 0 O-C-N 121.137 -0.977 . . . . 0.0 110.828 172.47 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 70' ' ' LEU . . . . . . . . . . . . 0.333 52.2 tp -54.94 -36.44 65.28 Favored 'General case' 0 N--CA 1.483 1.195 0 CA-C-O 126.951 3.262 . . . . 0.0 117.64 166.422 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 71' ' ' VAL . . . . . . . . . . . . 0.275 6.6 t -67.08 -42.86 88.92 Favored 'Isoleucine or valine' 0 CA--C 1.455 -2.69 0 CA-C-O 114.995 -2.431 . . . . 0.0 110.542 176.75 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 72' ' ' ARG . . . . . . . . . . . . . 4.0 tmt_? -64.27 -47.79 78.21 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 128.628 3.705 . . . . 0.0 116.708 172.538 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 73' ' ' GLU . . . . . . . . . . . . . 66.8 mm-40 -65.3 -36.29 83.63 Favored 'General case' 0 C--O 1.243 0.731 0 CA-C-N 121.088 1.767 . . . . 0.0 112.19 -179.273 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 74' ' ' ILE . . . . . . . . . . . . . 6.1 mt -69.58 -40.84 80.03 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.081 0 C-N-CA 117.499 -1.681 . . . . 0.0 108.309 -179.08 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 75' ' ' ALA . . . . . . . . . . . . . . . -71.94 -27.11 62.58 Favored 'General case' 0 N--CA 1.538 3.943 0 N-CA-C 119.988 3.329 . . . . 0.0 119.988 176.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 76' ' ' GLN . . . . . . . . . . . . . 39.2 tp60 -56.26 -39.4 72.55 Favored 'General case' 0 CA--C 1.576 1.969 0 O-C-N 124.592 1.183 . . . . 0.0 110.864 178.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 77' ' ' ASP . . . . . . . . . . . . . 43.1 m-20 -74.71 -18.0 60.57 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 113.774 -1.557 . . . . 0.0 114.902 -179.294 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 78' ' ' PHE . . . . . . . . . . . . . 88.7 m-85 -99.02 -26.87 14.1 Favored 'General case' 0 CA--C 1.565 1.55 0 N-CA-C 117.122 2.267 . . . . 0.0 117.122 169.19 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 79' ' ' LYS . . . . . . . . . . . . . 53.0 tptt -150.57 114.53 5.04 Favored 'General case' 0 C--O 1.201 -1.461 0 CA-C-O 114.342 -2.742 . . . . 0.0 109.855 168.177 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 80' ' ' THR . . . . . . . . . . . . . 52.0 m -62.56 141.4 58.47 Favored 'General case' 0 N--CA 1.51 2.532 0 O-C-N 126.599 2.437 . . . . 0.0 111.972 169.506 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 81' ' ' ASP . . . . . . . . . . . . . 26.1 t0 56.25 32.7 20.83 Favored 'General case' 0 N--CA 1.426 -1.629 0 C-N-CA 129.275 3.03 . . . . 0.0 112.603 -178.284 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 82' ' ' LEU . . . . . . . . . . . . . 3.2 tp -72.61 143.19 48.29 Favored 'General case' 0 CA--C 1.601 2.928 0 CA-C-N 121.461 1.937 . . . . 0.0 107.261 173.006 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 83' ' ' ARG . . . . . . . . . . . . . 67.7 mtt-85 -98.69 -176.12 3.27 Favored 'General case' 0 CA--C 1.459 -2.544 0 N-CA-C 115.428 1.64 . . . . 0.0 115.428 165.567 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 84' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -147.87 153.1 38.69 Favored 'General case' 0 N--CA 1.475 0.817 0 CA-C-O 117.665 -1.16 . . . . 0.0 111.199 163.488 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 85' ' ' GLN . . . . . . . . . . . . . 31.8 mm-40 -66.67 134.13 51.64 Favored 'General case' 0 N--CA 1.406 -2.653 0 CA-C-O 116.263 -1.827 . . . . 0.0 115.615 157.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 86' ' ' SER . . . . . . . . . . . . . 78.9 p -45.61 -31.21 1.77 Allowed 'General case' 0 N--CA 1.509 2.505 0 CA-C-N 121.004 1.729 . . . . 0.0 115.295 172.068 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 87' ' ' SER . . . . . . . . . . . . . 4.8 m -66.84 -32.45 73.73 Favored 'General case' 0 C--N 1.394 2.528 0 CA-C-N 112.755 -2.02 . . . . 0.0 115.726 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 88' ' ' ALA . . . . . . . . . . . . . . . -79.97 -44.75 19.68 Favored 'General case' 0 C--O 1.254 1.305 0 C-N-CA 129.4 3.08 . . . . 0.0 112.361 -178.349 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 89' ' ' VAL . . . . . . . . . . . . 0.378 11.4 m -65.32 -37.77 80.92 Favored 'Isoleucine or valine' 0 CA--C 1.485 -1.551 0 CA-C-N 113.661 -1.609 . . . . 0.0 114.531 173.527 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 90' ' ' MET . . . . . 0.433 ' SD ' ' HE2' ' E' ' 64' ' ' LYS . 16.7 mmm -73.69 -34.79 65.02 Favored 'General case' 0 C--O 1.194 -1.838 0 C-N-CA 116.259 -2.176 . . . . 0.0 111.222 173.723 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 91' ' ' ALA . . . . . . . . . . . . . . . -57.36 -43.18 83.29 Favored 'General case' 0 N--CA 1.421 -1.887 0 CA-C-N 121.994 2.179 . . . . 0.0 115.871 168.685 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 92' ' ' LEU . . . . . . . . . . . . . 29.7 mt -53.62 -42.8 68.1 Favored 'General case' 0 C--N 1.277 -2.585 0 CA-C-O 124.303 2.001 . . . . 0.0 112.583 170.305 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 93' ' ' GLN . . . . . . . . . . . . 0.337 29.3 tt0 -66.11 -48.52 70.61 Favored 'General case' 0 CA--C 1.504 -0.79 0 C-N-CA 129.101 2.961 . . . . 0.0 113.162 -179.353 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 94' ' ' GLU . . . . . . . . . . . . . 69.5 mt-10 -73.51 -29.76 62.68 Favored 'General case' 0 N--CA 1.511 2.596 0 C-N-CA 126.527 1.931 . . . . 0.0 111.17 179.167 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 95' ' ' ALA . . . . . . . . . . . . . . . -67.71 -41.11 84.05 Favored 'General case' 0 N--CA 1.512 2.674 0 O-C-N 118.835 -2.416 . . . . 0.0 110.953 167.254 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 96' ' ' SER . . . . . . . . . . . . . 9.8 m -65.34 -51.49 60.19 Favored 'General case' 0 C--O 1.202 -1.432 0 CA-C-O 117.287 -1.339 . . . . 0.0 112.557 178.428 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 97' ' ' GLU . . . . . . . . . . . . . 69.8 mt-10 -46.38 -44.62 17.22 Favored 'General case' 0 C--N 1.302 -1.496 0 CA-C-O 115.711 -2.09 . . . . 0.0 113.502 167.594 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 98' ' ' ALA . . . . . . . . . . . . . . . -75.23 -38.06 60.79 Favored 'General case' 0 CA--C 1.6 2.881 0 N-CA-C 118.229 2.677 . . . . 0.0 118.229 177.487 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 99' ' ' TYR . . . . . . . . . . . . . 28.5 t80 -66.78 -50.03 63.98 Favored 'General case' 0 C--O 1.186 -2.267 0 O-C-N 126.429 2.331 . . . . 0.0 110.017 169.338 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 100' ' ' LEU . . . . . . . . . . . . . 22.0 mt -66.26 -44.67 83.0 Favored 'General case' 0 N--CA 1.497 1.889 0 CA-C-O 112.671 -3.538 . . . . 0.0 112.522 179.353 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 101' ' ' VAL . . . . . . . . . . . . . 40.6 t -50.65 -44.35 25.35 Favored 'Isoleucine or valine' 0 C--O 1.271 2.184 0 CA-C-N 123.279 2.763 . . . . 0.0 112.726 171.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 102' ' ' GLY . . . . . . . . . . . . . . . -64.34 -54.1 31.79 Favored Glycine 1 N--CA 1.389 -4.494 0 CA-C-O 116.799 -2.112 . . . . 0.0 109.78 171.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 103' ' ' LEU . . . . . . . . . . . . . 14.6 tp -58.76 -31.14 68.08 Favored 'General case' 0 N--CA 1.484 1.238 0 N-CA-C 118.828 2.899 . . . . 0.0 118.828 176.152 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 104' ' ' PHE . . . . . . . . . . . . . 35.4 m-85 -66.71 -34.28 77.51 Favored 'General case' 0 N--CA 1.42 -1.926 0 CA-C-N 122.169 2.259 . . . . 0.0 116.721 168.349 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 105' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -66.01 -36.89 84.5 Favored 'General case' 0 C--O 1.263 1.801 0 CA-C-O 114.888 -2.482 . . . . 0.0 107.139 173.409 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 106' ' ' ASP . . . . . . . . . . . . . 79.1 m-20 -68.39 -50.87 49.91 Favored 'General case' 0 C--O 1.185 -2.307 0 O-C-N 126.43 2.331 . . . . 0.0 110.447 171.278 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 107' ' ' THR . . . . . . . . . . . . . 97.2 m -56.18 -46.37 79.39 Favored 'General case' 0 C--N 1.284 -2.241 0 CA-C-O 124.902 2.287 . . . . 0.0 113.696 178.141 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 108' ' ' ASN . . . . . . . . . . . . . 57.6 t30 -62.38 -36.65 82.94 Favored 'General case' 0 C--O 1.201 -1.466 0 CA-C-O 113.25 -3.262 . . . . 0.0 113.426 169.603 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 109' ' ' LEU . . . . . 0.4 HD13 ' HA ' ' E' ' 109' ' ' LEU . 12.3 tp -64.61 -36.16 83.35 Favored 'General case' 0 N--CA 1.488 1.457 0 CA-C-N 124.491 3.314 . . . . 0.0 112.087 169.704 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 110' ' ' CYS . . . . . . . . . . . . . 40.0 t -57.47 -45.66 84.54 Favored 'General case' 0 C--O 1.263 1.781 0 O-C-N 117.373 -3.329 . . . . 0.0 110.182 171.39 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 111' ' ' ALA . . . . . . . . . . . . . . . -62.61 -47.23 84.66 Favored 'General case' 0 C--N 1.288 -2.083 0 CA-C-O 126.623 3.106 . . . . 0.0 112.906 -178.083 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 112' ' ' ILE . . . . . . . . . . . . . 19.3 mt -61.81 -45.82 97.86 Favored 'Isoleucine or valine' 0 N--CA 1.51 2.534 0 CA-C-N 110.545 -3.025 . . . . 0.0 110.548 178.246 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 113' ' ' HIS . . . . . . . . . . . . . 42.5 t60 -64.05 -33.41 75.68 Favored 'General case' 0 CA--C 1.554 1.113 0 O-C-N 127.767 3.167 . . . . 0.0 112.815 174.636 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 114' ' ' ALA . . . . . . . . . . . . . . . -67.98 -16.52 64.09 Favored 'General case' 0 CA--C 1.57 1.737 0 CA-C-O 117.531 -1.223 . . . . 0.0 112.458 175.592 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 115' ' ' LYS . . . . . . . . . . . . . 39.4 mtpt 70.46 42.33 0.9 Allowed 'General case' 0 N--CA 1.491 1.624 0 C-N-CA 128.764 2.826 . . . . 0.0 107.751 -174.323 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 116' ' ' ARG . . . . . . . . . . . . . 41.9 mtm105 -117.18 142.5 46.96 Favored 'General case' 0 C--N 1.389 2.315 0 C-N-CA 126.562 1.945 . . . . 0.0 110.183 162.612 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 117' ' ' VAL . . . . . . . . . . . . . 96.4 t -62.15 -47.86 91.16 Favored 'Isoleucine or valine' 0 C--O 1.251 1.141 0 CA-C-O 123.335 1.541 . . . . 0.0 108.699 156.151 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 118' ' ' THR . . . . . . . . . . . . . 32.7 m -84.46 132.95 34.5 Favored 'General case' 0 CA--C 1.583 2.216 0 O-C-N 117.769 -3.082 . . . . 0.0 107.545 -159.528 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 119' ' ' ILE . . . . . . . . . . . . . 13.2 pt -74.01 142.51 14.73 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.012 0 O-C-N 125.438 1.712 . . . . 0.0 113.787 161.4 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 120' ' ' MET . . . . . . . . . . . . . 73.9 mtm -134.1 168.73 16.4 Favored Pre-proline 0 N--CA 1.496 1.843 0 O-C-N 124.704 1.252 . . . . 0.0 112.686 171.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 121' ' ' PRO . . . . . . . . . . . . . 34.3 Cg_exo -61.13 -27.98 84.9 Favored 'Trans proline' 0 CA--C 1.559 1.742 0 N-CA-C 116.99 1.881 . . . . 0.0 116.99 -173.069 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 122' ' ' LYS . . . . . . . . . . . . . 22.9 ttmt -38.06 -41.91 0.61 Allowed 'General case' 0 N--CA 1.493 1.711 1 N-CA-C 122.211 4.152 . . . . 0.0 122.211 154.772 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 123' ' ' ASP . . . . . . . . . . . . . 91.8 m-20 -78.41 -46.28 20.25 Favored 'General case' 0 CA--C 1.608 3.195 0 C-N-CA 126.834 2.053 . . . . 0.0 108.689 -167.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 124' ' ' ILE . . . . . . . . . . . . . 15.1 tt -70.97 -26.32 27.4 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.843 0 N-CA-C 114.804 1.409 . . . . 0.0 114.804 175.699 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 125' ' ' GLN . . . . . . . . . . . . . 60.3 mm-40 -71.21 -45.95 62.25 Favored 'General case' 0 C--O 1.257 1.485 0 O-C-N 119.27 -2.144 . . . . 0.0 111.178 169.63 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 126' ' ' LEU . . . . . . . . . . . . 0.29 51.1 mt -60.82 -38.37 85.19 Favored 'General case' 0 C--N 1.351 0.634 0 CA-C-N 115.223 -0.899 . . . . 0.0 111.261 178.742 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 127' ' ' ALA . . . . . . . . . . . . . . . -63.03 -37.67 88.1 Favored 'General case' 0 N--CA 1.416 -2.159 0 CA-C-O 116.417 -1.754 . . . . 0.0 111.274 169.029 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 128' ' ' ARG . . . . . . . . . . . . . 46.1 ttt-85 -56.42 -45.22 80.81 Favored 'General case' 0 N--CA 1.501 2.115 0 CA-C-N 124.261 3.21 . . . . 0.0 111.441 167.642 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 129' ' ' ARG . . . . . . . . . . . . . 36.4 mmm-85 -63.34 -39.84 95.64 Favored 'General case' 0 N--CA 1.441 -0.88 0 CA-C-N 120.197 1.362 . . . . 0.0 108.311 178.489 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 130' ' ' ILE . . . . . . . . . . . . 0.252 4.0 tt -66.75 -30.4 49.55 Favored 'Isoleucine or valine' 0 CA--C 1.587 2.391 0 O-C-N 117.816 -3.052 . . . . 0.0 109.244 -167.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 131' ' ' ARG . . . . . . . . . . . . . 62.8 mtp85 -93.23 35.2 1.09 Allowed 'General case' 0 C--N 1.282 -2.357 0 CA-C-O 123.615 1.674 . . . . 0.0 110.919 -178.23 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 132' ' ' GLY . . . . . . . . . . . . . . . 69.09 27.59 73.69 Favored Glycine 0 C--N 1.292 -1.906 0 O-C-N 119.281 -2.137 . . . . 0.0 114.355 174.522 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 133' ' ' GLU . . . . . . . . . . . . 0.532 4.8 pm0 36.92 -83.31 0.0 OUTLIER 'General case' 0 N--CA 1.526 3.371 0 N-CA-C 117.103 2.26 . . . . 0.0 117.103 -169.282 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 134' ' ' ARG . . . . . . . . . . . . . 17.7 mmt85 . . . . . 0 C--O 1.285 2.974 0 C-N-CA 127.889 2.476 . . . . 0.0 111.539 -162.119 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' F' F ' 20' ' ' LYS . . . . . . . . . . . . . 28.9 ttpt . . . . . 0 CA--C 1.566 1.563 0 CA-C-O 116.72 -1.61 . . . . 0.0 111.116 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' F' F ' 21' ' ' VAL . . . . . . . . . . . . . 28.9 m -108.75 161.63 7.04 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.173 0 CA-C-N 121.778 2.081 . . . . 0.0 110.642 172.547 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 22' ' ' LEU . . . . . . . . . . . . 0.263 37.9 tp -50.34 -34.88 25.45 Favored 'General case' 0 C--O 1.169 -3.14 0 N-CA-C 116.492 2.034 . . . . 0.0 116.492 -178.066 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' F' F ' 23' ' ' ARG . . . . . . . . . . . . . 16.6 ttt180 -51.78 -30.3 22.45 Favored 'General case' 0 N--CA 1.494 1.731 0 CA-C-O 127.083 3.325 . . . . 0.0 119.313 173.448 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 24' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -64.21 -32.5 74.11 Favored 'General case' 0 C--N 1.295 -1.79 0 C-N-CA 130.705 3.602 . . . . 0.0 111.75 170.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 25' ' ' ASN . . . . . . . . . . . . 0.332 2.4 m120 -106.89 11.94 29.41 Favored 'General case' 0 C--N 1.295 -1.803 1 C-N-CA 132.951 4.5 . . . . 0.0 114.159 -171.775 . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' F' F ' 26' ' ' ILE . . . . . . . . . . . . 0.253 60.4 mt -66.82 117.47 7.93 Favored 'Isoleucine or valine' 0 N--CA 1.53 3.54 0 O-C-N 117.634 -3.166 . . . . 0.0 110.728 160.666 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' F' F ' 27' ' ' GLN . . . . . . . . . . . . . 83.3 mm-40 -107.35 143.76 35.19 Favored 'General case' 0 N--CA 1.432 -1.363 0 O-C-N 125.714 1.884 . . . . 0.0 114.798 -176.22 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 28' ' ' GLY . . . . . . . . . . . . . . . -91.84 -15.56 54.08 Favored Glycine 0 N--CA 1.51 3.604 1 CA-C-O 113.303 -4.054 . . . . 0.0 111.213 171.545 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' F' F ' 29' ' ' ILE . . . . . . . . . . . . . 2.5 pt -150.56 128.67 2.68 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.945 0 CA-C-N 123.839 3.819 . . . . 0.0 109.581 -171.744 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 30' ' ' THR . . . . . . . . . . . . . 66.3 p -78.81 162.99 25.71 Favored 'General case' 0 N--CA 1.532 3.661 0 C-N-CA 125.502 1.521 . . . . 0.0 111.847 177.649 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 31' ' ' LYS . . . . . . . . . . . . . 84.0 mttt -58.12 -43.9 98.79 Favored Pre-proline 0 C--N 1.293 -1.862 0 O-C-N 119.404 -2.06 . . . . 0.0 113.179 178.566 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 32' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_exo -57.71 -41.06 74.27 Favored 'Trans proline' 0 C--N 1.297 -2.169 0 C-N-CA 124.343 3.362 . . . . 0.0 117.021 171.081 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.96 -39.13 76.2 Favored 'General case' 0 CA--C 1.586 2.365 0 O-C-N 124.692 1.245 . . . . 0.0 111.101 176.097 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 34' ' ' ILE . . . . . . . . . . . . . 73.7 mt -60.82 -43.07 94.67 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.406 0 N-CA-C 113.191 0.811 . . . . 0.0 113.191 172.012 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 35' ' ' ARG . . . . . . . . . . . . . 3.5 tmt_? -59.39 -32.07 69.82 Favored 'General case' 1 N--CA 1.552 4.664 0 N-CA-C 116.249 1.944 . . . . 0.0 116.249 167.403 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' F' F ' 36' ' ' ARG . . . . . . . . . . . . . 41.7 ttm105 -75.32 -45.1 41.68 Favored 'General case' 0 CA--C 1.576 1.966 0 N-CA-C 106.012 -1.847 . . . . 0.0 106.012 -178.26 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 37' ' ' LEU . . . . . . . . . . . . . 37.1 mt -58.26 -42.86 87.39 Favored 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 126.875 2.07 . . . . 0.0 112.475 175.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 38' ' ' ALA . . . . . . . . . . . . 0.259 . . -59.58 -48.58 81.1 Favored 'General case' 0 C--O 1.249 1.055 0 CA-C-N 110.646 -2.979 . . . . 0.0 112.126 173.248 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' F' F ' 39' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? -55.23 -41.55 72.23 Favored 'General case' 0 C--O 1.206 -1.209 0 C-N-CA 127.44 2.296 . . . . 0.0 112.963 175.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 40' ' ' ARG . . . . . . . . . . . . . 10.0 mmt85 -76.02 -14.21 60.22 Favored 'General case' 0 N--CA 1.508 2.475 0 C-N-CA 127.932 2.493 . . . . 0.0 114.143 174.713 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 41' ' ' GLY . . . . . . . . . . . . . . . -89.47 13.86 62.75 Favored Glycine 0 CA--C 1.559 2.834 0 C-N-CA 127.334 2.397 . . . . 0.0 113.157 160.33 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 42' ' ' GLY . . . . . . . . . . . . . . . 65.73 13.56 59.2 Favored Glycine 0 N--CA 1.481 1.69 0 N-CA-C 120.833 3.093 . . . . 0.0 120.833 177.363 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 43' ' ' VAL . . . . . . . . . . . . . 35.8 t -60.04 138.91 20.34 Favored 'Isoleucine or valine' 0 N--CA 1.523 3.214 0 C-N-CA 125.857 1.663 . . . . 0.0 110.436 176.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 44' ' ' LYS . . . . . . . . . . . . . 89.6 mttt -90.35 -43.31 10.41 Favored 'General case' 0 C--N 1.349 0.56 0 N-CA-C 116.928 2.195 . . . . 0.0 116.928 164.059 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 45' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -138.4 142.93 39.57 Favored 'General case' 0 N--CA 1.519 3.018 0 CA-C-O 115.011 -2.423 . . . . 0.0 115.914 -167.797 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' F' F ' 46' ' ' ILE . . . . . . . . . . . . . 89.2 mt -130.16 126.25 61.36 Favored 'Isoleucine or valine' 0 C--O 1.266 1.93 0 N-CA-C 115.427 1.64 . . . . 0.0 115.427 -171.194 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 47' ' ' SER . . . . . . . . . . . . . 21.3 t -60.12 128.34 36.32 Favored 'General case' 0 N--CA 1.507 2.414 0 O-C-N 118.337 -2.727 . . . . 0.0 111.278 160.047 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 48' ' ' GLY . . . . . . . . . . . . . . . -56.63 -18.12 22.73 Favored Glycine 0 CA--C 1.542 1.726 0 N-CA-C 120.502 2.961 . . . . 0.0 120.502 179.719 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 49' ' ' LEU . . . . . . . . . . . . . 30.7 mt -71.02 -7.22 44.8 Favored 'General case' 0 CA--C 1.582 2.182 0 CA-C-N 111.544 -2.328 . . . . 0.0 116.665 168.162 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 50' ' ' ILE . . . . . . . . . . . . . 9.7 mm -74.34 -26.4 20.44 Favored 'Isoleucine or valine' 0 CA--C 1.477 -1.834 0 O-C-N 118.829 -2.419 . . . . 0.0 110.29 171.666 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 51' ' ' TYR . . . . . . . . . . . . . 43.8 m-85 -68.83 -23.76 64.29 Favored 'General case' 0 C--N 1.307 -1.246 0 O-C-N 118.855 -2.403 . . . . 0.0 115.261 174.203 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 52' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -76.23 -59.29 2.83 Favored 'General case' 0 CA--C 1.572 1.802 0 C-N-CA 127.918 2.487 . . . . 0.0 109.676 163.178 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 53' ' ' GLU . . . . . . . . . . . . . 19.2 tp10 -60.78 -40.83 94.03 Favored 'General case' 0 CA--C 1.57 1.73 0 N-CA-C 120.491 3.515 . . . . 0.0 120.491 -167.16 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 54' ' ' THR . . . . . . . . . . . . . 3.7 m -57.73 -37.9 74.37 Favored 'General case' 0 C--N 1.312 -1.025 0 CA-C-O 124.734 2.207 . . . . 0.0 112.558 170.244 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 55' ' ' ARG . . . . . . . . . . . . . 47.3 mtt180 -69.24 -35.12 75.81 Favored 'General case' 0 N--CA 1.534 3.766 0 O-C-N 116.993 -3.567 . . . . 0.0 110.718 179.601 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 56' ' ' GLY . . . . . . . . . . . . . . . -70.87 -40.5 63.75 Favored Glycine 1 CA--C 1.597 5.186 0 C-N-CA 126.938 2.209 . . . . 0.0 112.985 175.2 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' F' F ' 57' ' ' VAL . . . . . . . . . . . . . 4.3 t -66.23 -35.28 74.61 Favored 'Isoleucine or valine' 0 N--CA 1.419 -1.996 0 N-CA-C 115.355 1.613 . . . . 0.0 115.355 170.414 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 58' ' ' LEU . . . . . . . . . . . . . 29.6 tp -71.69 -34.44 69.65 Favored 'General case' 0 C--O 1.289 3.138 0 C-N-CA 116.387 -2.125 . . . . 0.0 115.006 168.063 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 59' ' ' LYS . . . . . . . . . . . . . 5.3 ttpm? -63.11 -28.82 70.33 Favored 'General case' 0 C--N 1.388 2.244 0 N-CA-C 116.914 2.19 . . . . 0.0 116.914 175.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 60' ' ' VAL . . . . . . . . . . . . . 7.3 t -74.63 -42.03 48.28 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.16 0 N-CA-C 118.277 2.695 . . . . 0.0 118.277 164.137 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 61' ' ' PHE . . . . . . . . . . . . . 8.2 t80 -57.2 -48.9 77.61 Favored 'General case' 0 N--CA 1.491 1.607 0 CA-C-O 122.825 1.297 . . . . 0.0 108.268 177.253 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 62' ' ' LEU . . . . . . . . . . . . . 84.6 mt -71.48 -40.72 70.06 Favored 'General case' 0 C--N 1.39 2.365 0 N-CA-C 115.777 1.769 . . . . 0.0 115.777 -175.12 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 63' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -68.56 -28.64 67.14 Favored 'General case' 0 C--O 1.258 1.526 0 CA-C-N 119.158 0.89 . . . . 0.0 112.155 -176.402 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' F' F ' 64' ' ' ASN . . . . . . . . . . . . . 40.2 m-80 -58.84 -59.57 5.22 Favored 'General case' 0 CA--C 1.599 2.837 0 C-N-CA 128.734 2.814 . . . . 0.0 110.228 162.034 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 65' ' ' VAL . . . . . . . . . . . . 0.293 9.7 t -62.33 -44.08 98.79 Favored 'Isoleucine or valine' 1 N--CA 1.54 4.044 0 O-C-N 124.76 1.288 . . . . 0.0 109.525 -174.694 . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' F' F ' 66' ' ' ILE . . . . . . . . . . . . . 25.4 mt -62.51 -46.2 96.97 Favored 'Isoleucine or valine' 0 C--O 1.254 1.314 0 C-N-CA 127.569 2.348 . . . . 0.0 111.542 179.258 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 67' ' ' ARG . . . . . . . . . . . . . 25.7 mtm105 -64.04 -23.44 67.33 Favored 'General case' 0 N--CA 1.499 1.991 0 N-CA-C 116.474 2.028 . . . . 0.0 116.474 177.379 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 68' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -81.11 -49.83 10.38 Favored 'General case' 0 C--O 1.204 -1.324 0 O-C-N 118.795 -2.44 . . . . 0.0 107.818 172.704 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 69' ' ' ALA . . . . . . . . . . . . . . . -64.19 -37.4 87.34 Favored 'General case' 0 C--O 1.184 -2.373 0 O-C-N 120.54 -1.35 . . . . 0.0 114.008 -173.252 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 70' ' ' VAL . . . . . . . . . . . . . 24.0 t -68.75 -36.18 73.13 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.699 0 N-CA-C 106.831 -1.544 . . . . 0.0 106.831 174.3 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 71' ' ' THR . . . . . . . . . . . . . 88.8 m -59.05 -44.06 91.77 Favored 'General case' 0 N--CA 1.425 -1.679 0 CA-C-O 115.008 -2.425 . . . . 0.0 114.033 173.564 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 72' ' ' TYR . . . . . . . . . . . . . 17.8 m-85 -68.06 -24.65 65.1 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 121.93 2.15 . . . . 0.0 113.663 173.289 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 73' ' ' THR . . . . . . . . . . . . . 94.1 m -80.3 -41.93 23.99 Favored 'General case' 0 CA--C 1.543 0.708 0 CA-C-O 122.395 1.093 . . . . 0.0 111.729 -175.308 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 74' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -60.13 -42.72 95.43 Favored 'General case' 0 CA--C 1.479 -1.781 0 C-N-CA 126.654 1.982 . . . . 0.0 109.966 172.355 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 75' ' ' HIS . . . . . . . . . . . . . 48.4 t-80 -79.12 -37.12 39.39 Favored 'General case' 0 N--CA 1.411 -2.41 0 CA-C-O 125.416 2.532 . . . . 0.0 112.658 -167.368 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 76' ' ' ALA . . . . . . . . . . . . . . . -69.94 10.55 0.39 Allowed 'General case' 0 C--O 1.275 2.421 0 O-C-N 116.854 -3.654 . . . . 0.0 114.613 158.676 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 77' ' ' LYS . . . . . . . . . . . . . 32.9 mmtm 70.31 13.34 7.59 Favored 'General case' 0 N--CA 1.496 1.836 0 C-N-CA 128.553 2.741 . . . . 0.0 116.522 169.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 78' ' ' ARG . . . . . . . . . . . . . 21.3 mtm105 -90.72 149.16 22.15 Favored 'General case' 0 C--N 1.296 -1.735 0 C-N-CA 127.233 2.213 . . . . 0.0 112.99 -173.721 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 79' ' ' LYS . . . . . . . . . . . . . 27.0 ttmt -78.37 -43.29 28.01 Favored 'General case' 0 N--CA 1.503 2.224 1 O-C-N 114.285 -5.259 . . . . 0.0 109.956 158.718 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' F' F ' 80' ' ' THR . . . . . . . . . . . . . 11.1 t -87.89 125.82 34.7 Favored 'General case' 0 N--CA 1.518 2.938 0 CA-C-N 115.166 -0.925 . . . . 0.0 110.836 -170.62 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 81' ' ' VAL . . . . . . . . . . . . . 48.7 t -73.6 129.33 36.32 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.952 1 C-N-CA 132.187 4.195 . . . . 0.0 107.688 174.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' F' F ' 82' ' ' THR . . . . . . . . . . . . 0.298 18.2 p -104.73 158.91 16.19 Favored 'General case' 0 C--O 1.26 1.64 0 O-C-N 120.679 -1.263 . . . . 0.0 113.185 -176.456 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' F' F ' 83' ' ' ALA . . . . . . . . . . . . . . . -62.13 -38.52 89.25 Favored 'General case' 0 CA--C 1.488 -1.418 0 CA-C-N 121.082 1.765 . . . . 0.0 111.901 178.15 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 84' ' ' MET . . . . . . . . . . . . . 31.5 ttp -60.31 -28.82 68.43 Favored 'General case' 0 N--CA 1.523 3.192 0 O-C-N 119.989 -1.695 . . . . 0.0 111.926 171.686 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 85' ' ' ASP . . . . . . . . . . . . . 25.7 m-20 -76.23 -29.13 57.43 Favored 'General case' 0 N--CA 1.481 1.075 1 O-C-N 114.861 -4.9 . . . . 0.0 114.367 178.19 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' F' F ' 86' ' ' VAL . . . . . . . . . . . . . 70.3 t -73.05 -51.24 27.23 Favored 'Isoleucine or valine' 0 N--CA 1.519 3.01 0 CA-C-O 114.447 -2.692 . . . . 0.0 111.613 169.036 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 87' ' ' VAL . . . . . . . . . . . . . 24.8 t -65.87 -31.69 54.84 Favored 'Isoleucine or valine' 0 CA--C 1.596 2.725 0 CA-C-O 123.401 1.572 . . . . 0.0 108.744 -179.122 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 88' ' ' TYR . . . . . . . . . . . . . 37.8 t80 -79.56 -22.67 43.51 Favored 'General case' 0 C--N 1.295 -1.782 0 O-C-N 118.443 -2.661 . . . . 0.0 114.094 178.032 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 89' ' ' ALA . . . . . . . . . . . . . . . -75.53 -36.57 60.47 Favored 'General case' 0 CA--C 1.468 -2.197 0 C-N-CA 119.289 -0.964 . . . . 0.0 110.845 164.331 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 90' ' ' LEU . . . . . . . . . . . . . 42.1 tp -65.68 -1.04 2.41 Favored 'General case' 0 N--CA 1.49 1.568 0 CA-C-O 123.762 1.744 . . . . 0.0 114.811 -177.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 91' ' ' LYS . . . . . . . . . . . . . 25.4 pttm -66.44 -25.97 66.99 Favored 'General case' 0 C--N 1.377 1.764 0 O-C-N 119.398 -2.064 . . . . 0.0 113.468 172.202 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 92' ' ' ARG . . . . . . . . . . . . . 58.9 ttm-85 -65.47 -34.88 79.32 Favored 'General case' 0 CA--C 1.51 -0.562 0 C-N-CA 129.119 2.968 . . . . 0.0 113.039 -171.415 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 93' ' ' GLN . . . . . . . . . . . . . 21.5 mp0 -73.08 -7.08 49.71 Favored 'General case' 0 CA--C 1.575 1.937 0 CA-C-O 115.353 -2.261 . . . . 0.0 110.82 -179.211 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 94' ' ' GLY . . . . . . . . . . . . . . . 65.63 -169.43 29.69 Favored Glycine 0 CA--C 1.496 -1.095 0 C-N-CA 127.495 2.474 . . . . 0.0 108.61 -173.583 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 95' ' ' ARG . . . . . . . . . . . . . 81.8 mmt-85 -121.57 146.92 46.47 Favored 'General case' 0 CA--C 1.481 -1.707 0 CA-C-O 127.462 3.506 . . . . 0.0 110.401 158.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 96' ' ' THR . . . . . . . . . . . . . 33.6 m -122.08 137.32 54.86 Favored 'General case' 0 C--O 1.208 -1.102 0 O-C-N 116.945 -3.597 . . . . 0.0 106.383 -170.129 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 97' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -139.44 129.34 24.87 Favored 'General case' 0 N--CA 1.523 3.183 0 N-CA-C 101.478 -3.527 . . . . 0.0 101.478 -166.322 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 98' ' ' TYR . . . . . . . . . . . . . 16.7 m-30 -68.19 7.71 0.54 Allowed 'General case' 0 N--CA 1.5 2.071 0 C-N-CA 128.798 2.839 . . . . 0.0 110.592 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 99' ' ' GLY . . . . . . . . . . . . . . . -171.59 179.56 43.25 Favored Glycine 1 C--O 1.3 4.245 0 CA-C-N 121.834 2.106 . . . . 0.0 115.555 -174.854 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' F' F ' 100' ' ' PHE . . . . . . . . . . . . . 31.2 m-85 -78.17 -43.9 27.37 Favored 'General case' 0 C--O 1.202 -1.431 0 CA-C-N 114.107 -1.047 . . . . 0.0 112.482 174.023 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.548 6.115 0 N-CA-C 109.18 -1.568 . . . . 0.0 109.18 -167.163 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 3.0 mmm . . . . . 0 CA--C 1.494 -1.18 0 N-CA-C 107.411 -1.329 . . . . 0.0 107.411 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.8 m 49.14 12.45 0.05 Allowed 'General case' 0 CA--C 1.605 3.082 0 N-CA-C 116.556 2.058 . . . . 0.0 116.556 -172.426 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 11.4 p-10 -94.71 -19.24 20.57 Favored 'General case' 0 N--CA 1.391 -3.401 0 O-C-N 125.493 1.746 . . . . 0.0 109.601 176.674 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 46.8 tt0 -149.33 133.46 17.25 Favored 'General case' 0 C--O 1.198 -1.606 0 CA-C-N 122.779 2.536 . . . . 0.0 110.392 -161.043 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 28.4 mm-40 -89.35 157.61 18.11 Favored 'General case' 0 N--CA 1.524 3.273 0 CA-C-N 110.497 -3.047 . . . . 0.0 111.381 169.663 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 69.1 m-80 -138.77 79.59 1.74 Allowed 'General case' 0 C--N 1.363 1.174 0 N-CA-C 104.586 -2.375 . . . . 0.0 104.586 179.198 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 61.6 mm-40 -113.73 -18.58 11.82 Favored 'General case' 0 N--CA 1.528 3.47 0 C-N-CA 126.24 1.816 . . . . 0.0 113.993 -171.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -74.42 162.86 28.43 Favored 'General case' 0 C--O 1.263 1.776 0 O-C-N 124.803 1.314 . . . . 0.0 111.027 176.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 20.7 tp10 -68.9 -37.1 78.77 Favored 'General case' 0 C--N 1.265 -3.105 0 CA-C-O 124.573 2.13 . . . . 0.0 113.332 -174.074 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 29.9 p80 -74.94 -20.39 59.7 Favored 'General case' 0 CA--C 1.586 2.35 0 N-CA-C 117.79 2.515 . . . . 0.0 117.79 163.827 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -87.45 -28.35 22.15 Favored 'General case' 0 C--O 1.27 2.171 0 N-CA-C 106.931 -1.507 . . . . 0.0 106.931 -179.595 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 90.0 mttt -64.54 -48.52 74.75 Favored 'General case' 0 C--O 1.195 -1.777 0 O-C-N 120.295 -1.503 . . . . 0.0 108.46 168.828 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.03 -45.73 71.67 Favored 'General case' 0 N--CA 1.485 1.325 0 O-C-N 116.715 -3.741 . . . . 0.0 112.354 176.397 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . 0.287 1.3 t80 -60.59 -37.65 82.06 Favored 'General case' 0 C--N 1.359 0.996 0 CA-C-O 115.736 -2.078 . . . . 0.0 114.155 173.864 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 17.1 mt -72.48 -32.1 65.93 Favored 'General case' 0 C--O 1.198 -1.623 0 O-C-N 125.743 1.902 . . . . 0.0 108.718 177.801 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -65.11 -45.95 90.06 Favored Glycine 0 C--O 1.205 -1.69 0 CA-C-O 117.303 -1.831 . . . . 0.0 110.225 176.173 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 24.6 tp -59.5 -36.11 75.41 Favored 'General case' 0 CA--C 1.484 -1.588 0 N-CA-C 115.532 1.679 . . . . 0.0 115.532 173.699 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -70.92 -17.99 62.67 Favored 'General case' 0 N--CA 1.425 -1.68 0 O-C-N 125.16 1.538 . . . . 0.0 113.225 179.383 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.0 tptm -96.09 -33.95 11.89 Favored 'General case' 0 CA--C 1.579 2.094 0 O-C-N 119.523 -1.986 . . . . 0.0 111.349 169.658 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.8 t -56.82 -35.19 68.5 Favored 'General case' 0 N--CA 1.502 2.164 0 CA-C-O 124.312 2.006 . . . . 0.0 112.831 178.08 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -54.32 -40.61 68.14 Favored 'General case' 0 C--O 1.258 1.55 0 O-C-N 118.245 -2.784 . . . . 0.0 107.638 173.076 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 72.2 mm-40 -74.98 -25.03 58.55 Favored 'General case' 0 CA--C 1.586 2.351 0 CA-C-N 122.805 2.548 . . . . 0.0 116.038 176.543 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -67.14 -37.77 84.37 Favored 'General case' 0 CA--C 1.492 -1.283 0 C-N-CA 125.878 1.671 . . . . 0.0 114.374 163.039 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 71.7 t -64.86 -46.59 91.42 Favored 'Isoleucine or valine' 0 C--N 1.37 1.478 0 O-C-N 119.964 -1.71 . . . . 0.0 111.573 176.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 85.8 m-20 -55.49 -47.66 75.83 Favored 'General case' 0 CA--C 1.606 3.114 0 CA-C-O 126.965 3.269 . . . . 0.0 111.383 177.07 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.86 -31.01 71.72 Favored 'General case' 0 CA--C 1.549 0.906 0 O-C-N 119.664 -1.898 . . . . 0.0 113.016 -177.569 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 7.5 mm -82.19 -27.03 9.11 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.228 0 CA-C-O 114.974 -2.441 . . . . 0.0 116.572 161.598 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -57.55 -31.46 66.13 Favored 'General case' 0 CA--C 1.592 2.585 0 O-C-N 125.3 1.625 . . . . 0.0 111.911 163.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 57.9 ttt-85 -72.45 -52.06 17.51 Favored 'General case' 0 N--CA 1.402 -2.835 0 O-C-N 117.609 -3.182 . . . . 0.0 112.28 170.537 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 44.6 tp10 -52.72 -35.89 56.62 Favored 'General case' 0 C--N 1.3 -1.549 0 CA-C-O 124.473 2.082 . . . . 0.0 113.691 173.851 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 3.8 t -75.62 -36.11 33.38 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.062 0 O-C-N 117.316 -3.365 . . . . 0.0 111.968 173.622 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -68.78 -32.44 72.18 Favored 'General case' 0 C--O 1.265 1.899 0 C-N-CA 118.912 -1.115 . . . . 0.0 109.036 174.534 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 64.1 mt -63.38 -37.87 88.95 Favored 'General case' 0 CA--C 1.597 2.752 0 C-N-CA 118.739 -1.185 . . . . 0.0 113.015 175.474 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 36.3 t80 -65.23 -38.85 91.69 Favored 'General case' 0 C--O 1.215 -0.721 0 O-C-N 127.317 2.885 . . . . 0.0 112.181 174.076 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 28.7 ttp-105 -63.91 -49.56 72.15 Favored 'General case' 0 C--N 1.392 2.447 0 C-N-CA 128.316 2.646 . . . . 0.0 113.972 -179.515 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 49.9 mt -56.15 -44.31 79.12 Favored 'General case' 0 C--O 1.278 2.558 0 CA-C-N 114.557 -1.201 . . . . 0.0 108.214 173.031 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 48.9 t30 -74.16 -38.73 63.61 Favored 'General case' 0 N--CA 1.507 2.414 0 CA-C-O 115.508 -2.187 . . . . 0.0 109.167 -170.142 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 22.8 mmtm -70.19 -38.83 75.43 Favored 'General case' 0 C--N 1.365 1.275 0 N-CA-C 119.147 3.018 . . . . 0.0 119.147 178.304 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 75.6 mmm -53.82 -49.45 68.36 Favored 'General case' 0 CA--C 1.51 -0.571 0 C-N-CA 128.405 2.682 . . . . 0.0 108.083 163.64 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -47.14 -51.67 39.67 Favored Pre-proline 0 C--N 1.285 -2.2 0 C-N-CA 129.551 3.14 . . . . 0.0 114.972 -169.622 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_endo -68.29 -35.91 17.57 Favored 'Trans proline' 0 C--N 1.307 -1.627 0 N-CA-C 116.646 1.749 . . . . 0.0 116.646 171.644 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 7.8 p -70.66 -28.92 36.02 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.679 0 CA-C-O 113.698 -3.048 . . . . 0.0 112.887 170.774 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . 0.321 23.1 m-85 -51.42 -45.58 62.65 Favored 'General case' 0 CA--C 1.542 0.653 0 O-C-N 125.711 1.882 . . . . 0.0 111.259 166.025 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . 0.263 28.6 tp10 -59.19 -55.73 31.15 Favored 'General case' 0 CA--C 1.569 1.708 0 O-C-N 119.754 -1.841 . . . . 0.0 112.042 172.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 70.6 mttt -58.82 -39.29 80.75 Favored 'General case' 0 CA--C 1.49 -1.358 0 N-CA-C 115.086 1.513 . . . . 0.0 115.086 -178.137 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 45.8 ttp180 -60.75 -59.44 5.38 Favored 'General case' 0 C--N 1.356 0.891 0 C-N-CA 126.849 2.06 . . . . 0.0 108.845 178.461 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 37.7 m-20 -75.08 -17.92 60.38 Favored 'General case' 0 N--CA 1.413 -2.311 0 O-C-N 120.19 -1.569 . . . . 0.0 112.128 -165.276 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -53.96 -43.97 70.33 Favored 'General case' 0 CA--C 1.562 1.413 0 CA-C-O 117.255 -1.355 . . . . 0.0 111.48 164.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.416 ' CE1' ' HA3' ' B' ' 17' ' ' GLY . 64.1 m-85 -77.01 -37.94 54.05 Favored 'General case' 0 N--CA 1.429 -1.524 0 CA-C-N 122.682 2.492 . . . . 0.0 110.926 175.165 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 69.9 mt -53.46 -45.49 58.05 Favored 'Isoleucine or valine' 0 CA--C 1.478 -1.805 0 CA-C-O 116.212 -1.851 . . . . 0.0 110.736 174.484 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 57.1 m-20 -56.18 -17.82 8.4 Favored 'General case' 0 CA--C 1.573 1.828 0 C-N-CA 126.869 2.067 . . . . 0.0 113.442 -179.238 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 70.0 mm-40 -89.03 -27.47 20.82 Favored 'General case' 1 N--CA 1.54 4.052 0 O-C-N 119.049 -2.282 . . . . 0.0 115.221 175.476 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 9.5 mm -71.42 139.86 19.17 Favored 'Isoleucine or valine' 0 C--N 1.4 2.762 0 O-C-N 118.934 -2.354 . . . . 0.0 114.861 -176.102 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . 0.267 . . -77.08 139.18 39.93 Favored 'General case' 0 C--O 1.211 -0.929 0 O-C-N 120.951 -1.093 . . . . 0.0 111.494 177.45 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . 0.311 8.5 mm-40 61.72 3.87 0.96 Allowed 'General case' 0 C--N 1.291 -1.945 0 N-CA-C 118.68 2.845 . . . . 0.0 118.68 170.696 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 24.7 t80 -46.0 -58.86 3.22 Favored 'General case' 0 C--N 1.37 1.464 0 C-N-CA 128.088 2.555 . . . . 0.0 112.948 -167.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 91.8 m95 -68.63 -35.11 76.86 Favored 'General case' 0 CA--C 1.607 3.163 0 O-C-N 120.224 -1.547 . . . . 0.0 112.523 -178.095 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 44.2 tttm -63.58 -33.09 74.84 Favored 'General case' 0 CA--C 1.555 1.144 0 CA-C-N 119.428 1.013 . . . . 0.0 111.156 175.49 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 90.8 mt -69.0 -48.14 71.62 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.492 0 C-N-CA 126.554 1.942 . . . . 0.0 112.491 172.307 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 24.1 t -54.44 -48.95 68.57 Favored 'Isoleucine or valine' 0 N--CA 1.513 2.711 0 C-N-CA 127.36 2.264 . . . . 0.0 106.308 177.108 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 56.0 mt -77.54 -3.14 39.17 Favored 'General case' 0 N--CA 1.538 3.926 0 C-N-CA 129.286 3.034 . . . . 0.0 114.975 177.171 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 61.6 m -93.73 -37.08 11.98 Favored 'General case' 0 CA--C 1.568 1.66 0 O-C-N 119.318 -2.113 . . . . 0.0 112.916 165.733 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 28.4 mm100 -65.73 -28.25 68.91 Favored 'General case' 0 CA--C 1.599 2.85 0 O-C-N 119.344 -2.097 . . . . 0.0 114.242 160.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . 0.292 2.9 t-80 -87.26 75.56 9.31 Favored 'General case' 0 C--O 1.271 2.234 0 CA-C-O 127.465 3.507 . . . . 0.0 115.795 -172.013 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 34.2 m -71.54 -21.68 21.58 Favored 'Isoleucine or valine' 0 N--CA 1.51 2.57 0 O-C-N 118.174 -2.828 . . . . 0.0 114.197 -168.24 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 32.2 m -61.24 -42.23 98.25 Favored 'General case' 0 N--CA 1.498 1.969 0 C-N-CA 117.018 -1.873 . . . . 0.0 114.375 165.615 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -68.03 -41.08 82.67 Favored 'General case' 0 C--O 1.259 1.579 0 CA-C-O 117.324 -1.322 . . . . 0.0 113.037 171.02 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.4 -3.4 1.37 Allowed 'General case' 0 N--CA 1.487 1.424 0 CA-C-O 114.433 -2.699 . . . . 0.0 115.963 169.134 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 53.3 t30 -93.32 -33.79 13.77 Favored 'General case' 0 C--O 1.272 2.276 0 O-C-N 126.503 2.377 . . . . 0.0 116.299 159.348 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 15.9 m-85 -76.22 -33.02 59.22 Favored 'General case' 0 C--O 1.261 1.696 0 O-C-N 117.354 -3.341 . . . . 0.0 110.831 177.517 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 43.5 mm -99.55 130.88 47.92 Favored 'Isoleucine or valine' 0 C--N 1.411 3.243 0 O-C-N 120.778 -1.201 . . . . 0.0 112.068 179.528 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 1.4 ptm180 -91.45 122.43 34.04 Favored 'General case' 0 C--N 1.295 -1.781 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.765 -171.213 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.502 ' HA ' ' CD1' ' A' ' 77' ' ' PHE . . . -51.43 -13.07 0.19 Allowed 'General case' 0 N--CA 1.436 -1.172 0 N-CA-C 119.868 3.284 . . . . 0.0 119.868 -170.847 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 18.4 m -65.19 -30.6 71.52 Favored 'General case' 0 CA--C 1.598 2.819 0 CA-C-O 127.487 3.518 . . . . 0.0 114.018 167.048 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -76.96 -15.27 59.71 Favored 'General case' 0 N--CA 1.521 3.107 0 O-C-N 117.258 -3.401 . . . . 0.0 109.449 176.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.55 ' HA ' HG12 ' A' ' 80' ' ' ILE . 6.4 m-30 -56.97 -37.85 72.17 Favored 'General case' 0 C--O 1.258 1.512 0 N-CA-C 117.267 2.321 . . . . 0.0 117.267 -164.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . 0.265 12.0 ptpt -53.11 -34.35 56.27 Favored 'General case' 0 N--CA 1.427 -1.609 0 N-CA-C 113.52 0.933 . . . . 0.0 113.52 171.233 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 75.7 m-85 -83.58 -46.21 12.65 Favored 'General case' 0 N--CA 1.513 2.719 0 CA-C-O 116.717 -1.611 . . . . 0.0 111.256 179.061 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.55 HG12 ' HA ' ' A' ' 77' ' ' PHE . 3.2 pt -67.55 -20.1 25.97 Favored 'Isoleucine or valine' 0 C--O 1.185 -2.307 0 CA-C-N 121.285 1.857 . . . . 0.0 111.217 177.538 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . 0.294 95.7 m-20 -66.67 -17.23 64.73 Favored 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 118.059 2.614 . . . . 0.0 118.059 170.797 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 11.7 p -77.93 -5.59 51.6 Favored 'General case' 0 C--O 1.262 1.714 0 N-CA-C 114.582 1.327 . . . . 0.0 114.582 166.639 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . 0.256 81.3 mt -54.99 114.62 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.385 2.141 0 O-C-N 120.661 -1.274 . . . . 0.0 108.219 174.588 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . 0.254 42.3 t0 -99.04 -28.38 13.42 Favored 'General case' 0 C--N 1.285 -2.198 0 C-N-CA 130.434 3.494 . . . . 0.0 112.678 169.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 44.5 tttp -145.02 129.48 17.9 Favored 'General case' 0 N--CA 1.49 1.566 0 CA-C-N 123.702 2.955 . . . . 0.0 111.293 -179.519 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 21.3 mt -114.06 136.19 51.35 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.821 0 CA-C-O 127.398 3.475 . . . . 0.0 107.703 161.055 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 73.0 tttt -131.24 157.91 41.98 Favored 'General case' 0 N--CA 1.506 2.35 0 O-C-N 116.739 -3.726 . . . . 0.0 104.825 167.429 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 21.7 t -141.18 139.8 32.79 Favored 'Isoleucine or valine' 0 C--O 1.201 -1.483 0 CA-C-N 111.233 -2.712 . . . . 0.0 106.413 169.825 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . 0.259 3.5 pt-20 -138.7 142.01 38.95 Favored 'General case' 0 CA--C 1.577 2.006 0 CA-C-O 113.192 -3.29 . . . . 0.0 108.926 -178.855 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 1.8 m-90 -94.89 120.03 34.43 Favored 'General case' 0 C--O 1.262 1.759 1 O-C-N 129.376 4.172 . . . . 0.0 112.62 -178.451 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.438 ' HB3' ' CD1' ' A' ' 98' ' ' TYR . 70.3 mt -69.24 -24.0 63.94 Favored 'General case' 0 CA--C 1.469 -2.155 0 N-CA-C 115.461 1.652 . . . . 0.0 115.461 -160.696 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -59.86 -18.12 41.92 Favored 'General case' 0 N--CA 1.486 1.329 0 O-C-N 118.315 -2.74 . . . . 0.0 115.003 -178.353 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 44.7 mt -82.25 -28.35 31.93 Favored 'General case' 0 N--CA 1.422 -1.838 0 O-C-N 126.778 2.549 . . . . 0.0 116.543 176.566 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -78.29 -25.42 46.64 Favored 'General case' 0 C--O 1.246 0.882 0 O-C-N 126.719 2.512 . . . . 0.0 112.423 174.613 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 9.3 t -169.08 159.61 9.28 Favored 'General case' 0 CA--C 1.549 0.931 0 O-C-N 124.594 1.184 . . . . 0.0 111.974 -174.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 67.6 mm-40 -67.79 -22.05 65.2 Favored 'General case' 0 N--CA 1.44 -0.932 0 C-N-CA 127.599 2.36 . . . . 0.0 115.606 166.395 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 6.4 ttt -61.18 -22.25 64.56 Favored 'General case' 0 CA--C 1.501 -0.913 0 O-C-N 124.934 1.396 . . . . 0.0 114.321 -178.418 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.438 ' CD1' ' HB3' ' A' ' 91' ' ' LEU . 69.0 m-85 -107.15 165.29 11.47 Favored 'General case' 0 C--O 1.267 2.003 0 C-N-CA 128.603 2.761 . . . . 0.0 110.901 175.586 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -101.25 165.16 11.43 Favored 'General case' 0 C--N 1.369 1.449 0 O-C-N 116.315 -3.991 . . . . 0.0 112.221 166.573 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 25.0 p -62.46 -16.96 58.24 Favored 'General case' 0 C--O 1.254 1.304 0 N-CA-C 113.878 1.066 . . . . 0.0 113.878 174.61 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 10.2 mmp_? -62.59 -23.87 67.26 Favored 'General case' 0 N--CA 1.52 3.04 0 O-C-N 117.572 -3.205 . . . . 0.0 112.06 165.156 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 61.8 m-20 -101.0 146.55 27.27 Favored 'General case' 0 C--N 1.37 1.493 0 C-N-CA 115.861 -2.336 . . . . 0.0 112.363 -160.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 50.3 p90 -142.74 155.0 44.79 Favored 'General case' 0 CA--C 1.57 1.715 0 O-C-N 117.659 -3.15 . . . . 0.0 110.981 -162.544 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 41.5 t -133.67 131.07 39.08 Favored 'General case' 0 N--CA 1.5 2.031 0 O-C-N 120.112 -1.618 . . . . 0.0 108.927 169.57 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 14.3 mt -94.35 137.27 23.42 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.343 0 N-CA-C 106.765 -1.568 . . . . 0.0 106.765 -172.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 87.1 m -123.58 139.95 53.48 Favored 'General case' 0 C--O 1.204 -1.293 0 C-N-CA 125.163 1.385 . . . . 0.0 113.742 170.1 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -127.36 143.28 51.24 Favored 'General case' 0 CA--C 1.466 -2.265 0 C-N-CA 126.778 2.031 . . . . 0.0 114.789 169.794 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 84.0 t60 -115.41 141.17 48.4 Favored 'General case' 0 N--CA 1.524 3.248 0 O-C-N 120.151 -1.593 . . . . 0.0 108.181 154.495 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 33.5 m-85 -120.9 120.71 36.28 Favored 'General case' 0 N--CA 1.426 -1.648 0 C-N-CA 130.039 3.336 . . . . 0.0 111.873 177.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . 0.29 27.4 t60 -65.69 -17.53 64.67 Favored 'General case' 0 C--O 1.253 1.237 0 O-C-N 128.345 3.528 . . . . 0.0 113.303 179.678 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 72.17 172.93 19.45 Favored Glycine 0 C--O 1.185 -2.919 0 CA-C-O 126.839 3.466 . . . . 0.0 117.418 178.422 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 32.9 mt -130.73 118.97 44.25 Favored 'Isoleucine or valine' 0 C--N 1.382 1.98 0 O-C-N 116.832 -3.746 . . . . 0.0 106.984 175.147 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -54.97 122.11 10.17 Favored 'General case' 0 N--CA 1.487 1.416 0 CA-C-O 122.748 1.261 . . . . 0.0 108.926 -179.142 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 96.71 2.25 59.91 Favored Glycine 0 CA--C 1.564 3.117 1 CA-C-O 110.583 -5.565 . . . . 0.0 115.144 176.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 115' ' ' ASP . . . . . 0.429 ' O ' ' HA ' ' A' ' 149' ' ' PRO . 20.2 t0 -148.81 -39.3 0.16 Allowed 'General case' 0 C--O 1.191 -1.997 0 CA-C-N 122.594 3.197 . . . . 0.0 112.575 -177.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.403 ' CE1' ' NE2' ' A' ' 119' ' ' GLN . 61.4 t80 -137.17 126.74 25.21 Favored 'General case' 0 CA--C 1.569 1.687 0 O-C-N 120.446 -1.409 . . . . 0.0 108.686 -168.738 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 27.4 mtpp -70.18 139.46 52.36 Favored 'General case' 0 CA--C 1.579 2.068 0 CA-C-O 124.418 2.056 . . . . 0.0 111.408 -179.725 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -60.64 124.4 20.29 Favored 'General case' 1 N--CA 1.572 5.638 0 O-C-N 119.92 -1.738 . . . . 0.0 110.172 160.879 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 119' ' ' GLN . . . . . 0.403 ' NE2' ' CE1' ' A' ' 116' ' ' PHE . 9.8 pt20 -165.54 137.48 4.08 Favored 'General case' 0 N--CA 1.449 -0.524 0 N-CA-C 120.043 3.349 . . . . 0.0 120.043 -170.719 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 25.2 tt0 -100.18 141.75 32.58 Favored 'General case' 0 N--CA 1.535 3.779 0 O-C-N 126.828 2.58 . . . . 0.0 107.624 177.432 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 24.0 t -151.54 125.63 1.41 Allowed 'Isoleucine or valine' 0 N--CA 1.417 -2.098 0 C-N-CA 125.143 1.377 . . . . 0.0 110.609 -173.162 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 53.1 m -111.57 133.97 53.48 Favored 'General case' 0 C--O 1.275 2.444 0 C-N-CA 128.466 2.706 . . . . 0.0 112.107 176.392 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' LYS . . . . . 0.469 ' HE2' ' O ' ' A' ' 182' ' ' TRP . 64.9 tttp -134.26 118.62 17.76 Favored 'General case' 0 C--N 1.371 1.54 0 O-C-N 117.066 -3.522 . . . . 0.0 108.764 -174.036 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 17.4 t -74.6 138.76 20.41 Favored 'Isoleucine or valine' 0 C--N 1.382 1.996 0 CA-C-O 126.007 2.813 . . . . 0.0 112.327 177.75 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 76.7 m-85 -134.88 158.75 43.44 Favored 'General case' 0 N--CA 1.483 1.216 0 O-C-N 116.831 -3.668 . . . . 0.0 109.672 171.706 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -155.9 129.75 8.55 Favored 'General case' 0 C--N 1.365 1.256 0 C-N-CA 131.573 3.949 . . . . 0.0 112.566 -166.858 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 21.3 mt -93.24 149.68 4.17 Favored 'Isoleucine or valine' 0 C--O 1.248 0.991 0 CA-C-N 120.769 1.622 . . . . 0.0 113.078 169.695 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 50.3 mmtt -90.59 -176.84 4.86 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 116.786 -3.696 . . . . 0.0 113.599 -179.056 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 59.6 tttt 61.14 71.46 0.56 Allowed 'General case' 0 C--N 1.305 -1.366 0 CA-C-O 124.209 1.956 . . . . 0.0 114.79 172.527 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -70.62 178.87 31.19 Favored Glycine 0 C--O 1.269 2.286 0 O-C-N 119.379 -2.076 . . . . 0.0 114.065 165.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . 0.333 55.1 mttm -59.91 138.56 57.79 Favored 'General case' 0 C--N 1.296 -1.723 0 C-N-CA 127.553 2.341 . . . . 0.0 110.345 177.3 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 66.32 -2.94 0.9 Allowed 'General case' 0 CA--C 1.574 1.903 0 O-C-N 126.57 2.419 . . . . 0.0 115.698 -166.427 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 69.9 m-20 -81.88 154.11 26.01 Favored 'General case' 1 N--CA 1.541 4.096 0 O-C-N 118.589 -2.569 . . . . 0.0 115.3 179.689 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 87.4 mm-40 -118.71 0.61 11.5 Favored 'General case' 0 C--O 1.254 1.316 0 C-N-CA 128.782 2.833 . . . . 0.0 114.725 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -69.17 172.48 6.82 Favored 'General case' 0 C--N 1.361 1.096 0 O-C-N 119.947 -1.721 . . . . 0.0 113.732 169.001 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 77.4 m-20 -78.2 135.14 37.55 Favored 'General case' 0 N--CA 1.488 1.47 0 N-CA-C 113.358 0.873 . . . . 0.0 113.358 170.52 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -73.97 37.77 0.93 Allowed Glycine 0 N--CA 1.493 2.499 0 C-N-CA 127.771 2.605 . . . . 0.0 119.165 176.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 138' ' ' ILE . . . . . . . . . . . . . 16.3 pt -64.17 152.38 8.38 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 O-C-N 127.579 2.576 . . . . 0.0 114.56 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 26.1 tp -92.93 137.64 32.18 Favored 'General case' 0 C--O 1.26 1.656 0 CA-C-O 115.276 -2.297 . . . . 0.0 115.575 164.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 140' ' ' THR . . . . . . . . . . . . . 43.4 p -149.44 158.08 43.86 Favored 'General case' 0 C--N 1.368 1.392 0 O-C-N 125.741 1.901 . . . . 0.0 106.167 -160.231 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 46.8 t -149.93 154.73 38.76 Favored 'General case' 0 CA--C 1.564 1.517 0 C-N-CA 124.888 1.275 . . . . 0.0 109.495 -170.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 47.9 mm-40 -82.82 144.81 48.87 Favored Pre-proline 0 N--CA 1.485 1.307 0 O-C-N 123.884 0.74 . . . . 0.0 110.366 165.446 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -76.4 145.42 26.82 Favored 'Trans proline' 0 CA--C 1.57 2.323 1 C-N-CA 125.582 4.188 . . . . 0.0 105.407 -177.748 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 43.7 t -142.77 134.25 12.94 Favored Pre-proline 0 C--O 1.258 1.548 0 CA-C-N 121.376 1.898 . . . . 0.0 110.17 -174.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -61.19 154.2 59.47 Favored 'Trans proline' 0 C--N 1.37 1.689 0 O-C-N 113.567 -3.965 . . . . 0.0 110.382 -171.627 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 15.1 tt -157.5 140.21 6.24 Favored 'Isoleucine or valine' 0 CA--C 1.568 1.664 0 O-C-N 120.29 -1.506 . . . . 0.0 112.357 167.746 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 41.8 mm-40 -77.27 101.99 6.5 Favored 'General case' 0 C--N 1.393 2.497 0 CA-C-O 115.582 -2.151 . . . . 0.0 110.042 -173.036 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 148' ' ' TRP . . . . . . . . . . . . . 11.4 m0 -74.53 150.36 86.83 Favored Pre-proline 0 N--CA 1.437 -1.113 0 CA-C-N 125.84 3.927 . . . . 0.0 112.406 -174.53 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 149' ' ' PRO . . . . . 0.429 ' HA ' ' O ' ' A' ' 115' ' ' ASP . 11.0 Cg_endo -52.48 139.61 55.77 Favored 'Trans proline' 0 C--O 1.268 2.016 0 C-N-CA 125.23 3.954 . . . . 0.0 108.41 175.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -65.27 -21.76 66.77 Favored 'General case' 0 C--N 1.4 2.786 0 N-CA-C 117.392 2.367 . . . . 0.0 117.392 178.476 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 56.2 p -81.96 -3.52 54.54 Favored 'General case' 0 N--CA 1.504 2.254 0 C-N-CA 125.192 1.397 . . . . 0.0 111.758 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 152' ' ' TYR . . . . . . . . . . . . . 4.1 m-30 -92.9 1.4 57.31 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 117.645 -3.159 . . . . 0.0 112.438 173.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 36.7 p-10 -70.09 -12.18 61.42 Favored 'General case' 0 N--CA 1.507 2.396 0 O-C-N 117.821 -3.049 . . . . 0.0 113.818 -162.49 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 88.0 p -73.6 -19.89 60.75 Favored 'General case' 0 N--CA 1.439 -0.997 0 C-N-CA 128.341 2.656 . . . . 0.0 116.372 164.851 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 14.1 pt -120.77 -23.6 3.13 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.251 0 O-C-N 117.311 -3.368 . . . . 0.0 110.953 174.098 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 62.9 t-20 -52.04 113.86 4.71 Favored Pre-proline 0 CA--C 1.613 3.398 0 CA-C-N 121.712 2.051 . . . . 0.0 114.38 173.171 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 157' ' ' PRO . . . . . . . . . . . . 0.279 24.6 Cg_exo -46.46 -32.24 10.92 Favored 'Trans proline' 0 C--N 1.362 1.238 0 C-N-CA 122.49 2.127 . . . . 0.0 116.84 174.552 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 158' ' ' ASP . . . . . . . . . . . . 0.302 40.3 m-20 -73.64 -24.06 59.96 Favored 'General case' 0 CA--C 1.569 1.69 0 CA-C-O 124.102 1.906 . . . . 0.0 115.433 178.872 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 69.7 mt -121.3 -9.54 9.06 Favored 'General case' 0 C--N 1.272 -2.775 0 N-CA-C 118.338 2.718 . . . . 0.0 118.338 -173.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 160' ' ' ILE . . . . . . . . . . . . 0.356 5.8 pt -69.15 132.15 33.31 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.714 0 CA-C-O 115.282 -2.294 . . . . 0.0 114.981 163.239 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 41.9 pttt -73.21 -8.06 54.14 Favored 'General case' 0 C--O 1.2 -1.532 0 O-C-N 128.119 3.387 . . . . 0.0 111.063 -168.566 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 162' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -163.9 141.9 7.35 Favored 'General case' 0 C--O 1.27 2.139 0 CA-C-O 122.462 1.125 . . . . 0.0 111.181 -171.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 9.9 mptt -114.89 -5.26 12.58 Favored 'General case' 0 CA--C 1.588 2.427 0 CA-C-O 115.924 -1.988 . . . . 0.0 107.881 -179.582 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 164' ' ' ARG . . . . . 0.534 ' O ' ' HE3' ' A' ' 169' ' ' LYS 0.554 9.7 ptp85 -100.22 -25.72 14.17 Favored 'General case' 0 N--CA 1.496 1.871 0 CA-C-O 114.186 -2.816 . . . . 0.0 115.053 -163.874 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 50.6 p -67.1 165.81 24.67 Favored Pre-proline 0 C--O 1.193 -1.887 0 CA-C-O 114.083 -2.865 . . . . 0.0 110.952 173.19 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 166' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_exo -56.62 -42.98 59.46 Favored 'Trans proline' 0 CA--C 1.568 2.194 0 CA-C-N 121.721 1.65 . . . . 0.0 115.913 171.181 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -56.45 -48.16 77.63 Favored 'General case' 0 C--N 1.297 -1.678 0 C-N-CA 127.627 2.371 . . . . 0.0 111.155 170.484 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -67.3 -28.32 73.66 Favored Glycine 0 N--CA 1.501 2.997 0 CA-C-O 118.848 -0.973 . . . . 0.0 112.183 -179.601 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 169' ' ' LYS . . . . . 0.534 ' HE3' ' O ' ' A' ' 164' ' ' ARG . 74.9 mttt -68.97 -30.29 68.68 Favored 'General case' 0 C--O 1.255 1.368 0 C-N-CA 126.612 1.965 . . . . 0.0 112.06 171.04 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 50.5 mttm -83.86 -48.25 10.24 Favored 'General case' 0 CA--C 1.496 -1.104 0 O-C-N 125.529 1.768 . . . . 0.0 109.158 -179.023 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 171' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -53.04 -45.68 68.14 Favored 'General case' 0 N--CA 1.418 -2.045 0 CA-C-O 116.612 -1.661 . . . . 0.0 113.954 167.41 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 172' ' ' TYR . . . . . . . . . . . . . 43.6 t80 -60.44 -47.58 85.49 Favored 'General case' 0 C--O 1.183 -2.416 0 CA-C-O 116.682 -1.628 . . . . 0.0 114.764 169.755 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 86.4 mtm-85 -56.85 -44.1 81.8 Favored 'General case' 0 C--N 1.36 1.026 0 C-N-CA 128.601 2.76 . . . . 0.0 115.842 175.864 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 174' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 -72.93 -39.54 66.18 Favored 'General case' 0 C--O 1.174 -2.916 0 O-C-N 125.741 1.901 . . . . 0.0 106.253 178.866 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -60.95 -51.7 56.93 Favored Glycine 0 CA--C 1.555 2.544 0 N-CA-C 107.556 -2.218 . . . . 0.0 107.556 174.327 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 176' ' ' MET . . . . . . . . . . . . . 10.4 ptt? -72.95 -3.45 25.98 Favored 'General case' 0 N--CA 1.493 1.679 0 N-CA-C 115.612 1.708 . . . . 0.0 115.612 -172.798 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 177' ' ' LYS . . . . . 0.599 ' HE3' ' HG2' ' C' ' 378' ' ' GLU 0.4 40.5 tttm -87.8 -8.38 56.01 Favored 'General case' 0 CA--C 1.553 1.078 0 C-N-CA 128.79 2.836 . . . . 0.0 111.179 177.07 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 35.0 p -90.15 154.14 19.99 Favored 'General case' 0 CA--C 1.572 1.791 0 O-C-N 118.481 -2.637 . . . . 0.0 113.275 -172.448 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 179' ' ' ILE . . . . . . . . . . . . . 8.2 tp -44.28 -33.25 0.87 Allowed 'Isoleucine or valine' 0 C--O 1.265 1.888 0 O-C-N 127.788 3.18 . . . . 0.0 114.893 171.439 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 180' ' ' PHE . . . . . . . . . . . . 0.254 1.7 m-85 -83.91 -22.29 31.61 Favored 'General case' 0 N--CA 1.408 -2.525 0 O-C-N 118.113 -2.867 . . . . 0.0 110.843 -177.048 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 181' ' ' GLY . . . . . . . . . . . . . . . -62.68 -39.22 97.65 Favored Glycine 0 C--O 1.208 -1.509 0 C-N-CA 127.898 2.666 . . . . 0.0 116.292 167.144 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 182' ' ' TRP . . . . . 0.469 ' O ' ' HE2' ' A' ' 123' ' ' LYS . 27.0 t90 -65.64 -23.2 66.75 Favored 'General case' 0 CA--C 1.588 2.428 0 CA-C-O 115.976 -1.964 . . . . 0.0 110.851 175.739 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 183' ' ' PHE . . . . . . . . . . . . . 16.2 m-85 -78.07 -24.37 47.71 Favored 'General case' 0 C--O 1.201 -1.452 0 CA-C-O 123.993 1.854 . . . . 0.0 109.789 -179.152 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 184' ' ' ARG . . . . . . . . . . . . . 20.2 tpp85 -81.45 -25.72 35.87 Favored 'General case' 0 N--CA 1.524 3.236 2 O-C-N 115.458 -4.526 . . . . 0.0 112.473 168.552 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 185' ' ' TRP . . . . . . . . . . . . . 60.6 t90 -55.42 149.32 13.5 Favored 'General case' 0 N--CA 1.417 -2.102 0 N-CA-C 115.756 1.761 . . . . 0.0 115.756 176.088 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 24.7 p -147.47 -7.0 0.46 Allowed 'General case' 0 C--N 1.287 -2.123 0 O-C-N 119.425 -2.047 . . . . 0.0 113.621 -170.303 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . 85.15 15.36 67.1 Favored Glycine 0 N--CA 1.486 2.01 0 CA-C-N 120.258 1.39 . . . . 0.0 115.757 177.185 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 96.0 mt -131.67 7.23 4.44 Favored 'General case' 0 CA--C 1.564 1.493 0 N-CA-C 116.376 1.991 . . . . 0.0 116.376 -170.84 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . 38.7 mtmt -140.43 66.58 29.71 Favored Pre-proline 0 CA--C 1.489 -1.396 0 CA-C-O 115.004 -2.427 . . . . 0.0 111.01 -167.576 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 190' ' ' PRO . . . . . . . . . . . . . 76.8 Cg_exo -65.4 130.71 25.98 Favored 'Trans proline' 0 C--N 1.372 1.8 0 O-C-N 125.577 2.356 . . . . 0.0 114.255 -173.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 191' ' ' GLY . . . . . . . . . . . . . . . 82.6 4.01 90.28 Favored Glycine 0 CA--C 1.555 2.594 0 CA-C-O 115.453 -2.86 . . . . 0.0 115.571 -174.529 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 192' ' ' LYS . . . . . . . . . . . . . 46.3 mttp -126.13 2.35 7.18 Favored 'General case' 0 N--CA 1.499 1.984 0 C-N-CA 126.738 2.015 . . . . 0.0 111.203 173.121 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 193' ' ' GLU . . . . . . . . . . . . . 23.9 pt-20 -144.61 166.9 23.86 Favored 'General case' 0 C--O 1.267 2.013 0 N-CA-C 115.821 1.786 . . . . 0.0 115.821 176.455 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 194' ' ' PHE . . . . . . . . . . . . . 51.0 t80 -46.24 113.22 2.07 Favored Pre-proline 0 N--CA 1.492 1.665 0 C-N-CA 128.041 2.537 . . . . 0.0 114.413 -165.85 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 195' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo -61.2 139.94 86.31 Favored 'Trans proline' 0 N--CA 1.434 -1.975 0 N-CA-C 115.481 1.3 . . . . 0.0 115.481 -176.118 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 196' ' ' HIS . . . . . . . . . . . . . 17.8 m-70 66.55 23.03 10.48 Favored 'General case' 0 CA--C 1.559 1.306 0 C-N-CA 125.296 1.439 . . . . 0.0 112.522 179.476 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 197' ' ' GLY . . . . . . . . . . . . . . . -66.26 -17.83 66.54 Favored Glycine 0 C--N 1.383 3.148 0 CA-C-O 114.637 -3.313 . . . . 0.0 111.337 179.021 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 198' ' ' ASP . . . . . . . . . . . . . 26.5 p-10 -74.03 -46.21 44.82 Favored 'General case' 0 N--CA 1.517 2.911 0 CA-C-O 113.385 -3.198 . . . . 0.0 115.173 162.481 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 199' ' ' SER . . . . . . . . . . . . . 74.0 m -69.61 -39.18 77.38 Favored 'General case' 0 C--N 1.299 -1.606 0 CA-C-N 122.673 2.488 . . . . 0.0 109.354 -177.642 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 200' ' ' LEU . . . . . . . . . . . . . 40.9 tp -54.25 -50.51 67.04 Favored 'General case' 0 CA--C 1.49 -1.353 0 C-N-CA 123.677 0.791 . . . . 0.0 112.416 169.519 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 201' ' ' ALA . . . . . . . . . . . . . . . -66.6 -31.27 71.86 Favored 'General case' 0 CA--C 1.506 -0.724 0 C-N-CA 124.745 1.218 . . . . 0.0 112.302 -175.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 202' ' ' SER . . . . . . . . . . . . . 14.3 m -72.4 -38.15 68.5 Favored 'General case' 0 C--N 1.385 2.137 0 N-CA-C 118.021 2.6 . . . . 0.0 118.021 166.706 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 203' ' ' LEU . . . . . . . . . . . . . 96.5 mt -56.59 -47.97 78.43 Favored 'General case' 0 C--O 1.256 1.422 0 CA-C-N 120.532 1.514 . . . . 0.0 111.11 173.052 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 204' ' ' PHE . . . . . . . . . . . . . 17.1 m-85 -56.4 -54.71 42.38 Favored 'General case' 0 N--CA 1.498 1.952 0 CA-C-O 118.837 -0.601 . . . . 0.0 110.073 179.805 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 205' ' ' SER . . . . . . . . . . . . . 8.8 p -84.0 -19.19 34.94 Favored 'General case' 0 C--N 1.368 1.41 0 CA-C-O 115.931 -1.985 . . . . 0.0 114.804 -168.676 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 206' ' ' GLU . . . . . . . . . . . . . 59.0 mm-40 -107.16 -16.84 14.32 Favored 'General case' 0 C--N 1.363 1.176 0 N-CA-C 117.504 2.409 . . . . 0.0 117.504 170.006 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 207' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -127.11 -69.79 0.74 Allowed 'General case' 0 N--CA 1.527 3.412 0 CA-C-N 121.668 2.031 . . . . 0.0 114.973 177.693 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 208' ' ' ILE . . . . . . . . . . . . . 65.5 mt -56.1 -42.17 71.51 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.232 0 CA-C-O 125.95 2.786 . . . . 0.0 113.987 -163.488 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 209' ' ' TYR . . . . . 0.412 ' HB3' ' HD3' ' A' ' 210' ' ' PRO . 85.3 t80 -92.98 -44.98 0.32 Allowed Pre-proline 0 CA--C 1.564 1.506 0 N-CA-C 117.3 2.333 . . . . 0.0 117.3 -177.888 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 210' ' ' PRO . . . . . 0.412 ' HD3' ' HB3' ' A' ' 209' ' ' TYR . 35.9 Cg_exo -62.68 -33.34 77.43 Favored 'Trans proline' 0 N--CA 1.433 -2.051 0 O-C-N 124.505 1.792 . . . . 0.0 112.58 173.105 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 211' ' ' PHE . . . . . . . . . . . . . 45.0 m-85 -116.26 31.27 6.83 Favored 'General case' 0 CA--C 1.558 1.288 0 CA-C-N 121.56 1.982 . . . . 0.0 113.797 178.416 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 212' ' ' CYS . . . . . . . . . . . . . 13.0 p -44.54 -42.19 7.05 Favored 'General case' 0 CA--C 1.557 1.214 0 O-C-N 116.737 -3.727 . . . . 0.0 111.487 173.026 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 213' ' ' VAL . . . . . . . . . . . . 0.323 18.6 t -67.78 -50.7 57.73 Favored 'Isoleucine or valine' 0 C--O 1.275 2.442 0 CA-C-O 115.453 -2.213 . . . . 0.0 111.905 178.714 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 214' ' ' LYS . . . . . . . . . . . . . 73.2 tttt -46.84 -47.33 21.19 Favored 'General case' 0 C--O 1.271 2.196 0 C-N-CA 127.639 2.376 . . . . 0.0 109.452 176.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 215' ' ' TYR . . . . . . . . . . . . . 62.5 m-85 -77.91 -28.96 49.86 Favored 'General case' 0 N--CA 1.537 3.88 0 CA-C-N 120.424 1.465 . . . . 0.0 111.237 178.147 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 216' ' ' TYR . . . . . . . . . . . . . 83.3 t80 -65.29 -41.11 94.45 Favored 'General case' 0 CA--C 1.556 1.174 0 CA-C-N 121.649 2.022 . . . . 0.0 110.268 175.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 217' ' ' ALA . . . . . . . . . . . . . . . -70.61 -18.92 62.87 Favored 'General case' 0 N--CA 1.399 -2.979 0 C-N-CA 128.729 2.812 . . . . 0.0 112.206 -174.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 218' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -77.35 -31.16 54.24 Favored 'General case' 0 CA--C 1.596 2.74 0 C-N-CA 127.908 2.483 . . . . 0.0 110.619 174.809 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 219' ' ' ALA . . . . . . . . . . . . . . . -78.76 -25.5 44.48 Favored 'General case' 0 N--CA 1.53 3.531 0 N-CA-C 107.255 -1.387 . . . . 0.0 107.255 175.821 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 220' ' ' GLN . . . . . . . . . . . . . 25.3 mm-40 -76.82 113.36 14.41 Favored 'General case' 0 N--CA 1.494 1.74 0 CA-C-N 120.573 1.533 . . . . 0.0 111.649 -176.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 221' ' ' ARG . . . . . . . . . . . . . 55.6 mmt-85 -150.34 152.6 34.68 Favored 'General case' 0 CA--C 1.587 2.388 0 N-CA-C 115.29 1.589 . . . . 0.0 115.29 -175.153 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 222' ' ' ASP . . . . . . . . . . . . . 81.9 m-20 -95.63 -6.07 40.99 Favored 'General case' 0 N--CA 1.44 -0.964 0 O-C-N 127.773 3.17 . . . . 0.0 114.211 171.082 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 223' ' ' LEU . . . . . . . . . . . . . 81.9 mt -124.92 131.88 53.37 Favored 'General case' 0 N--CA 1.506 2.337 0 N-CA-C 108.035 -1.098 . . . . 0.0 108.035 -163.861 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 224' ' ' GLU . . . . . . . . . . . . . 21.0 pt-20 -65.77 12.24 0.06 Allowed 'General case' 0 N--CA 1.439 -1.018 0 C-N-CA 128.377 2.671 . . . . 0.0 116.999 178.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 225' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -145.44 17.76 1.51 Allowed 'General case' 0 CA--C 1.575 1.916 0 N-CA-C 117.091 2.256 . . . . 0.0 117.091 -174.394 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 226' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -146.3 22.16 1.35 Allowed 'General case' 0 C--O 1.185 -2.294 0 C-N-CA 126.18 1.792 . . . . 0.0 114.639 -179.768 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -104.92 85.13 2.24 Favored 'General case' 0 CA--C 1.57 1.741 0 C-N-CA 130.141 3.376 . . . . 0.0 109.945 -176.233 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 228' ' ' GLY . . . . . . . . . . . . . . . -121.28 135.24 10.51 Favored Glycine 0 C--N 1.363 2.032 0 C-N-CA 129.127 3.251 . . . . 0.0 117.503 -3.467 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 229' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -154.79 160.74 41.48 Favored 'General case' 0 CA--C 1.614 3.434 0 O-C-N 120.178 -1.778 . . . . 0.0 107.602 174.445 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 230' ' ' SER . . . . . . . . . . . . . 79.1 p -157.59 5.0 0.13 Allowed 'General case' 0 C--O 1.274 2.379 0 CA-C-O 116.193 -1.86 . . . . 0.0 113.298 -162.731 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 231' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.546 2.03 0 C-N-CA 119.099 -1.524 . . . . 0.0 109.948 178.345 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 . . . . . 0 C--O 1.248 0.996 0 CA-C-O 125.025 2.345 . . . . 0.0 113.141 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 4.7 mp0 -84.42 142.42 30.13 Favored 'General case' 0 CA--C 1.551 0.999 0 O-C-N 118.812 -2.43 . . . . 0.0 109.519 -177.572 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 11' ' ' HIS . . . . . . . . . . . . . 50.9 m170 -53.52 -42.21 67.16 Favored 'General case' 0 C--O 1.163 -3.449 0 C-N-CA 127.153 2.181 . . . . 0.0 109.877 -177.119 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -42.41 -45.41 4.35 Favored 'General case' 0 N--CA 1.426 -1.662 0 C-N-CA 131.223 3.809 . . . . 0.0 113.066 167.025 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -92.16 -28.53 17.01 Favored 'General case' 0 N--CA 1.477 0.923 0 O-C-N 118.68 -2.512 . . . . 0.0 115.102 175.602 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.74 -36.57 67.77 Favored 'General case' 0 C--N 1.283 -2.324 0 C-N-CA 127.47 2.308 . . . . 0.0 109.662 -176.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 29.5 m-85 -59.96 -40.7 89.91 Favored 'General case' 0 CA--C 1.575 1.936 0 O-C-N 119.198 -2.189 . . . . 0.0 113.094 174.219 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 45.9 tp -60.29 -42.4 95.4 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 125.163 1.539 . . . . 0.0 114.729 179.314 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 17' ' ' GLY . . . . . 0.416 ' HA3' ' CE1' ' A' ' 50' ' ' TYR . . . -68.36 -39.86 87.36 Favored Glycine 0 CA--C 1.562 3.02 0 CA-C-N 112.893 -1.958 . . . . 0.0 114.38 170.624 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 18' ' ' LEU . . . . . 0.434 ' HB3' HD23 ' C' ' 148' ' ' LEU . 15.0 tp -67.0 -43.3 83.29 Favored 'General case' 0 CA--C 1.547 0.853 0 CA-C-N 120.571 2.185 . . . . 0.0 110.928 -177.122 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -51.87 -37.13 50.99 Favored 'General case' 0 CA--C 1.596 2.722 0 O-C-N 126.063 2.102 . . . . 0.0 112.453 169.214 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 41.6 tttm -71.57 -26.2 62.52 Favored 'General case' 0 C--N 1.365 1.27 0 CA-C-O 116.872 -1.537 . . . . 0.0 110.208 -177.467 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 21' ' ' CYS . . . . . . . . . . . . . 57.8 m -69.7 -50.57 42.48 Favored 'General case' 0 C--N 1.315 -0.915 0 C-N-CA 130.649 3.58 . . . . 0.0 111.628 173.014 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -51.78 -43.5 63.05 Favored 'General case' 0 N--CA 1.43 -1.475 0 C-N-CA 126.782 2.033 . . . . 0.0 111.391 167.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -68.36 -34.95 77.0 Favored 'General case' 0 CA--C 1.603 2.983 0 O-C-N 118.688 -2.508 . . . . 0.0 112.31 169.255 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 43.4 tp10 -69.44 -26.52 64.63 Favored 'General case' 0 C--N 1.365 1.268 0 CA-C-N 122.987 2.63 . . . . 0.0 113.216 173.339 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 74.6 t -63.77 -43.78 98.05 Favored 'Isoleucine or valine' 0 C--O 1.237 0.428 0 O-C-N 119.9 -1.75 . . . . 0.0 109.331 178.145 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -75.5 -14.86 60.44 Favored 'General case' 0 CA--C 1.599 2.833 0 O-C-N 124.749 1.281 . . . . 0.0 113.422 179.292 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -86.47 -33.5 20.35 Favored 'General case' 0 N--CA 1.394 -3.238 0 O-C-N 120.491 -1.381 . . . . 0.0 109.393 173.719 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 28.6 mm -60.98 -41.24 88.34 Favored 'Isoleucine or valine' 0 N--CA 1.415 -2.182 0 O-C-N 119.906 -1.746 . . . . 0.0 113.266 165.837 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -48.77 -41.38 32.19 Favored 'General case' 0 CA--C 1.466 -2.275 0 C-N-CA 129.148 2.979 . . . . 0.0 115.685 171.021 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 42.4 ttt-85 -73.2 -36.98 66.6 Favored 'General case' 0 N--CA 1.504 2.257 0 N-CA-C 117.531 2.419 . . . . 0.0 117.531 165.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -67.38 -41.04 85.69 Favored 'General case' 0 N--CA 1.492 1.637 0 N-CA-C 114.296 1.221 . . . . 0.0 114.296 177.372 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 29.4 m -73.2 -22.88 19.61 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.941 0 CA-C-N 119.547 1.067 . . . . 0.0 113.227 -174.397 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 73.7 mm-40 -83.33 -37.86 22.83 Favored 'General case' 0 CA--C 1.58 2.098 0 C-N-CA 126.938 2.095 . . . . 0.0 114.547 168.176 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 2.0 tt -54.33 -37.99 65.49 Favored 'General case' 0 CA--C 1.578 2.044 0 O-C-N 117.747 -3.095 . . . . 0.0 110.828 164.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 35' ' ' TYR . . . . . . . . . . . . . 65.9 t80 -68.83 -32.64 72.48 Favored 'General case' 0 CA--C 1.551 0.998 0 O-C-N 120.693 -1.255 . . . . 0.0 113.018 175.839 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 36' ' ' ARG . . . . . . . . . . . . . 17.8 ttt180 -58.51 -48.7 79.97 Favored 'General case' 0 C--O 1.264 1.829 0 CA-C-O 116.049 -1.929 . . . . 0.0 113.219 164.139 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 12.3 mt -64.17 -31.89 73.26 Favored 'General case' 0 CA--C 1.578 2.045 0 O-C-N 127.55 3.031 . . . . 0.0 109.361 179.125 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 90.0 m-20 -79.69 -52.07 8.42 Favored 'General case' 0 N--CA 1.524 3.238 0 O-C-N 116.634 -3.791 . . . . 0.0 117.301 176.297 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 41.5 tptt -85.29 -39.77 17.33 Favored 'General case' 0 N--CA 1.499 1.985 0 C-N-CA 125.885 1.674 . . . . 0.0 112.042 -165.43 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 21.3 mmm -63.92 -36.71 84.83 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 117.517 -3.239 . . . . 0.0 115.201 170.038 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 54.1 tttm -37.27 -40.98 0.73 Allowed Pre-proline 0 C--O 1.198 -1.64 0 CA-C-O 112.785 -3.483 . . . . 0.0 112.434 -177.74 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 67.3 Cg_exo -78.0 -26.2 6.78 Favored 'Trans proline' 0 N--CA 1.437 -1.817 1 CA-C-N 129.824 4.544 . . . . 0.0 107.268 -172.413 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 35.6 m -86.85 -17.21 9.03 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.618 0 O-C-N 116.921 -3.612 . . . . 0.0 116.382 171.057 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 44' ' ' TYR . . . . . . . . . . . . . 22.0 m-30 -67.35 -49.83 62.41 Favored 'General case' 0 N--CA 1.434 -1.251 0 O-C-N 118.26 -2.775 . . . . 0.0 110.651 160.033 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 61.9 mt-10 -64.84 -47.09 79.21 Favored 'General case' 0 N--CA 1.49 1.539 0 CA-C-O 123.564 1.65 . . . . 0.0 114.092 -178.812 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 6.6 tttt -53.71 -51.38 63.46 Favored 'General case' 0 C--N 1.356 0.883 0 O-C-N 119.803 -1.81 . . . . 0.0 112.666 170.561 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 51.8 ttp180 -55.0 -48.43 73.35 Favored 'General case' 0 C--O 1.263 1.787 0 O-C-N 125.79 1.931 . . . . 0.0 115.278 174.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -59.53 -46.46 88.79 Favored 'General case' 0 N--CA 1.525 3.28 0 O-C-N 127.241 2.838 . . . . 0.0 111.606 173.516 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.37 -26.54 67.9 Favored 'General case' 0 N--CA 1.429 -1.49 0 C-N-CA 126.813 2.045 . . . . 0.0 113.561 179.635 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 50' ' ' TYR . . . . . . . . . . . . . 31.4 m-85 -82.07 -37.31 26.61 Favored 'General case' 0 CA--C 1.559 1.304 0 C-N-CA 124.263 1.025 . . . . 0.0 109.453 173.699 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 39.4 mt -77.47 -20.13 14.1 Favored 'Isoleucine or valine' 0 C--N 1.374 1.651 0 O-C-N 117.703 -3.123 . . . . 0.0 113.979 176.308 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 63.2 m-20 -76.86 -11.21 59.79 Favored 'General case' 0 C--N 1.374 1.637 0 O-C-N 118.59 -2.569 . . . . 0.0 115.15 159.502 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 21.9 tp10 -109.01 -26.83 9.98 Favored 'General case' 0 N--CA 1.414 -2.253 0 CA-C-N 119.807 1.185 . . . . 0.0 111.706 179.37 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 54' ' ' ILE . . . . . . . . . . . . . 93.0 mt -65.54 133.25 30.92 Favored 'Isoleucine or valine' 0 C--O 1.275 2.425 0 CA-C-O 124.906 2.288 . . . . 0.0 112.276 154.272 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -67.35 -55.8 12.35 Favored 'General case' 0 N--CA 1.429 -1.505 0 O-C-N 120.39 -1.444 . . . . 0.0 107.604 -171.84 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -148.39 143.53 26.88 Favored 'General case' 0 N--CA 1.501 2.11 0 CA-C-O 123.1 1.429 . . . . 0.0 110.465 177.855 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 57' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -147.6 -50.46 0.18 Allowed 'General case' 0 C--N 1.387 2.211 0 C-N-CA 125.535 1.534 . . . . 0.0 113.561 -163.421 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 58' ' ' TRP . . . . . . . . . . . . . 51.2 m95 -69.01 -32.49 72.06 Favored 'General case' 0 C--N 1.31 -1.123 0 O-C-N 126.666 2.479 . . . . 0.0 117.378 -177.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 59' ' ' LYS . . . . . 0.435 ' HE2' ' O ' ' B' ' 81' ' ' ASP . 14.8 ptpt -71.83 -1.14 13.09 Favored 'General case' 0 C--N 1.283 -2.293 0 O-C-N 126.309 2.256 . . . . 0.0 114.649 169.538 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 48.2 mt -108.22 -44.26 6.67 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.014 0 C-N-CA 130.807 3.643 . . . . 0.0 111.899 168.169 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 61' ' ' VAL . . . . . . . . . . . . 0.316 4.3 m -77.19 -44.99 30.65 Favored 'Isoleucine or valine' 0 C--N 1.396 2.606 1 O-C-N 113.179 -5.951 . . . . 0.0 114.225 -169.865 . . . . . . . . 3 2 . 1 . 001 nuclear build full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 22.6 mt -66.54 -42.06 87.76 Favored 'General case' 0 N--CA 1.424 -1.738 0 O-C-N 119.405 -2.059 . . . . 0.0 114.714 -160.48 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 69.7 p -62.13 -32.2 72.76 Favored 'General case' 0 N--CA 1.502 2.128 0 O-C-N 124.947 1.404 . . . . 0.0 111.165 -174.425 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 55.4 mt-30 -72.08 -11.61 60.83 Favored 'General case' 0 C--N 1.399 2.724 0 N-CA-C 117.844 2.535 . . . . 0.0 117.844 178.408 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 65' ' ' HIS . . . . . . . . . . . . 0.3 10.9 t-80 -70.31 126.21 28.99 Favored 'General case' 0 N--CA 1.498 1.966 0 CA-C-O 112.532 -3.604 . . . . 0.0 113.975 -172.286 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 5.4 p -51.07 -37.62 17.45 Favored 'Isoleucine or valine' 0 CA--C 1.603 2.999 0 CA-C-N 122.886 2.584 . . . . 0.0 111.757 177.052 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 74.6 m -78.22 -16.72 57.58 Favored 'General case' 0 CA--C 1.559 1.293 0 O-C-N 119.197 -2.19 . . . . 0.0 110.736 177.132 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 68' ' ' PHE . . . . . . . . . . . . . 7.4 t80 -71.68 -15.94 62.23 Favored 'General case' 0 C--O 1.179 -2.647 0 CA-C-N 123.966 3.076 . . . . 0.0 111.797 -178.673 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -49.12 -39.41 28.34 Favored 'General case' 0 N--CA 1.426 -1.651 0 C-N-CA 130.551 3.54 . . . . 0.0 115.128 161.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 51.5 m-20 -74.79 -24.24 58.63 Favored 'General case' 0 N--CA 1.482 1.172 0 N-CA-C 116.249 1.944 . . . . 0.0 116.249 177.731 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 71' ' ' TYR . . . . . . . . . . . . 0.259 6.7 m-85 -114.66 -54.7 2.55 Favored 'General case' 0 C--O 1.274 2.371 0 N-CA-C 120.477 3.51 . . . . 0.0 120.477 -162.776 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 72' ' ' ILE . . . . . . . . . . . . . 41.0 mm -103.88 132.15 50.96 Favored 'Isoleucine or valine' 1 N--CA 1.558 4.926 0 CA-C-O 115.371 -2.252 . . . . 0.0 115.998 -168.358 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 73' ' ' ARG . . . . . . . . . . . . 0.297 15.9 mtm180 -69.41 141.38 54.12 Favored 'General case' 0 N--CA 1.485 1.308 1 C-N-CA 135.183 5.393 . . . . 0.0 117.459 -170.559 . . . . . . . . 3 2 . 1 . 001 nuclear build full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -40.28 -42.1 1.46 Allowed 'General case' 0 CA--C 1.623 3.773 0 O-C-N 125.594 1.809 . . . . 0.0 111.381 168.183 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 65.6 m -81.59 -25.97 35.32 Favored 'General case' 0 N--CA 1.487 1.383 0 CA-C-O 124.869 2.271 . . . . 0.0 113.434 -168.321 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -82.77 -27.19 31.19 Favored 'General case' 0 C--O 1.186 -2.269 0 C-N-CA 126.514 1.926 . . . . 0.0 115.1 -173.06 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 77' ' ' PHE . . . . . . . . . . . . . 49.1 m-85 -52.54 -29.67 26.59 Favored 'General case' 0 N--CA 1.43 -1.441 0 N-CA-C 116.639 2.088 . . . . 0.0 116.639 175.182 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 78' ' ' LYS . . . . . . . . . . . . . 21.4 ttmt -60.53 -31.57 70.65 Favored 'General case' 0 N--CA 1.5 2.053 0 O-C-N 120.33 -1.481 . . . . 0.0 113.524 171.042 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 79' ' ' TYR . . . . . . . . . . . . . 51.3 m-85 -84.32 -43.37 14.85 Favored 'General case' 0 N--CA 1.493 1.712 0 CA-C-O 115.682 -2.104 . . . . 0.0 109.005 176.483 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 80' ' ' ILE . . . . . . . . . . . . 0.252 1.8 pt -76.93 -18.85 14.56 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.311 0 CA-C-N 123.661 2.937 . . . . 0.0 110.704 -177.267 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 81' ' ' ASP . . . . . 0.435 ' O ' ' HE2' ' B' ' 59' ' ' LYS 0.271 39.1 t70 -54.46 -32.44 57.68 Favored 'General case' 0 C--O 1.284 2.88 0 CA-C-N 122.476 2.398 . . . . 0.0 112.029 165.885 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . 0.251 6.5 p -74.62 -7.11 52.16 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 118.147 -2.846 . . . . 0.0 115.517 -177.901 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 81.9 mt -56.96 108.59 0.25 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.447 0 CA-C-O 126.004 2.812 . . . . 0.0 110.189 169.76 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 35.0 t0 -66.11 -52.6 47.12 Favored 'General case' 0 CA--C 1.552 1.022 0 O-C-N 119.547 -1.97 . . . . 0.0 114.751 159.103 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 42.8 mmtm -146.77 147.38 30.85 Favored 'General case' 0 N--CA 1.522 3.159 0 C-N-CA 127.045 2.138 . . . . 0.0 115.014 -164.057 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 86' ' ' ILE . . . . . . . . . . . . . 24.2 mt -145.5 126.41 7.58 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 C-N-CA 128.907 2.883 . . . . 0.0 108.369 178.295 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 11.0 mttm -133.65 139.25 46.36 Favored 'General case' 0 C--N 1.297 -1.706 0 O-C-N 120.045 -1.659 . . . . 0.0 114.151 -179.277 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 88' ' ' VAL . . . . . . . . . . . . . 2.5 p -107.96 144.95 15.75 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.752 0 N-CA-C 104.283 -2.488 . . . . 0.0 104.283 178.739 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 42.2 tp10 -158.66 132.79 7.83 Favored 'General case' 0 N--CA 1.48 1.036 1 CA-C-O 129.431 4.443 . . . . 0.0 107.571 -164.834 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 18.3 m-90 -100.63 159.96 14.74 Favored 'General case' 0 C--O 1.246 0.884 1 O-C-N 115.486 -4.508 . . . . 0.0 114.386 -178.516 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 1.3 mp -126.33 -25.8 3.44 Favored 'General case' 0 C--N 1.375 1.692 0 C-N-CA 125.468 1.507 . . . . 0.0 113.091 -166.836 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 92' ' ' ALA . . . . . . . . . . . . . . . -65.6 -29.82 70.46 Favored 'General case' 0 CA--C 1.57 1.713 0 N-CA-C 117.038 2.236 . . . . 0.0 117.038 -163.457 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 92.1 mt -79.71 -15.64 57.16 Favored 'General case' 0 N--CA 1.526 3.356 0 N-CA-C 115.618 1.71 . . . . 0.0 115.618 164.5 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -94.19 -14.42 25.62 Favored 'General case' 0 N--CA 1.488 1.469 1 O-C-N 116.219 -4.05 . . . . 0.0 115.349 171.019 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 95' ' ' SER . . . . . . . . . . . . 0.291 7.8 t -151.75 133.55 14.89 Favored 'General case' 0 N--CA 1.495 1.793 0 C-N-CA 126.317 1.847 . . . . 0.0 113.958 -170.146 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -68.44 -21.55 64.65 Favored 'General case' 0 C--N 1.4 2.767 0 O-C-N 118.108 -2.87 . . . . 0.0 113.611 173.229 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 97' ' ' MET . . . . . . . . . . . . . 16.8 tpp -70.94 -16.18 62.64 Favored 'General case' 0 N--CA 1.5 2.075 0 N-CA-C 118.844 2.905 . . . . 0.0 118.844 -170.797 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 98' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -125.57 139.56 53.49 Favored 'General case' 0 C--O 1.198 -1.634 0 C-N-CA 127.562 2.345 . . . . 0.0 111.763 -171.228 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 99' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -73.82 152.51 40.25 Favored 'General case' 0 C--O 1.266 1.955 0 C-N-CA 129.336 3.054 . . . . 0.0 109.929 175.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 100' ' ' THR . . . . . . . . . . . . . 58.3 p -66.18 -24.36 66.62 Favored 'General case' 0 N--CA 1.486 1.336 0 O-C-N 117.267 -3.395 . . . . 0.0 109.463 175.42 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 101' ' ' ARG . . . . . . . . . . . . . 89.7 mtm180 -80.88 -1.28 42.7 Favored 'General case' 0 C--O 1.18 -2.554 0 CA-C-O 113.35 -3.214 . . . . 0.0 116.069 169.767 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 66.2 m-20 -97.2 161.34 13.85 Favored 'General case' 0 C--O 1.289 3.139 0 O-C-N 126.722 2.514 . . . . 0.0 112.904 164.712 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 103' ' ' PHE . . . . . . . . . . . . . 22.8 p90 -156.27 161.67 40.2 Favored 'General case' 1 CA--C 1.63 4.052 0 O-C-N 119.452 -2.03 . . . . 0.0 112.56 -173.027 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 104' ' ' SER . . . . . . . . . . . . . 11.6 p -127.9 153.01 47.15 Favored 'General case' 0 C--O 1.255 1.355 0 O-C-N 121.3 -0.875 . . . . 0.0 112.484 168.439 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 105' ' ' ILE . . . . . . . . . . . . . 48.8 mt -125.38 143.04 40.32 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 170.523 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 56.2 m -114.9 132.45 56.53 Favored 'General case' 0 N--CA 1.53 3.57 1 C-N-CA 133.981 4.913 . . . . 0.0 105.407 -175.902 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 107' ' ' PHE . . . . . . . . . . . . . 27.7 m-85 -116.7 154.33 30.79 Favored 'General case' 0 C--O 1.181 -2.502 0 CA-C-O 115.293 -2.289 . . . . 0.0 111.365 166.241 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 108' ' ' HIS . . . . . . . . . . . . 0.252 85.9 t60 -136.22 111.18 8.85 Favored 'General case' 0 C--N 1.359 0.991 0 O-C-N 125.713 1.883 . . . . 0.0 113.772 167.078 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 109' ' ' PHE . . . . . . . . . . . . 0.259 1.3 m-85 -101.39 129.1 47.34 Favored 'General case' 0 CA--C 1.567 1.629 0 C-N-CA 128.144 2.578 . . . . 0.0 109.394 -174.556 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 110' ' ' HIS . . . . . . . . . . . . . 61.0 m170 -72.37 -18.36 61.75 Favored 'General case' 0 C--N 1.307 -1.24 0 O-C-N 116.809 -3.682 . . . . 0.0 117.428 165.67 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 111' ' ' GLY . . . . . . . . . . . . . . . 84.25 170.35 46.66 Favored Glycine 0 C--O 1.208 -1.521 0 O-C-N 117.315 -3.366 . . . . 0.0 116.898 169.468 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 112' ' ' ILE . . . . . . . . . . . . . 2.3 mt -110.78 124.11 67.28 Favored 'Isoleucine or valine' 0 CA--C 1.577 2.0 0 CA-C-O 125.262 2.458 . . . . 0.0 111.051 162.834 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 113' ' ' GLU . . . . . . . . . . . . 0.266 38.0 tt0 -61.31 116.07 4.34 Favored 'General case' 0 N--CA 1.409 -2.484 0 CA-C-N 112.948 -1.933 . . . . 0.0 112.597 -177.641 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 114' ' ' GLY . . . . . . . . . . . . . . . 78.49 23.43 65.13 Favored Glycine 1 N--CA 1.516 4.01 0 CA-C-O 115.419 -2.878 . . . . 0.0 111.316 -179.457 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 31.6 t0 -144.61 -56.63 0.35 Allowed 'General case' 0 C--N 1.307 -1.246 0 O-C-N 127.072 2.278 . . . . 0.0 112.585 -175.347 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 116' ' ' PHE . . . . . . . . . . . . . 19.7 t80 -144.29 114.91 7.67 Favored 'General case' 0 C--O 1.272 2.253 0 CA-C-O 116.166 -1.873 . . . . 0.0 108.674 -168.046 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 82.7 tttt -65.08 152.4 43.6 Favored 'General case' 0 CA--C 1.487 -1.457 0 CA-C-N 120.455 1.479 . . . . 0.0 114.599 -168.413 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 49.8 tt0 -69.07 117.75 11.12 Favored 'General case' 0 N--CA 1.491 1.609 0 CA-C-N 115.406 -0.815 . . . . 0.0 111.651 168.264 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 119' ' ' GLN . . . . . 0.541 HE22 ' HB2' ' B' ' 147' ' ' GLU . 11.4 pt20 -144.97 139.87 27.82 Favored 'General case' 0 C--O 1.212 -0.883 0 N-CA-C 120.95 3.685 . . . . 0.0 120.95 -173.181 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -98.33 133.47 42.69 Favored 'General case' 0 CA--C 1.559 1.317 1 O-C-N 114.76 -4.962 . . . . 0.0 108.48 161.349 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 20.6 t -142.94 142.45 26.1 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.787 0 C-N-CA 131.587 3.955 . . . . 0.0 108.09 -172.404 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 122' ' ' THR . . . . . . . . . . . . . 89.5 m -128.36 132.52 48.56 Favored 'General case' 0 C--N 1.365 1.266 0 C-N-CA 128.086 2.554 . . . . 0.0 110.414 171.214 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 123' ' ' LYS . . . . . . . . . . . . . 58.8 tttp -117.94 130.74 56.4 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 118.548 -2.595 . . . . 0.0 106.83 172.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 124' ' ' VAL . . . . . . . . . . . . . 2.4 p -96.77 151.64 4.08 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.96 0 N-CA-C 116.404 2.002 . . . . 0.0 116.404 166.403 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 125' ' ' PHE . . . . . . . . . . . . . 34.0 m-85 -135.52 140.3 44.64 Favored 'General case' 0 CA--C 1.479 -1.781 1 C-N-CA 132.738 4.415 . . . . 0.0 110.328 -169.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 126' ' ' GLN . . . . . . . . . . . . . 38.2 mt-30 -150.99 141.24 22.29 Favored 'General case' 0 N--CA 1.503 2.2 0 C-N-CA 127.566 2.346 . . . . 0.0 110.48 -176.452 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 127' ' ' ILE . . . . . . . . . . . . 0.355 6.6 tp -92.52 136.84 23.67 Favored 'Isoleucine or valine' 0 C--N 1.36 1.044 0 CA-C-N 112.705 -2.043 . . . . 0.0 114.746 -175.202 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -115.82 160.87 19.58 Favored 'General case' 0 C--N 1.378 1.812 0 O-C-N 124.527 1.142 . . . . 0.0 111.632 177.127 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 32.6 mtpt -156.15 169.36 24.68 Favored 'General case' 0 N--CA 1.506 2.326 0 O-C-N 119.552 -1.968 . . . . 0.0 107.429 -170.832 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 130' ' ' GLY . . . . . . . . . . . . . . . -65.69 118.8 12.17 Favored Glycine 0 CA--C 1.54 1.642 1 O-C-N 115.545 -4.472 . . . . 0.0 106.833 162.865 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 49.3 tptt -151.81 111.02 3.91 Favored 'General case' 0 C--O 1.211 -0.954 0 N-CA-C 105.344 -2.095 . . . . 0.0 105.344 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 47.58 -54.54 0.0 OUTLIER 'General case' 0 C--N 1.352 0.716 0 C-N-CA 130.639 3.576 . . . . 0.0 115.067 -150.574 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 133' ' ' ASP . . . . . . . . . . . . . 41.9 m-20 -87.08 116.05 24.88 Favored 'General case' 0 N--CA 1.532 3.629 0 O-C-N 127.173 2.796 . . . . 0.0 109.976 167.85 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 134' ' ' GLN . . . . . . . . . . . . 0.325 18.6 tp60 -82.57 42.91 0.79 Allowed 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 131.455 3.902 . . . . 0.0 110.026 -170.019 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 135' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -68.33 141.4 55.82 Favored 'General case' 0 C--O 1.267 1.987 0 CA-C-O 122.494 1.14 . . . . 0.0 109.008 169.67 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 136' ' ' ASP . . . . . . . . . . . . . 37.1 t0 -53.49 130.58 36.18 Favored 'General case' 0 C--N 1.313 -0.993 0 C-N-CA 126.623 1.969 . . . . 0.0 111.18 -172.348 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 137' ' ' GLY . . . . . . . . . . . . . . . -57.72 115.57 6.98 Favored Glycine 0 N--CA 1.484 1.896 0 CA-C-N 112.86 -1.973 . . . . 0.0 112.233 176.536 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 138' ' ' ILE . . . . . . . . . . . . . 43.3 pt -144.02 152.57 15.83 Favored 'Isoleucine or valine' 0 C--N 1.38 1.898 0 O-C-N 121.371 -1.076 . . . . 0.0 112.327 179.654 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 139' ' ' LEU . . . . . . . . . . . . . 14.5 tp -80.73 139.53 36.06 Favored 'General case' 0 CA--C 1.586 2.359 0 N-CA-C 117.672 2.471 . . . . 0.0 117.672 162.325 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 140' ' ' THR . . . . . . . . . . . . . 30.6 p -145.61 169.69 17.93 Favored 'General case' 0 C--O 1.262 1.724 0 CA-C-O 126.32 2.962 . . . . 0.0 111.51 -172.12 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 141' ' ' SER . . . . . . . . . . . . . 28.9 t -159.14 171.9 19.1 Favored 'General case' 0 C--N 1.307 -1.249 0 CA-C-O 126.873 3.225 . . . . 0.0 104.878 -165.284 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 142' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -111.09 147.23 36.15 Favored Pre-proline 0 CA--C 1.555 1.153 0 O-C-N 117.099 -3.501 . . . . 0.0 106.944 174.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 143' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_endo -64.79 140.71 68.62 Favored 'Trans proline' 0 N--CA 1.4 -3.995 0 C-N-CA 124.888 3.725 . . . . 0.0 112.423 172.271 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 144' ' ' VAL . . . . . . . . . . . . . 21.6 t -115.28 135.44 22.55 Favored Pre-proline 0 N--CA 1.496 1.855 0 CA-C-N 113.718 -1.583 . . . . 0.0 110.225 179.754 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 145' ' ' PRO . . . . . . . . . . . . . 27.0 Cg_endo -63.69 121.47 9.23 Favored 'Trans proline' 0 N--CA 1.506 2.22 0 C-N-CA 123.675 2.917 . . . . 0.0 115.118 165.161 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 146' ' ' ILE . . . . . . . . . . . . . 4.5 tt -132.98 142.62 41.75 Favored 'Isoleucine or valine' 0 C--N 1.364 1.221 0 C-N-CA 124.559 1.144 . . . . 0.0 111.492 -177.055 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 147' ' ' GLU . . . . . 0.541 ' HB2' HE22 ' B' ' 119' ' ' GLN 0.274 62.8 mm-40 -83.41 101.89 11.66 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 116.643 -2.023 . . . . 0.0 114.756 169.997 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 148' ' ' TRP . . . . . . . . . . . . . 5.4 m95 -60.54 157.23 38.02 Favored Pre-proline 0 N--CA 1.527 3.392 0 CA-C-O 114.513 -2.661 . . . . 0.0 116.722 178.069 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 149' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -62.64 142.95 91.57 Favored 'Trans proline' 0 C--N 1.388 2.641 0 C-N-CA 124.222 3.281 . . . . 0.0 107.45 175.075 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -63.12 -39.54 95.0 Favored 'General case' 0 N--CA 1.482 1.155 0 CA-C-O 122.711 1.243 . . . . 0.0 113.347 162.692 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 151' ' ' SER . . . . . . . . . . . . . 18.9 m -56.61 -15.18 3.96 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 118.505 -2.622 . . . . 0.0 116.683 169.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 152' ' ' TYR . . . . . . . . . . . . . 3.9 m-30 -104.65 6.74 34.59 Favored 'General case' 0 C--N 1.356 0.875 0 O-C-N 119.966 -1.709 . . . . 0.0 110.634 -172.394 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 153' ' ' ASP . . . . . . . . . . . . . 52.6 p-10 -58.8 -13.92 7.43 Favored 'General case' 1 N--CA 1.549 4.479 0 N-CA-C 117.04 2.237 . . . . 0.0 117.04 179.454 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 154' ' ' SER . . . . . . . . . . . . . 20.2 p -75.47 -15.32 60.43 Favored 'General case' 0 N--CA 1.523 3.201 0 C-N-CA 130.243 3.417 . . . . 0.0 114.493 168.051 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 155' ' ' ILE . . . . . . . . . . . . 0.266 3.2 pt -135.71 -12.24 0.82 Allowed 'Isoleucine or valine' 0 C--O 1.268 2.042 0 CA-C-O 117.405 -1.283 . . . . 0.0 112.963 -177.5 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 156' ' ' ASN . . . . . . . . . . . . . 49.3 t-20 -57.61 111.32 3.3 Favored Pre-proline 0 C--N 1.369 1.425 0 CA-C-O 115.704 -2.093 . . . . 0.0 108.404 168.521 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 157' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_exo -47.14 -38.74 25.48 Favored 'Trans proline' 0 N--CA 1.434 -1.982 0 N-CA-C 116.249 1.596 . . . . 0.0 116.249 -175.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -65.19 -16.81 63.92 Favored 'General case' 0 CA--C 1.558 1.261 0 C-N-CA 127.858 2.463 . . . . 0.0 114.985 -179.237 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 159' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -107.04 -6.09 17.67 Favored 'General case' 0 C--N 1.32 -0.676 0 C-N-CA 126.398 1.879 . . . . 0.0 115.178 173.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 160' ' ' ILE . . . . . . . . . . . . . 17.0 mm -54.59 121.19 2.79 Favored 'Isoleucine or valine' 0 C--O 1.253 1.259 0 O-C-N 119.661 -1.899 . . . . 0.0 111.825 167.025 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 161' ' ' LYS . . . . . . . . . . . . . 77.6 tttt -64.85 -42.7 94.68 Favored 'General case' 0 N--CA 1.479 1.011 0 CA-C-O 127.669 3.604 . . . . 0.0 115.362 179.471 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 162' ' ' ASP . . . . . . . . . . . . . 51.0 t0 -150.68 106.1 3.37 Favored 'General case' 0 N--CA 1.486 1.355 0 CA-C-N 110.401 -3.09 . . . . 0.0 113.519 -178.256 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 163' ' ' LYS . . . . . . . . . . . . . 34.2 mtmm -76.69 5.84 6.94 Favored 'General case' 0 CA--C 1.547 0.844 0 N-CA-C 117.676 2.473 . . . . 0.0 117.676 178.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 164' ' ' ARG . . . . . . . . . . . . . 12.6 mtm180 -80.53 -28.57 37.31 Favored 'General case' 0 C--O 1.194 -1.823 0 N-CA-C 117.308 2.336 . . . . 0.0 117.308 167.365 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 2.6 t -60.12 148.79 77.25 Favored Pre-proline 0 CA--C 1.62 3.658 0 N-CA-C 115.671 1.73 . . . . 0.0 115.671 -171.142 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 166' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_exo -62.04 -17.89 58.59 Favored 'Trans proline' 0 N--CA 1.514 2.684 0 C-N-CA 123.694 2.929 . . . . 0.0 113.181 170.188 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 167' ' ' GLU . . . . . . . . . . . . . 62.8 mm-40 -101.16 -41.34 6.77 Favored 'General case' 0 C--O 1.202 -1.415 0 C-N-CA 126.514 1.926 . . . . 0.0 112.844 170.369 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 168' ' ' GLY . . . . . . . . . . . . . . . -65.53 -40.68 96.25 Favored Glycine 0 N--CA 1.482 1.76 0 CA-C-O 124.447 2.137 . . . . 0.0 114.024 -179.423 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 169' ' ' LYS . . . . . . . . . . . . . 16.9 ttmt -81.82 -29.15 32.77 Favored 'General case' 0 CA--C 1.61 3.272 1 O-C-N 115.487 -4.537 . . . . 0.0 109.548 -179.744 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 41.9 tttp -66.86 -45.68 77.39 Favored 'General case' 0 N--CA 1.419 -1.977 0 CA-C-O 115.188 -2.339 . . . . 0.0 111.962 168.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 171' ' ' LYS . . . . . . . . . . . . . 75.0 mttt -57.61 -40.02 78.18 Favored 'General case' 0 N--CA 1.516 2.843 0 CA-C-N 122.208 2.276 . . . . 0.0 111.238 173.336 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 172' ' ' TYR . . . . . . . . . . . . . 25.9 t80 -60.77 -48.06 83.49 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 118.794 -2.441 . . . . 0.0 115.893 166.603 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 173' ' ' ARG . . . . . 0.433 ' HA ' ' HG2' ' B' ' 176' ' ' MET 0.286 57.0 mtt180 -60.9 -28.15 68.7 Favored 'General case' 0 C--N 1.362 1.117 0 O-C-N 127.402 2.939 . . . . 0.0 114.834 171.928 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 174' ' ' GLN . . . . . . . . . . . . . 85.1 mt-30 -72.44 -57.53 4.1 Favored 'General case' 0 C--N 1.363 1.181 0 O-C-N 118.813 -2.429 . . . . 0.0 109.836 171.633 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 175' ' ' GLY . . . . . . . . . . . . . . . -54.2 -41.88 71.32 Favored Glycine 0 C--O 1.252 1.232 0 C-N-CA 127.062 2.268 . . . . 0.0 112.68 -177.573 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 176' ' ' MET . . . . . 0.433 ' HG2' ' HA ' ' B' ' 173' ' ' ARG . 12.1 ptp -68.02 -23.76 65.03 Favored 'General case' 0 CA--C 1.593 2.622 0 N-CA-C 115.839 1.792 . . . . 0.0 115.839 178.021 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 177' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -77.99 -10.96 59.85 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 127.937 2.495 . . . . 0.0 114.37 174.721 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 178' ' ' THR . . . . . . . . . . . . . 68.9 p -65.33 165.9 10.94 Favored 'General case' 0 N--CA 1.504 2.232 0 O-C-N 119.599 -1.938 . . . . 0.0 109.724 177.384 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 179' ' ' ILE . . . . . . . . . . . . . 8.7 tp -59.2 -31.18 45.51 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.391 0 CA-C-N 112.584 -2.098 . . . . 0.0 111.726 165.181 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 180' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -72.57 -34.41 67.46 Favored 'General case' 0 C--O 1.266 1.969 0 CA-C-N 121.053 1.751 . . . . 0.0 114.136 176.434 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 181' ' ' GLY . . . . . . . . . . . . . . . -71.0 -29.43 69.04 Favored Glycine 1 CA--C 1.582 4.262 0 N-CA-C 110.159 -1.176 . . . . 0.0 110.159 171.576 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 182' ' ' TRP . . . . . 0.452 ' CD1' HD23 ' B' ' 200' ' ' LEU . 74.1 t90 -58.61 -42.22 87.68 Favored 'General case' 0 C--N 1.368 1.391 0 O-C-N 120.36 -1.671 . . . . 0.0 113.169 164.529 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 183' ' ' PHE . . . . . . . . . . . . . 84.9 m-85 -55.2 -48.65 73.53 Favored 'General case' 0 C--N 1.321 -0.637 0 O-C-N 116.706 -3.746 . . . . 0.0 117.319 167.358 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 184' ' ' ARG . . . . . . . . . . . . . 17.9 ttm180 -58.49 -3.39 0.28 Allowed 'General case' 0 C--N 1.402 2.855 0 N-CA-C 121.03 3.715 . . . . 0.0 121.03 155.201 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 185' ' ' TRP . . . . . 0.403 ' CZ2' ' HA2' ' B' ' 187' ' ' GLY . 73.9 t90 -68.08 148.6 50.74 Favored 'General case' 0 N--CA 1.407 -2.617 0 CA-C-N 123.686 2.948 . . . . 0.0 114.032 -179.595 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 186' ' ' THR . . . . . . . . . . . . . 61.2 p -133.53 -25.84 1.67 Allowed 'General case' 0 CA--C 1.565 1.541 0 C-N-CA 126.206 1.803 . . . . 0.0 115.33 -177.12 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 187' ' ' GLY . . . . . 0.403 ' HA2' ' CZ2' ' B' ' 185' ' ' TRP . . . 98.54 -6.24 60.85 Favored Glycine 0 CA--C 1.546 2.027 0 C-N-CA 128.354 2.883 . . . . 0.0 110.861 179.018 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 188' ' ' LEU . . . . . . . . . . . . . 43.7 mt -112.47 3.72 17.02 Favored 'General case' 0 N--CA 1.511 2.604 0 CA-C-O 113.39 -3.195 . . . . 0.0 112.684 -160.419 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 189' ' ' LYS . . . . . . . . . . . . . 36.5 mttt -119.86 77.82 22.71 Favored Pre-proline 0 C--O 1.206 -1.216 0 O-C-N 126.051 2.094 . . . . 0.0 110.967 -174.032 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 190' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -46.55 115.48 1.22 Allowed 'Trans proline' 0 C--N 1.385 2.466 0 C-N-CA 124.419 3.412 . . . . 0.0 115.196 -179.148 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 191' ' ' GLY . . . . . . . . . . . . . . . 71.5 -0.14 35.73 Favored Glycine 1 CA--C 1.583 4.31 0 CA-C-N 113.856 -1.52 . . . . 0.0 113.38 -179.177 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 192' ' ' LYS . . . . . . . . . . . . . 28.7 mmtp -113.48 16.93 18.71 Favored 'General case' 0 CA--C 1.564 1.483 0 O-C-N 117.471 -3.37 . . . . 0.0 116.758 -175.664 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 193' ' ' GLU . . . . . . . . . . . . . 21.5 pt-20 -158.61 176.53 12.27 Favored 'General case' 0 CA--C 1.489 -1.394 0 C-N-CA 128.562 2.745 . . . . 0.0 110.296 177.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 194' ' ' PHE . . . . . . . . . . . . . 36.3 t80 -49.75 118.25 8.29 Favored Pre-proline 0 C--O 1.198 -1.636 0 C-N-CA 126.937 2.095 . . . . 0.0 115.792 179.642 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 195' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo -73.96 138.07 25.21 Favored 'Trans proline' 0 C--O 1.252 1.191 0 CA-C-N 115.207 -0.676 . . . . 0.0 113.792 -172.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 196' ' ' HIS . . . . . . . . . . . . . 58.9 m-70 62.6 29.04 16.91 Favored 'General case' 0 CA--C 1.547 0.83 0 N-CA-C 115.404 1.631 . . . . 0.0 115.404 -177.343 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 197' ' ' GLY . . . . . . . . . . . . . . . -74.44 -26.74 67.15 Favored Glycine 0 C--N 1.383 3.165 0 CA-C-N 115.027 -0.988 . . . . 0.0 111.441 -168.415 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 198' ' ' ASP . . . . . . . . . . . . . 22.1 p-10 -59.13 -40.22 84.79 Favored 'General case' 0 CA--C 1.558 1.259 0 C-N-CA 124.586 1.155 . . . . 0.0 110.608 169.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 199' ' ' SER . . . . . . . . . . . . . 54.7 m -79.68 -19.96 47.73 Favored 'General case' 0 C--O 1.255 1.37 0 C-N-CA 118.707 -1.197 . . . . 0.0 109.14 -173.854 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 200' ' ' LEU . . . . . 0.452 HD23 ' CD1' ' B' ' 182' ' ' TRP 0.307 66.4 tp -69.56 -25.97 64.26 Favored 'General case' 0 N--CA 1.402 -2.855 0 O-C-N 119.064 -2.273 . . . . 0.0 114.5 161.646 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 201' ' ' ALA . . . . . . . . . . . . . . . -67.24 -45.16 77.57 Favored 'General case' 0 N--CA 1.415 -2.201 0 CA-C-N 121.01 1.732 . . . . 0.0 111.018 172.562 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 202' ' ' SER . . . . . . . . . . . . . 33.4 t -62.42 -34.05 76.0 Favored 'General case' 0 N--CA 1.513 2.69 0 N-CA-C 115.607 1.706 . . . . 0.0 115.607 171.735 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 203' ' ' LEU . . . . . 0.401 ' HA ' ' HB3' ' B' ' 207' ' ' GLU 0.27 6.0 tt -69.78 -54.1 15.24 Favored 'General case' 0 C--N 1.297 -1.703 0 O-C-N 120.266 -1.521 . . . . 0.0 107.214 -173.456 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 204' ' ' PHE . . . . . . . . . . . . . 75.8 m-85 -57.03 -28.76 62.8 Favored 'General case' 0 N--CA 1.523 3.219 0 N-CA-C 116.461 2.023 . . . . 0.0 116.461 178.098 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 205' ' ' SER . . . . . . . . . . . . . 25.5 p -98.71 -24.98 14.83 Favored 'General case' 0 N--CA 1.489 1.5 0 N-CA-C 114.675 1.361 . . . . 0.0 114.675 -169.522 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 206' ' ' GLU . . . . . . . . . . . . . 13.2 tp10 -149.77 -54.51 0.17 Allowed 'General case' 0 CA--C 1.457 -2.623 0 CA-C-O 116.435 -1.745 . . . . 0.0 109.289 -159.522 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 207' ' ' GLU . . . . . 0.401 ' HB3' ' HA ' ' B' ' 203' ' ' LEU . 45.1 tt0 -77.28 -15.46 59.43 Favored 'General case' 0 N--CA 1.494 1.769 0 CA-C-N 120.225 1.375 . . . . 0.0 114.622 -172.66 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 208' ' ' ILE . . . . . . . . . . . . 0.263 10.6 tp -70.48 -39.59 76.44 Favored 'Isoleucine or valine' 0 C--N 1.367 1.336 0 O-C-N 118.25 -2.781 . . . . 0.0 114.585 171.399 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 209' ' ' TYR . . . . . . . . . . . . . 41.8 m-85 -71.07 -38.2 6.8 Favored Pre-proline 1 CA--C 1.631 4.089 1 O-C-N 115.434 -4.542 . . . . 0.0 113.041 -164.939 . . . . . . . . 3 2 . 1 . 001 nuclear build full ' B' B ' 210' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_exo -52.36 -24.5 21.56 Favored 'Trans proline' 0 N--CA 1.408 -3.532 1 C-N-CA 126.332 4.688 . . . . 0.0 117.446 169.092 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 211' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -124.8 -16.16 6.25 Favored 'General case' 0 C--O 1.252 1.223 0 N-CA-C 119.135 3.013 . . . . 0.0 119.135 178.41 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 212' ' ' CYS . . . . . . . . . . . . . 30.7 p -58.1 -35.11 70.95 Favored 'General case' 0 C--N 1.381 1.965 0 CA-C-O 114.587 -2.625 . . . . 0.0 109.624 -166.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 213' ' ' VAL . . . . . . . . . . . . . 23.1 t -76.84 -38.51 29.4 Favored 'Isoleucine or valine' 0 CA--C 1.578 2.028 0 CA-C-O 116.094 -1.908 . . . . 0.0 108.643 -178.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 214' ' ' LYS . . . . . . . . . . . . . 80.1 mttt -46.94 -49.82 19.95 Favored 'General case' 0 N--CA 1.495 1.82 0 CA-C-N 122.837 2.562 . . . . 0.0 110.381 162.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 215' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 -66.69 -46.81 74.4 Favored 'General case' 0 C--O 1.244 0.766 0 O-C-N 127.294 2.871 . . . . 0.0 114.223 -177.493 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 216' ' ' TYR . . . . . . . . . . . . . 26.5 t80 -53.74 -51.45 63.3 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 119.961 -1.712 . . . . 0.0 113.815 169.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 217' ' ' ALA . . . . . . . . . . . . . . . -62.59 -27.44 69.19 Favored 'General case' 0 C--N 1.368 1.38 0 N-CA-C 114.716 1.376 . . . . 0.0 114.716 172.042 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 218' ' ' GLU . . . . . . . . . . . . . 29.6 tp10 -72.06 -42.33 66.37 Favored 'General case' 0 N--CA 1.489 1.48 0 CA-C-O 123.085 1.422 . . . . 0.0 110.592 -178.36 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 219' ' ' ALA . . . . . . . . . . . . 0.258 . . -67.28 -23.24 65.65 Favored 'General case' 0 N--CA 1.495 1.807 0 N-CA-C 116.222 1.934 . . . . 0.0 116.222 169.883 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 220' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.25 -17.36 60.34 Favored 'General case' 0 CA--C 1.6 2.878 0 N-CA-C 117.238 2.31 . . . . 0.0 117.238 163.59 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 221' ' ' ARG . . . . . . . . . . . . . 31.1 ttp85 -63.39 129.65 41.12 Favored 'General case' 0 C--N 1.32 -0.705 0 C-N-CA 125.293 1.437 . . . . 0.0 112.121 178.322 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 222' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -107.94 -19.87 13.37 Favored 'General case' 0 N--CA 1.529 3.506 0 O-C-N 120.553 -1.342 . . . . 0.0 110.431 176.665 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 223' ' ' LEU . . . . . . . . . . . . . 52.7 mt -61.44 164.25 5.9 Favored 'General case' 0 CA--C 1.561 1.397 0 O-C-N 119.787 -1.82 . . . . 0.0 108.753 174.655 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 224' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -128.85 141.29 51.34 Favored 'General case' 0 CA--C 1.594 2.66 0 C-N-CA 129.681 3.193 . . . . 0.0 114.276 -175.535 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 225' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 . . . . . 0 CA--C 1.565 1.549 0 CA-C-O 123.24 1.495 . . . . 0.0 113.106 -176.111 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.567 3.291 0 CA-C-O 116.996 -2.002 . . . . 0.0 112.002 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' -4' ' ' MET . . . . . . . . . . . . . 95.8 mtp 49.25 43.35 22.84 Favored 'General case' 0 N--CA 1.518 2.956 0 CA-C-O 126.693 3.139 . . . . 0.0 114.252 175.252 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' -3' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -66.06 135.29 95.12 Favored Pre-proline 0 CA--C 1.561 1.376 0 O-C-N 118.267 -2.77 . . . . 0.0 107.869 179.403 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' -2' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -71.2 -32.14 13.39 Favored 'Trans proline' 0 C--O 1.188 -2.023 1 C-N-CA 126.054 4.503 . . . . 0.0 114.037 -176.548 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' -1' ' ' ASN . . . . . . . . . . . . . 41.2 m-80 -83.99 -0.14 50.39 Favored 'General case' 0 N--CA 1.491 1.62 0 CA-C-N 121.054 1.752 . . . . 0.0 110.429 176.864 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 0' ' ' SER . . . . . . . . . . . . . 5.2 t -101.8 142.03 33.74 Favored 'General case' 0 N--CA 1.509 2.492 0 O-C-N 119.15 -2.219 . . . . 0.0 115.455 173.572 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . 0.286 92.4 mtp -62.71 115.85 4.68 Favored 'General case' 0 CA--C 1.556 1.21 0 N-CA-C 116.983 2.216 . . . . 0.0 116.983 176.075 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 2' ' ' SER . . . . . . . . . . . . . 79.8 p -69.69 160.02 32.4 Favored 'General case' 0 C--O 1.282 2.781 0 O-C-N 120.16 -1.587 . . . . 0.0 107.744 163.652 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 3' ' ' LEU . . . . . . . . . . . . . 13.7 tp -65.22 -19.59 66.04 Favored 'General case' 0 N--CA 1.412 -2.365 0 N-CA-C 118.118 2.636 . . . . 0.0 118.118 167.327 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 4' ' ' ASN . . . . . . . . . . . . . 41.0 m-20 -70.93 -43.49 68.11 Favored 'General case' 0 N--CA 1.438 -1.072 0 CA-C-O 117.443 -1.265 . . . . 0.0 110.647 169.809 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 5' ' ' ASP . . . . . . . . . . . . . 38.4 m-20 -63.39 -32.27 73.66 Favored 'General case' 0 CA--C 1.505 -0.753 0 CA-C-N 123.451 2.841 . . . . 0.0 113.729 175.433 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 6' ' ' PHE . . . . . . . . . . . . . 72.4 m-85 -62.8 -64.92 0.77 Allowed 'General case' 0 C--O 1.281 2.76 1 O-C-N 113.73 -5.606 . . . . 0.0 111.103 163.06 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 54.2 tp -64.64 -35.68 81.81 Favored 'General case' 0 N--CA 1.514 2.731 0 C-N-CA 125.275 1.43 . . . . 0.0 111.464 -162.859 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 8' ' ' SER . . . . . 0.601 ' HB3' HD12 ' C' ' 398' ' ' LEU . 87.9 p -70.58 -16.37 62.85 Favored 'General case' 0 C--N 1.313 -1.006 0 O-C-N 120.562 -1.336 . . . . 0.0 110.859 179.19 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 9' ' ' SER . . . . . . . . . . . . . 53.6 m -80.47 -13.31 59.22 Favored 'General case' 0 C--O 1.305 3.985 0 CA-C-O 115.128 -2.367 . . . . 0.0 113.019 -175.264 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 3.8 m -108.26 -13.19 10.47 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.268 0 CA-C-N 122.583 2.447 . . . . 0.0 114.395 172.057 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 43.5 mt -71.4 152.3 94.11 Favored Pre-proline 0 N--CA 1.491 1.617 0 CA-C-O 113.752 -3.023 . . . . 0.0 111.586 177.543 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 12' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_exo -59.0 143.63 99.72 Favored 'Trans proline' 0 C--O 1.286 2.919 1 C-N-CA 127.153 5.236 . . . . 0.0 111.137 179.654 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 13' ' ' VAL . . . . . . . . . . . . . 4.5 p -75.57 137.14 23.46 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.344 0 CA-C-O 123.766 1.746 . . . . 0.0 108.66 -164.221 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 14' ' ' SER . . . . . . . . . . . . . 6.4 p 57.91 -15.47 0.02 OUTLIER 'General case' 0 CA--C 1.602 2.978 0 C-N-CA 131.531 3.933 . . . . 0.0 113.818 -171.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 28.7 tp10 -60.08 125.93 25.56 Favored 'General case' 0 N--CA 1.501 2.091 1 O-C-N 115.771 -4.33 . . . . 0.0 111.886 164.665 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 -96.67 141.82 29.45 Favored 'General case' 0 CA--C 1.583 2.241 0 O-C-N 118.825 -2.422 . . . . 0.0 117.259 173.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 17' ' ' PHE . . . . . . . . . . . . . 49.3 m-85 -134.85 160.59 37.76 Favored 'General case' 0 N--CA 1.508 2.44 0 C-N-CA 127.832 2.453 . . . . 0.0 108.021 -172.393 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 18' ' ' GLU . . . . . . . . . . . . . 17.5 mp0 -117.15 154.35 31.23 Favored 'General case' 0 CA--C 1.573 1.863 0 CA-C-O 116.344 -1.789 . . . . 0.0 111.397 166.597 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 19' ' ' TYR . . . . . . . . . . . . . 51.6 p90 -150.59 155.98 40.49 Favored 'General case' 0 C--N 1.391 2.376 0 O-C-N 125.505 1.753 . . . . 0.0 115.023 171.834 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 20' ' ' LEU . . . . . . . . . . . . . 37.6 tp -94.91 132.26 39.93 Favored 'General case' 0 C--N 1.307 -1.24 1 C-N-CA 135.085 5.354 . . . . 0.0 112.534 162.066 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 21' ' ' SER . . . . . . . . . . . . . 17.1 t -137.74 128.77 27.4 Favored 'General case' 1 N--CA 1.542 4.142 0 C-N-CA 127.825 2.45 . . . . 0.0 107.285 169.727 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 22' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -149.08 157.17 43.18 Favored 'General case' 0 N--CA 1.427 -1.575 0 CA-C-O 123.28 1.514 . . . . 0.0 111.97 171.636 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 23' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -147.52 128.48 14.49 Favored 'General case' 0 CA--C 1.605 3.093 0 CA-C-N 112.564 -2.107 . . . . 0.0 111.558 -172.781 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 24' ' ' SER . . . . . . . . . . . . . 13.4 t -73.53 153.66 40.19 Favored 'General case' 0 CA--C 1.477 -1.864 0 O-C-N 116.341 -3.974 . . . . 0.0 115.16 169.541 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 25' ' ' ILE . . . . . . . . . . . . 0.293 86.9 mt -61.23 143.3 92.76 Favored Pre-proline 0 C--O 1.174 -2.887 0 CA-C-N 110.686 -2.961 . . . . 0.0 113.536 -177.279 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 26' ' ' PRO . . . . . . . . . . . . . 11.3 Cg_endo -69.11 129.79 18.94 Favored 'Trans proline' 0 N--CA 1.517 2.889 0 C-N-CA 124.502 3.468 . . . . 0.0 108.072 -171.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 27' ' ' LEU . . . . . . . . . . . . . 5.4 tp -132.35 141.23 48.84 Favored 'General case' 0 C--O 1.272 2.244 0 C-N-CA 131.274 3.829 . . . . 0.0 112.571 -159.554 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 28' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -60.31 124.98 21.96 Favored 'General case' 0 CA--C 1.476 -1.902 0 C-N-CA 129.15 2.98 . . . . 0.0 118.762 174.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 29' ' ' THR . . . . . . . . . . . . . 6.1 t -136.73 163.99 29.31 Favored 'General case' 0 C--N 1.385 2.132 0 CA-C-N 119.582 1.083 . . . . 0.0 113.822 176.546 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 30' ' ' HIS . . . . . . . . . . . . . 18.1 p-80 -77.87 168.24 20.24 Favored 'General case' 0 CA--C 1.591 2.524 0 CA-C-N 114.893 -1.049 . . . . 0.0 108.275 166.22 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 31' ' ' ALA . . . . . . . . . . . . . . . -51.89 135.55 30.0 Favored 'General case' 0 N--CA 1.499 2.006 0 N-CA-C 116.932 2.197 . . . . 0.0 116.932 176.141 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 32' ' ' VAL . . . . . . . . . . . . . 5.0 p -68.42 -21.45 26.34 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.114 0 C-N-CA 125.233 1.413 . . . . 0.0 113.198 179.429 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 33' ' ' VAL . . . . . . . . . . . . . 9.2 p -131.67 149.19 32.67 Favored 'Isoleucine or valine' 0 CA--C 1.591 2.541 0 O-C-N 118.928 -2.357 . . . . 0.0 110.744 165.489 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 34' ' ' THR . . . . . . . . . . . . . 31.5 m -73.74 121.14 84.45 Favored Pre-proline 0 N--CA 1.521 3.088 0 C-N-CA 118.382 -1.327 . . . . 0.0 111.73 176.658 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 35' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_endo -62.02 150.4 86.59 Favored 'Trans proline' 0 N--CA 1.509 2.414 0 C-N-CA 125.227 3.951 . . . . 0.0 110.41 176.064 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 36' ' ' ASN . . . . . . . . . . . . . 38.0 t-20 -84.09 138.91 32.8 Favored 'General case' 0 C--O 1.195 -1.797 0 O-C-N 118.09 -2.881 . . . . 0.0 107.392 173.531 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 37' ' ' LYS . . . . . . . . . . . . . 36.8 mttp -54.01 -32.72 55.12 Favored 'General case' 0 C--O 1.247 0.962 0 O-C-N 120.357 -1.464 . . . . 0.0 111.48 175.437 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 38' ' ' ASP . . . . . . . . . . . . . 47.3 m-20 -64.31 -9.95 20.95 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 115.977 1.843 . . . . 0.0 115.977 -179.595 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 62.2 t0 -92.39 137.04 32.7 Favored 'General case' 0 N--CA 1.486 1.371 0 N-CA-C 116.494 2.035 . . . . 0.0 116.494 -162.623 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 40' ' ' LYS . . . . . . . . . . . . . 25.6 tptp -55.25 -41.14 71.77 Favored 'General case' 0 CA--C 1.598 2.816 0 O-C-N 118.12 -2.863 . . . . 0.0 112.555 170.205 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 41' ' ' ARG . . . . . . . . . . . . . 79.6 mtm180 -70.39 158.36 36.12 Favored 'General case' 0 N--CA 1.502 2.164 0 CA-C-N 122.354 2.343 . . . . 0.0 112.841 -175.259 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 96.7 t -128.54 130.77 23.51 Favored Pre-proline 0 C--N 1.385 2.109 0 CA-C-O 114.142 -2.837 . . . . 0.0 111.21 157.797 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 43' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_endo -68.38 80.03 0.59 Allowed 'Trans proline' 0 CA--C 1.542 0.91 0 C-N-CA 123.684 2.923 . . . . 0.0 105.254 173.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 44' ' ' LYS . . . . . . . . . . . . . 73.4 tttt -70.06 -28.49 65.48 Favored 'General case' 0 N--CA 1.508 2.442 0 C-N-CA 128.278 2.631 . . . . 0.0 109.812 -165.457 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 45' ' ' SER . . . . . . . . . . . . . 8.7 t -149.66 131.34 14.97 Favored 'General case' 0 CA--C 1.479 -1.788 0 O-C-N 125.036 1.46 . . . . 0.0 114.355 163.634 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 46' ' ' THR . . . . . . . . . . . . . 10.9 m -116.44 138.8 51.08 Favored 'General case' 0 N--CA 1.501 2.104 0 C-N-CA 116.049 -2.261 . . . . 0.0 110.546 170.669 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 5.2 mp -123.98 139.2 51.13 Favored 'Isoleucine or valine' 0 N--CA 1.539 3.995 0 CA-C-O 115.114 -2.374 . . . . 0.0 108.362 -178.157 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 48' ' ' LYS . . . . . . . . . . . . . 17.5 pttt -130.56 164.66 24.41 Favored 'General case' 0 C--N 1.41 3.199 0 CA-C-N 123.788 2.995 . . . . 0.0 112.866 173.804 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 49' ' ' THR . . . . . . . . . . . . . 15.3 t -158.97 174.26 15.23 Favored 'General case' 0 CA--C 1.577 2.004 0 O-C-N 119.211 -2.18 . . . . 0.0 113.178 152.533 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -116.13 144.52 44.05 Favored 'General case' 0 CA--C 1.562 1.423 0 C-N-CA 128.068 2.547 . . . . 0.0 117.729 170.425 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 51' ' ' HIS . . . . . . . . . . . . . 5.9 t60 -126.54 138.95 53.54 Favored 'General case' 0 N--CA 1.508 2.459 0 CA-C-O 124.201 1.953 . . . . 0.0 108.736 -179.224 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 52' ' ' PHE . . . . . . . . . . . . . 40.0 t80 -125.44 146.98 49.38 Favored 'General case' 0 CA--C 1.487 -1.48 0 CA-C-N 110.892 -2.867 . . . . 0.0 104.822 -167.094 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 53' ' ' PHE . . . . . . . . . . . . . 91.3 t80 -147.67 137.88 22.99 Favored 'General case' 0 CA--C 1.569 1.708 0 CA-C-N 120.981 1.719 . . . . 0.0 111.71 -175.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 54' ' ' SER . . . . . . . . . . . . . 58.8 m -141.19 131.97 25.79 Favored 'General case' 0 C--N 1.384 2.097 0 CA-C-N 121.43 1.923 . . . . 0.0 115.575 165.127 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 49.0 tp -107.5 128.95 54.96 Favored 'General case' 0 N--CA 1.507 2.401 0 N-CA-C 108.358 -0.979 . . . . 0.0 108.358 -174.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 56' ' ' PHE . . . . . . . . . . . . . 26.5 m-85 -113.92 133.15 55.64 Favored 'General case' 0 N--CA 1.416 -2.141 0 C-N-CA 131.141 3.777 . . . . 0.0 111.115 -171.782 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 57' ' ' HIS . . . . . . . . . . . . . 11.5 t-160 -135.22 134.01 39.61 Favored 'General case' 0 N--CA 1.435 -1.188 0 O-C-N 119.984 -1.697 . . . . 0.0 111.084 172.132 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 58' ' ' GLN . . . . . . . . . . . . 0.335 13.5 mt-30 60.14 41.34 17.11 Favored 'General case' 0 C--N 1.278 -2.501 0 O-C-N 118.048 -2.907 . . . . 0.0 114.642 174.772 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 59' ' ' GLY . . . . . . . . . . . . . . . 85.93 12.27 71.73 Favored Glycine 0 CA--C 1.551 2.324 0 O-C-N 119.337 -2.102 . . . . 0.0 114.665 175.825 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 60' ' ' LYS . . . . . 0.488 ' HE3' ' SG ' ' C' ' 94' ' ' CYS . 42.5 mtmt -156.86 155.02 30.77 Favored 'General case' 0 C--N 1.363 1.186 0 C-N-CA 130.264 3.426 . . . . 0.0 111.925 -161.44 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 61' ' ' VAL . . . . . . . . . . . . . 8.2 p -93.44 140.17 16.89 Favored 'Isoleucine or valine' 0 C--O 1.257 1.498 0 CA-C-O 117.288 -1.339 . . . . 0.0 110.842 -178.523 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 62' ' ' PHE . . . . . . . . . . . . 0.25 0.1 OUTLIER -125.59 -9.96 6.8 Favored 'General case' 0 C--N 1.314 -0.966 0 N-CA-C 121.178 3.769 . . . . 0.0 121.178 175.367 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' C' C ' 63' ' ' PHE . . . . . . . . . . . . . 26.9 t80 -144.13 155.35 43.9 Favored 'General case' 0 N--CA 1.488 1.441 0 CA-C-O 117.466 -1.254 . . . . 0.0 112.786 166.386 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 64' ' ' SER . . . . . . . . . . . . . 10.1 p -139.87 147.09 40.15 Favored 'General case' 0 CA--C 1.58 2.134 0 C-N-CA 128.322 2.649 . . . . 0.0 106.533 163.7 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 65' ' ' LEU . . . . . . . . . . . . . 10.7 tp -143.51 150.44 38.94 Favored 'General case' 0 CA--C 1.548 0.892 0 CA-C-N 113.527 -1.67 . . . . 0.0 111.693 172.83 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 66' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -144.7 128.79 17.6 Favored 'General case' 0 C--N 1.414 3.382 0 C-N-CA 131.091 3.756 . . . . 0.0 107.277 -169.533 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 67' ' ' VAL . . . . . . . . . . . . . 87.8 t -156.51 137.73 5.21 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.856 0 C-N-CA 129.344 3.057 . . . . 0.0 112.623 -167.606 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 68' ' ' TYR . . . . . . . . . . . . . 80.1 m-85 -105.87 149.84 26.17 Favored 'General case' 0 N--CA 1.398 -3.035 0 O-C-N 128.008 3.318 . . . . 0.0 104.493 178.637 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 69' ' ' VAL . . . . . . . . . . . . . 99.7 t -130.84 143.48 40.74 Favored 'Isoleucine or valine' 0 C--N 1.346 0.443 0 O-C-N 116.532 -3.855 . . . . 0.0 113.181 170.265 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 70' ' ' TYR . . . . . . . . . . . . . 55.4 m-85 -133.35 145.05 50.02 Favored 'General case' 0 C--O 1.245 0.868 0 N-CA-C 106.662 -1.607 . . . . 0.0 106.662 -171.334 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 71' ' ' VAL . . . . . . . . . . . . . 27.4 t -122.85 129.47 75.12 Favored 'Isoleucine or valine' 0 CA--C 1.569 1.674 0 O-C-N 126.335 2.272 . . . . 0.0 112.256 161.479 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 72' ' ' THR . . . . . . . . . . . . . 90.7 m -108.44 114.7 28.75 Favored 'General case' 0 N--CA 1.442 -0.838 0 C-N-CA 126.322 1.849 . . . . 0.0 110.533 174.009 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 73' ' ' LEU . . . . . . . . . . . . . 37.7 mt -92.91 121.59 34.43 Favored 'General case' 0 N--CA 1.436 -1.159 0 CA-C-O 124.602 2.144 . . . . 0.0 109.779 168.857 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 74' ' ' TRP . . . . . . . . . . . . . 74.9 m95 -83.48 154.66 23.79 Favored 'General case' 0 N--CA 1.495 1.814 0 CA-C-N 112.574 -2.103 . . . . 0.0 115.245 170.468 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 54.5 p-10 -63.22 -24.98 68.12 Favored 'General case' 0 C--O 1.293 3.388 0 O-C-N 127.03 2.706 . . . . 0.0 111.912 177.09 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -148.67 -26.59 0.31 Allowed 'General case' 0 N--CA 1.517 2.887 0 O-C-N 119.032 -2.293 . . . . 0.0 112.226 -179.29 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 77' ' ' ALA . . . . . . . . . . . . . . . -82.35 26.36 0.55 Allowed 'General case' 0 N--CA 1.493 1.718 0 O-C-N 120.268 -1.52 . . . . 0.0 113.351 -177.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 78' ' ' ASP . . . . . . . . . . . . 0.312 37.9 m-20 59.1 -103.07 0.16 Allowed 'General case' 0 C--N 1.291 -1.962 0 CA-C-O 115.077 -2.392 . . . . 0.0 115.677 -178.398 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 79' ' ' ALA . . . . . . . . . . . . . . . -164.42 158.01 18.0 Favored 'General case' 0 C--N 1.307 -1.259 0 O-C-N 126.799 2.562 . . . . 0.0 116.99 -162.259 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 80' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -155.43 137.69 14.8 Favored 'General case' 0 N--CA 1.443 -0.818 0 C-N-CA 127.401 2.28 . . . . 0.0 112.426 178.577 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 81' ' ' ARG . . . . . . . . . . . . . 21.3 ptt180 -104.79 149.65 25.46 Favored 'General case' 0 C--N 1.378 1.824 0 O-C-N 126.328 2.267 . . . . 0.0 110.805 175.105 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 82' ' ' LEU . . . . . . . . . . . . . 2.0 tp -135.75 136.35 40.7 Favored 'General case' 0 CA--C 1.476 -1.887 0 O-C-N 124.382 1.052 . . . . 0.0 109.707 179.004 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 83' ' ' ILE . . . . . . . . . . . . . 48.0 mt -103.14 133.94 45.61 Favored 'Isoleucine or valine' 0 CA--C 1.573 1.863 0 N-CA-C 107.26 -1.385 . . . . 0.0 107.26 168.225 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 84' ' ' PHE . . . . . . . . . . . . . 34.2 t80 -118.63 130.2 55.73 Favored 'General case' 0 N--CA 1.432 -1.345 0 CA-C-N 123.43 2.832 . . . . 0.0 111.167 162.827 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 85' ' ' VAL . . . . . . . . . . . . . 30.2 t -96.7 125.86 49.55 Favored 'Isoleucine or valine' 0 CA--C 1.566 1.59 0 O-C-N 126.128 2.143 . . . . 0.0 112.455 177.739 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 86' ' ' SER . . . . . . . . . . . . . 39.6 t -86.17 -53.56 4.98 Favored 'General case' 0 N--CA 1.504 2.267 0 O-C-N 127.401 2.938 . . . . 0.0 114.146 179.287 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 87' ' ' LYS . . . . . . . . . . . . . 10.4 mttm -158.77 159.09 34.79 Favored 'General case' 0 N--CA 1.5 2.054 0 CA-C-O 117.673 -1.156 . . . . 0.0 109.686 -165.438 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 88' ' ' ALA . . . . . . . . . . . . . . . -155.98 154.32 30.91 Favored 'General case' 0 C--N 1.38 1.929 0 CA-C-O 123.619 1.676 . . . . 0.0 111.793 162.023 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 89' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -154.98 149.98 26.86 Favored 'General case' 0 C--O 1.204 -1.318 0 O-C-N 117.449 -3.282 . . . . 0.0 116.264 -175.666 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 90' ' ' THR . . . . . . . . . . . . . 25.3 p -125.4 171.1 10.72 Favored 'General case' 0 CA--C 1.568 1.672 0 C-N-CA 131.299 3.84 . . . . 0.0 111.838 177.749 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 91' ' ' ASN . . . . . . . . . . . . . 24.8 p30 -144.74 -23.85 0.51 Allowed 'General case' 0 C--O 1.276 2.459 0 C-N-CA 116.307 -2.157 . . . . 0.0 113.236 -176.42 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 92' ' ' GLY . . . . . . . . . . . . . . . 91.24 16.07 54.3 Favored Glycine 0 CA--C 1.485 -1.833 0 CA-C-O 116.727 -2.152 . . . . 0.0 113.657 174.111 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 93' ' ' TYR . . . . . . . . . . . . . 71.8 m-85 -107.08 -1.11 22.39 Favored 'General case' 0 N--CA 1.496 1.871 1 CA-C-N 125.805 4.802 . . . . 0.0 113.585 -172.859 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 94' ' ' CYS . . . . . 0.488 ' SG ' ' HE3' ' C' ' 60' ' ' LYS . 0.7 OUTLIER -138.56 160.12 40.37 Favored 'General case' 0 CA--C 1.618 3.569 0 N-CA-C 106.422 -1.696 . . . . 0.0 106.422 150.72 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' C' C ' 95' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -143.26 149.09 37.41 Favored 'General case' 0 C--N 1.305 -1.334 0 C-N-CA 129.314 3.046 . . . . 0.0 110.67 -171.353 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 96' ' ' THR . . . . . . . . . . . . . 9.4 t -168.04 161.38 12.65 Favored 'General case' 0 N--CA 1.488 1.437 0 CA-C-O 123.427 1.584 . . . . 0.0 110.996 178.731 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 47.0 mmm-85 -71.73 44.97 0.11 Allowed 'General case' 0 N--CA 1.532 3.631 0 CA-C-O 127.047 3.308 . . . . 0.0 111.942 -172.616 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 98' ' ' VAL . . . . . . . . . . . . . 2.6 p -149.92 132.98 7.02 Favored 'Isoleucine or valine' 0 C--N 1.405 3.005 0 O-C-N 117.214 -3.429 . . . . 0.0 109.213 174.514 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 99' ' ' SER . . . . . . . . . . . . . 42.9 t -81.9 139.92 34.38 Favored 'General case' 0 CA--C 1.483 -1.597 0 O-C-N 120.421 -1.424 . . . . 0.0 111.789 171.328 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 100' ' ' VAL . . . . . . . . . . . . . 14.1 m -54.06 -21.86 6.53 Favored 'Isoleucine or valine' 0 N--CA 1.515 2.819 0 O-C-N 127.077 2.736 . . . . 0.0 114.35 171.126 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 101' ' ' ARG . . . . . . . . . . . . . 59.6 ttp180 -46.5 -45.83 18.68 Favored 'General case' 0 C--N 1.376 1.725 0 CA-C-N 120.95 1.704 . . . . 0.0 114.367 162.367 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 102' ' ' ASP . . . . . . . . . . . . . 44.6 m-20 -85.95 -26.35 25.56 Favored 'General case' 0 N--CA 1.416 -2.163 0 CA-C-O 114.281 -2.771 . . . . 0.0 113.525 -171.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 103' ' ' ILE . . . . . . . . . . . . . 24.2 mm -53.28 -39.92 37.05 Favored 'Isoleucine or valine' 0 N--CA 1.411 -2.383 0 O-C-N 126.313 2.258 . . . . 0.0 116.639 153.166 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 104' ' ' THR . . . . . . . . . . . . . 32.7 m -71.93 -51.48 21.88 Favored 'General case' 0 CA--C 1.48 -1.728 0 O-C-N 118.741 -2.474 . . . . 0.0 112.194 -179.747 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 105' ' ' LYS . . . . . . . . . . . . . 12.8 tmtt? -51.72 -46.83 64.1 Favored 'General case' 0 CA--C 1.559 1.308 0 O-C-N 125.928 2.017 . . . . 0.0 116.166 167.007 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 106' ' ' ILE . . . . . . . . . . . . . 10.0 tp -75.66 -37.67 36.71 Favored 'Isoleucine or valine' 0 CA--C 1.592 2.582 0 O-C-N 118.421 -2.675 . . . . 0.0 110.205 -168.769 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 107' ' ' ILE . . . . . . . . . . . . . 19.9 mm -61.72 -40.02 85.33 Favored 'Isoleucine or valine' 0 C--N 1.363 1.157 0 C-N-CA 126.444 1.898 . . . . 0.0 108.238 169.67 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 108' ' ' LEU . . . . . . . . . . . . . 57.0 mt -63.07 -26.17 68.71 Favored 'General case' 0 N--CA 1.504 2.225 0 CA-C-O 114.993 -2.432 . . . . 0.0 113.36 174.312 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 109' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -77.34 -38.35 50.49 Favored 'General case' 0 CA--C 1.577 1.982 0 O-C-N 125.597 1.811 . . . . 0.0 110.568 179.516 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 110' ' ' PHE . . . . . . . . . . . . . 85.5 t80 -58.79 -47.69 83.85 Favored 'General case' 0 C--N 1.353 0.737 0 O-C-N 126.315 2.259 . . . . 0.0 112.92 171.406 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 111' ' ' ILE . . . . . . . . . . . . . 40.8 mm -61.42 -46.69 96.07 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.284 0 O-C-N 118.198 -2.814 . . . . 0.0 114.066 167.059 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 112' ' ' LEU . . . . . . . . . . . . . 20.0 tp -58.64 -35.36 72.39 Favored 'General case' 0 C--O 1.204 -1.328 0 N-CA-C 115.853 1.798 . . . . 0.0 115.853 174.199 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 113' ' ' SER . . . . . . . . . . . . . 48.6 m -73.6 -11.18 60.34 Favored 'General case' 0 CA--C 1.563 1.464 0 N-CA-C 119.853 3.279 . . . . 0.0 119.853 171.238 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 114' ' ' ILE . . . . . . . . . . . . . 15.3 mt -60.87 130.09 24.39 Favored 'Isoleucine or valine' 0 N--CA 1.522 3.156 0 O-C-N 127.147 2.78 . . . . 0.0 110.654 171.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 115' ' ' ASP . . . . . . . . . . . . . 36.8 t0 -71.01 127.4 91.7 Favored Pre-proline 0 N--CA 1.425 -1.69 0 CA-C-O 114.763 -2.541 . . . . 0.0 105.283 172.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 116' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -61.93 -21.29 72.0 Favored 'Trans proline' 0 C--N 1.408 3.693 0 CA-C-N 121.42 1.543 . . . . 0.0 111.055 -174.148 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 117' ' ' ASN . . . . . . . . . . . . . 12.9 m-80 -62.2 -18.44 61.06 Favored 'General case' 0 N--CA 1.483 1.198 0 N-CA-C 115.555 1.687 . . . . 0.0 115.555 174.015 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 118' ' ' TYR . . . . . . . . . . . . . 77.0 t80 -63.13 -14.84 53.42 Favored 'General case' 0 N--CA 1.525 3.325 0 N-CA-C 115.968 1.84 . . . . 0.0 115.968 167.062 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 119' ' ' TYR . . . . . . . . . . . . . 56.2 m-85 -108.64 -1.05 19.84 Favored 'General case' 0 N--CA 1.532 3.655 0 CA-C-O 113.636 -3.078 . . . . 0.0 110.742 177.091 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 120' ' ' LEU . . . . . . . . . . . . . 60.4 mt -118.78 -25.66 6.29 Favored 'General case' 0 C--N 1.275 -2.639 0 CA-C-O 114.152 -2.833 . . . . 0.0 111.991 -169.37 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 121' ' ' GLN . . . . . . . . . . . . . 21.4 pt20 -66.98 -30.72 70.91 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 123.153 2.706 . . . . 0.0 111.33 -168.453 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 122' ' ' LYS . . . . . 0.461 ' HE2' ' CE1' ' C' ' 176' ' ' TYR . 74.1 tttt -152.03 130.92 12.5 Favored 'General case' 0 N--CA 1.538 3.939 0 C-N-CA 127.66 2.384 . . . . 0.0 111.064 171.809 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 123' ' ' VAL . . . . . . . . . . . . . 76.2 t -140.58 140.42 33.92 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.807 0 O-C-N 120.135 -1.603 . . . . 0.0 107.765 -161.33 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 124' ' ' LYS . . . . . . . . . . . . . 65.6 tttp -78.19 115.52 51.54 Favored Pre-proline 0 C--N 1.307 -1.265 0 C-N-CA 123.904 0.881 . . . . 0.0 111.514 -174.043 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 125' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo -72.71 158.36 50.61 Favored 'Trans proline' 0 C--N 1.402 3.347 0 CA-C-O 122.939 1.141 . . . . 0.0 113.283 -174.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 126' ' ' ALA . . . . . . . . . . . . . . . -59.46 -41.61 90.1 Favored 'General case' 0 CA--C 1.576 1.944 0 O-C-N 120.024 -1.672 . . . . 0.0 114.794 176.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 127' ' ' ILE . . . . . . . . . . . . . 9.2 tp -137.49 159.04 35.12 Favored 'Isoleucine or valine' 0 CA--C 1.564 1.496 1 C-N-CA 132.532 4.333 . . . . 0.0 107.402 179.278 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 128' ' ' ARG . . . . . . . . . . . . . 64.9 mtt180 -143.73 155.88 44.34 Favored 'General case' 0 CA--C 1.475 -1.919 0 O-C-N 125.538 1.774 . . . . 0.0 113.634 -175.118 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 129' ' ' SER . . . . . . . . . . . . . 6.1 t -115.56 128.68 56.14 Favored 'General case' 0 N--CA 1.477 0.907 0 CA-C-N 115.316 -0.857 . . . . 0.0 113.261 177.55 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 130' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 -121.21 -7.98 9.29 Favored 'General case' 0 N--CA 1.508 2.451 0 CA-C-O 117.13 -1.414 . . . . 0.0 110.203 -160.742 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 131' ' ' LYS . . . . . . . . . . . . . 45.1 pttt -133.85 3.56 3.5 Favored 'General case' 0 N--CA 1.512 2.673 0 C-N-CA 129.002 2.921 . . . . 0.0 112.824 -173.741 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 132' ' ' LYS . . . . . . . . . . . . . 7.7 ptmt -65.66 -28.5 69.14 Favored 'General case' 0 C--N 1.305 -1.33 0 N-CA-C 115.854 1.798 . . . . 0.0 115.854 -173.832 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 133' ' ' ILE . . . . . . . . . . . . . 4.0 pt -147.79 165.34 5.74 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.267 0 C-N-CA 127.503 2.321 . . . . 0.0 112.304 175.37 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 134' ' ' SER . . . . . . . . . . . . . 10.8 t -122.06 129.08 25.27 Favored Pre-proline 0 C--O 1.209 -1.039 0 CA-C-N 121.002 1.728 . . . . 0.0 112.44 -149.2 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 135' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_exo -71.29 147.91 88.72 Favored 'Cis proline' 0 N--CA 1.517 2.879 0 N-CA-C 118.524 2.471 . . . . 0.0 118.524 7.262 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 136' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -75.83 152.06 37.34 Favored 'General case' 0 C--O 1.292 3.335 0 O-C-N 125.306 1.628 . . . . 0.0 111.883 172.735 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 137' ' ' LEU . . . . . . . . . . . . . 6.1 mp -99.39 129.89 45.62 Favored 'General case' 0 N--CA 1.429 -1.489 0 C-N-CA 129.515 3.126 . . . . 0.0 112.277 -168.799 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 138' ' ' ILE . . . . . . . . . . . . . 89.5 mt -71.47 111.87 5.94 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.791 0 CA-C-O 126.444 3.021 . . . . 0.0 116.906 166.407 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 139' ' ' SER . . . . . . . . . . . . . 10.2 p -147.38 177.82 8.92 Favored 'General case' 0 N--CA 1.513 2.702 0 O-C-N 117.57 -3.206 . . . . 0.0 112.252 -175.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 140' ' ' ALA . . . . . . . . . . . . . . . -66.35 9.69 0.15 Allowed 'General case' 0 C--O 1.268 2.034 0 N-CA-C 118.193 2.664 . . . . 0.0 118.193 161.338 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 141' ' ' ALA . . . . . . . . . . . . . . . -95.27 -15.83 22.9 Favored 'General case' 0 C--O 1.26 1.623 0 O-C-N 120.969 -1.082 . . . . 0.0 112.683 160.222 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 142' ' ' SER . . . . . . . . . . . . . 24.8 m -87.68 139.4 30.57 Favored 'General case' 0 C--O 1.256 1.396 0 O-C-N 118.869 -2.394 . . . . 0.0 105.663 167.395 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 143' ' ' THR . . . . . 0.461 ' HB ' ' HD2' ' C' ' 144' ' ' PRO . 43.4 p -62.59 169.87 2.85 Favored Pre-proline 0 CA--C 1.575 1.912 0 CA-C-N 119.303 0.956 . . . . 0.0 112.476 170.009 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 144' ' ' PRO . . . . . 0.461 ' HD2' ' HB ' ' C' ' 143' ' ' THR . 1.6 Cg_endo -64.45 -34.23 54.62 Favored 'Trans proline' 0 CA--C 1.541 0.826 0 CA-C-O 116.33 -1.613 . . . . 0.0 111.53 171.752 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 145' ' ' ALA . . . . . . . . . . . . . . . -59.8 -56.85 16.62 Favored 'General case' 0 C--O 1.203 -1.361 0 CA-C-N 119.866 1.212 . . . . 0.0 111.542 171.56 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 146' ' ' ARG . . . . . . . . . . . . . 27.7 ttt-85 -68.01 -28.3 67.29 Favored 'General case' 0 CA--C 1.497 -1.061 0 CA-C-O 112.821 -3.466 . . . . 0.0 118.692 177.506 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 147' ' ' THR . . . . . . . . . . . . . 63.8 m -52.59 -53.14 50.75 Favored 'General case' 0 C--O 1.255 1.377 0 O-C-N 128.136 3.397 . . . . 0.0 114.186 160.189 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 148' ' ' LEU . . . . . 0.434 HD23 ' HB3' ' B' ' 18' ' ' LEU . 9.2 mp -77.06 -27.01 54.18 Favored 'General case' 0 CA--C 1.606 3.129 0 C-N-CA 126.856 2.062 . . . . 0.0 111.446 -177.009 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 149' ' ' ARG . . . . . . . . . . . . . 37.0 mtt180 -68.88 -37.89 79.33 Favored 'General case' 0 CA--C 1.572 1.815 0 C-N-CA 124.889 1.276 . . . . 0.0 113.173 169.023 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 150' ' ' ILE . . . . . . . . . . . . . 21.1 mt -75.43 -42.18 42.72 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.338 0 O-C-N 124.159 0.912 . . . . 0.0 109.47 176.138 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 151' ' ' LEU . . . . . . . . . . . . . 66.8 mt -49.35 -53.43 22.34 Favored 'General case' 0 N--CA 1.509 2.494 0 O-C-N 116.788 -3.695 . . . . 0.0 113.351 167.068 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 152' ' ' ALA . . . . . . . . . . . . . . . -64.98 -23.38 67.2 Favored 'General case' 0 C--O 1.194 -1.843 0 O-C-N 119.524 -1.985 . . . . 0.0 113.443 176.101 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 153' ' ' ARG . . . . . . . . . . . . . 16.0 ttm180 -77.4 -47.21 20.41 Favored 'General case' 0 CA--C 1.575 1.942 0 CA-C-O 114.1 -2.857 . . . . 0.0 113.135 168.462 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 154' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -60.98 -38.42 85.92 Favored 'General case' 0 CA--C 1.481 -1.697 0 CA-C-N 121.187 1.812 . . . . 0.0 114.197 177.827 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 155' ' ' LEU . . . . . . . . . . . . . 25.9 mt -72.18 -38.44 69.11 Favored 'General case' 0 CA--C 1.584 2.28 0 O-C-N 116.945 -3.597 . . . . 0.0 109.88 177.788 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 156' ' ' LYS . . . . . . . . . . . . . 32.7 ttpt -77.4 -47.39 19.94 Favored 'General case' 0 CA--C 1.536 0.415 1 O-C-N 116.294 -4.004 . . . . 0.0 113.032 -176.429 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 157' ' ' GLN . . . . . . . . . . . . . 29.5 mm100 -80.56 -47.91 13.5 Favored 'General case' 0 C--O 1.206 -1.226 0 O-C-N 118.405 -2.684 . . . . 0.0 108.676 177.8 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 158' ' ' SER . . . . . . . . . . . . . 1.3 m -110.09 -8.45 14.8 Favored 'General case' 0 C--O 1.243 0.722 0 CA-C-N 122.782 2.537 . . . . 0.0 113.652 -160.314 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 159' ' ' GLY . . . . . . . . . . . . . . . 87.05 -6.87 82.5 Favored Glycine 0 C--O 1.259 1.671 1 C-N-CA 132.93 5.062 . . . . 0.0 117.697 170.115 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 160' ' ' SER . . . . . . . . . . . . . 41.0 t -149.33 149.65 31.23 Favored 'General case' 0 C--N 1.402 2.865 0 O-C-N 127.437 2.492 . . . . 0.0 107.387 -174.093 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 161' ' ' THR . . . . . . . . . . . . . 63.4 p -68.6 -31.62 70.94 Favored 'General case' 0 CA--C 1.559 1.292 0 CA-C-N 120.862 1.665 . . . . 0.0 113.665 164.303 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 162' ' ' VAL . . . . . . . . . . . . . 16.2 t -65.05 132.17 30.86 Favored 'Isoleucine or valine' 0 CA--C 1.564 1.506 0 O-C-N 128.714 3.759 . . . . 0.0 112.876 179.35 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 163' ' ' LEU . . . . . . . . . . . . . 16.6 mt -120.89 131.86 54.63 Favored 'General case' 0 N--CA 1.455 -0.197 0 O-C-N 119.168 -2.208 . . . . 0.0 113.446 166.114 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 164' ' ' LYS . . . . . . . . . . . . . 34.1 tptt -82.0 -31.65 30.97 Favored 'General case' 0 N--CA 1.423 -1.8 0 C-N-CA 127.804 2.442 . . . . 0.0 111.329 173.072 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 165' ' ' GLU . . . . . . . . . . . . . 29.3 tp10 -61.2 -45.54 94.14 Favored 'General case' 0 CA--C 1.585 2.302 0 CA-C-O 125.313 2.483 . . . . 0.0 115.226 -170.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 166' ' ' ILE . . . . . . . . . . . . . 1.9 pp -63.88 0.92 0.49 Allowed 'Isoleucine or valine' 0 C--O 1.281 2.719 0 CA-C-O 125.413 2.53 . . . . 0.0 116.572 -177.759 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 167' ' ' GLU . . . . . . . . . . . . . 82.4 mt-10 -86.7 -18.79 30.34 Favored 'General case' 0 C--O 1.294 3.424 0 O-C-N 118.567 -2.583 . . . . 0.0 110.864 171.575 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 168' ' ' SER . . . . . . . . . . . . . 97.2 p -66.73 160.77 66.25 Favored Pre-proline 0 N--CA 1.488 1.463 0 N-CA-C 116.368 1.988 . . . . 0.0 116.368 -176.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 169' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_exo -68.29 -34.84 20.33 Favored 'Trans proline' 0 CA--C 1.565 2.052 0 C-N-CA 122.984 2.456 . . . . 0.0 115.753 -158.418 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 170' ' ' ARG . . . . . . . . . . . . . 20.1 ptt85 -69.19 -12.46 61.69 Favored 'General case' 0 N--CA 1.494 1.729 0 CA-C-O 115.937 -1.982 . . . . 0.0 110.547 178.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 171' ' ' PHE . . . . . . . . . . . . . 53.7 m-85 -80.73 -50.02 10.42 Favored 'General case' 0 N--CA 1.512 2.651 0 CA-C-O 124.188 1.947 . . . . 0.0 112.664 163.404 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 172' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -72.23 -25.1 61.5 Favored 'General case' 0 N--CA 1.534 3.769 0 O-C-N 119.07 -2.269 . . . . 0.0 113.4 -171.369 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 173' ' ' GLN . . . . . . . . . . . . . 41.5 tt0 -49.85 -27.61 5.37 Favored 'General case' 0 C--O 1.281 2.748 0 CA-C-O 115.294 -2.288 . . . . 0.0 110.745 172.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 174' ' ' ASP . . . . . . . . . . . . . 68.5 m-20 -114.88 -42.68 3.2 Favored 'General case' 0 N--CA 1.425 -1.691 0 C-N-CA 128.168 2.587 . . . . 0.0 112.21 -174.768 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 175' ' ' LEU . . . . . . . . . . . . . 68.6 mt -71.71 -19.67 62.03 Favored 'General case' 0 N--CA 1.53 3.552 0 C-N-CA 126.844 2.058 . . . . 0.0 110.229 -171.348 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 176' ' ' TYR . . . . . 0.461 ' CE1' ' HE2' ' C' ' 122' ' ' LYS . 75.4 m-85 -139.97 142.06 36.38 Favored 'General case' 0 C--O 1.252 1.193 0 C-N-CA 125.847 1.659 . . . . 0.0 112.371 -176.527 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 177' ' ' LEU . . . . . . . . . . . . . 18.2 mt -91.05 155.37 18.72 Favored 'General case' 0 N--CA 1.529 3.517 0 N-CA-C 106.753 -1.573 . . . . 0.0 106.753 162.667 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 178' ' ' SER . . . . . . . . . . . . . 47.1 t -156.08 132.71 10.3 Favored 'General case' 0 N--CA 1.422 -1.836 0 CA-C-O 123.853 1.787 . . . . 0.0 109.072 175.132 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 179' ' ' PHE . . . . . . . . . . . . . 68.7 m-85 -137.76 161.77 35.68 Favored 'General case' 0 CA--C 1.563 1.46 0 CA-C-N 111.508 -2.587 . . . . 0.0 110.734 -171.415 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 180' ' ' THR . . . . . . . . . . . . . 11.6 m -141.32 136.73 31.82 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 119.19 -2.193 . . . . 0.0 113.523 175.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 181' ' ' CYS . . . . . . . . . . . . . 12.6 p -144.0 172.41 5.57 Favored Pre-proline 0 N--CA 1.507 2.388 0 CA-C-N 121.757 2.071 . . . . 0.0 111.461 173.062 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 182' ' ' PRO . . . . . . . . . . . . . 27.4 Cg_exo -57.61 148.31 74.24 Favored 'Trans proline' 0 C--O 1.201 -1.355 0 C-N-CA 123.257 2.638 . . . . 0.0 111.65 170.441 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 183' ' ' ARG . . . . . . . . . . . . 0.267 4.4 ptp180 -83.61 -16.16 46.31 Favored 'General case' 0 CA--C 1.572 1.822 0 O-C-N 118.701 -2.499 . . . . 0.0 114.799 169.536 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 184' ' ' GLU . . . . . . . . . . . . . 14.9 tp10 -96.12 106.75 18.98 Favored 'General case' 0 C--N 1.281 -2.39 0 O-C-N 125.772 1.92 . . . . 0.0 108.557 168.086 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 185' ' ' ILE . . . . . . . . . . . . 0.395 26.0 pt -141.53 157.55 21.47 Favored 'Isoleucine or valine' 0 C--O 1.2 -1.52 0 C-N-CA 127.04 2.136 . . . . 0.0 113.39 -174.607 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 186' ' ' LEU . . . . . . . . . . . . . 56.5 tp -56.16 130.98 46.47 Favored 'General case' 0 CA--C 1.589 2.469 0 C-N-CA 126.03 1.732 . . . . 0.0 112.615 168.378 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 187' ' ' THR . . . . . . . . . . . . . 17.1 m -105.87 140.84 38.28 Favored 'General case' 0 C--O 1.251 1.162 0 C-N-CA 126.559 1.944 . . . . 0.0 113.049 176.486 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 188' ' ' LYS . . . . . . . . . . . . . 89.3 mttt -122.17 146.82 46.88 Favored 'General case' 0 CA--C 1.487 -1.472 0 CA-C-N 121.359 1.891 . . . . 0.0 109.843 160.78 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 189' ' ' ILE . . . . . . . . . . . . . 81.2 mt -122.06 143.03 36.07 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.953 0 O-C-N 120.124 -1.61 . . . . 0.0 110.201 165.588 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 190' ' ' CYS . . . . . . . . . . . . . 48.2 t -138.21 141.93 39.98 Favored 'General case' 0 CA--C 1.491 -1.3 0 C-N-CA 128.276 2.63 . . . . 0.0 111.013 -173.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 191' ' ' LEU . . . . . . . . . . . . . 2.8 mp -150.08 151.0 32.51 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 127.629 2.372 . . . . 0.0 111.39 177.26 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 192' ' ' PHE . . . . . 0.49 ' CD1' ' HE3' ' C' ' 290' ' ' LYS 0.255 5.7 t80 -132.68 94.02 3.33 Favored 'General case' 0 C--O 1.21 -0.98 0 N-CA-C 116.676 2.102 . . . . 0.0 116.676 173.825 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' C' C ' 193' ' ' THR . . . . . . . . . . . . . 51.6 p -79.13 112.01 15.93 Favored 'General case' 0 C--O 1.277 2.509 0 O-C-N 116.676 -3.765 . . . . 0.0 108.876 -153.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 194' ' ' ARG . . . . . . . . . . . . . 29.3 ptt85 -149.93 157.17 38.13 Favored Pre-proline 0 CA--C 1.589 2.458 0 CA-C-O 115.617 -2.135 . . . . 0.0 111.819 -173.871 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 195' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_exo -50.96 -40.13 58.71 Favored 'Trans proline' 0 C--O 1.172 -2.798 1 C-N-CA 127.564 5.51 . . . . 0.0 113.204 -177.129 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 196' ' ' ALA . . . . . . . . . . . . . . . -78.46 -15.99 58.03 Favored 'General case' 0 N--CA 1.486 1.332 0 CA-C-N 112.667 -2.06 . . . . 0.0 109.831 -173.05 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 197' ' ' SER . . . . . . . . . . . . . 5.6 t -73.88 -26.77 60.73 Favored 'General case' 0 C--N 1.36 1.034 0 CA-C-N 122.617 2.462 . . . . 0.0 108.277 171.452 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 198' ' ' GLN . . . . . . . . . . . . . 21.6 mm100 -84.73 44.16 1.04 Allowed 'General case' 0 N--CA 1.514 2.741 1 O-C-N 115.38 -4.575 . . . . 0.0 112.187 179.761 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 199' ' ' TYR . . . . . . . . . . . . . 43.2 t80 -149.68 115.95 5.76 Favored 'General case' 0 CA--C 1.571 1.766 0 C-N-CA 126.341 1.857 . . . . 0.0 114.206 -176.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 200' ' ' LEU . . . . . . . . . . . . . 17.6 mt -146.32 -22.38 0.44 Allowed 'General case' 0 C--N 1.382 1.994 0 CA-C-O 113.412 -3.185 . . . . 0.0 109.264 171.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 201' ' ' PHE . . . . . . . . . . . . . 21.3 m-85 -107.19 91.65 6.95 Favored Pre-proline 0 C--O 1.278 2.58 1 C-N-CA 131.768 4.027 . . . . 0.0 108.871 174.461 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 202' ' ' PRO . . . . . . . . . . . . . 30.6 Cg_exo -45.53 145.13 4.39 Favored 'Trans proline' 0 C--O 1.253 1.239 0 O-C-N 116.488 -2.427 . . . . 0.0 115.002 171.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 203' ' ' ASP . . . . . . . . . . . . . 80.1 m-20 56.59 -5.53 0.03 OUTLIER 'General case' 0 CA--C 1.581 2.166 0 C-N-CA 127.977 2.511 . . . . 0.0 115.471 179.531 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 204' ' ' SER . . . . . . . . . . . . . 47.1 p -54.75 -27.89 44.42 Favored 'General case' 0 N--CA 1.5 2.04 0 C-N-CA 130.265 3.426 . . . . 0.0 114.555 -177.113 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 205' ' ' SER . . . . . 0.424 ' HB3' HD11 ' C' ' 212' ' ' ILE . 75.3 m -72.02 -10.61 60.01 Favored 'General case' 0 C--N 1.31 -1.137 0 N-CA-C 114.025 1.12 . . . . 0.0 114.025 179.657 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 206' ' ' LYS . . . . . . . . . . . . . 37.0 mtpt -62.11 -27.22 68.78 Favored 'General case' 0 N--CA 1.51 2.527 0 N-CA-C 114.85 1.426 . . . . 0.0 114.85 168.424 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 207' ' ' ASN . . . . . . . . . . . . . 52.0 t-20 -77.8 111.1 13.27 Favored 'General case' 0 C--N 1.353 0.746 0 CA-C-O 116.837 -1.554 . . . . 0.0 113.526 -178.406 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 208' ' ' SER . . . . . . . . . . . . 0.259 2.8 t -47.73 -29.0 2.74 Favored 'General case' 0 C--O 1.266 1.962 0 N-CA-C 118.675 2.843 . . . . 0.0 118.675 172.176 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 209' ' ' LYS . . . . . . . . . . . . . 87.0 mttt -69.2 -10.19 56.54 Favored 'General case' 0 N--CA 1.516 2.863 0 CA-C-O 112.153 -3.784 . . . . 0.0 112.176 169.205 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 210' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -81.87 133.9 35.36 Favored 'General case' 0 C--O 1.278 2.583 0 CA-C-N 123.054 2.661 . . . . 0.0 110.984 -179.049 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 211' ' ' HIS . . . . . . . . . . . . . 8.0 t-160 -78.61 115.05 18.05 Favored 'General case' 0 C--O 1.251 1.147 0 CA-C-O 114.561 -2.638 . . . . 0.0 108.428 165.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 212' ' ' ILE . . . . . 0.424 HD11 ' HB3' ' C' ' 205' ' ' SER . 37.6 mt -91.71 129.47 42.33 Favored 'Isoleucine or valine' 0 C--O 1.246 0.901 0 CA-C-N 123.347 2.794 . . . . 0.0 112.076 167.506 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 213' ' ' LEU . . . . . . . . . . . . . 17.1 mt -96.05 127.73 42.32 Favored 'General case' 0 C--O 1.205 -1.266 0 C-N-CA 127.564 2.345 . . . . 0.0 111.216 171.118 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 214' ' ' ASN . . . . . . . . . . . . . 30.4 t30 -142.03 167.63 21.66 Favored 'General case' 0 C--N 1.366 1.318 0 CA-C-N 111.392 -2.64 . . . . 0.0 110.989 177.747 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 215' ' ' GLY . . . . . . . . . . . . . . . 35.69 -122.41 0.62 Allowed Glycine 0 CA--C 1.556 2.606 0 C-N-CA 128.287 2.851 . . . . 0.0 117.853 171.841 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 216' ' ' GLU . . . . . . . . . . . . 0.371 1.8 pm0 -59.1 -36.57 75.37 Favored 'General case' 0 C--N 1.322 -0.614 0 O-C-N 127.198 2.352 . . . . 0.0 113.897 -176.33 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 217' ' ' GLU . . . . . . . . . . . . . 41.8 mm-40 -78.76 -31.41 46.19 Favored 'General case' 0 C--O 1.194 -1.841 0 O-C-N 116.331 -3.98 . . . . 0.0 116.998 179.324 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 218' ' ' LEU . . . . . . . . . . . . . 24.0 tp -67.19 -48.55 67.57 Favored 'General case' 0 CA--C 1.599 2.837 0 CA-C-N 113.382 -1.736 . . . . 0.0 111.659 168.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 219' ' ' MET . . . . . . . . . . . . . 13.6 tmm? -45.79 -55.69 6.26 Favored 'General case' 0 CA--C 1.579 2.091 0 O-C-N 118.264 -2.773 . . . . 0.0 111.529 165.182 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 220' ' ' LYS . . . . . . . . . . . . . 40.6 mtmt -68.13 -35.37 77.99 Favored 'General case' 0 N--CA 1.443 -0.786 0 N-CA-C 116.161 1.912 . . . . 0.0 116.161 176.235 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 221' ' ' TRP . . . . . . . . . . . . . 79.9 t90 -62.41 -48.33 80.17 Favored 'General case' 0 C--N 1.263 -3.18 0 CA-C-O 125.319 2.485 . . . . 0.0 113.635 -177.612 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 222' ' ' TRP . . . . . . . . . . . . . 16.4 m95 -71.17 -26.98 63.21 Favored 'General case' 0 N--CA 1.427 -1.595 0 O-C-N 117.475 -3.265 . . . . 0.0 117.943 168.527 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 223' ' ' GLY . . . . . . . . . . . . . . . -69.67 -41.34 75.2 Favored Glycine 0 CA--C 1.554 2.503 0 O-C-N 117.173 -3.455 . . . . 0.0 108.895 176.094 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 224' ' ' PHE . . . . . . . . . . . . . 21.5 m-85 -62.0 -21.9 65.25 Favored 'General case' 0 C--N 1.365 1.259 1 O-C-N 116.397 -4.001 . . . . 0.0 113.956 167.654 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 225' ' ' ILE . . . . . . . . . . . . . 15.4 mt -77.73 -43.35 29.32 Favored 'Isoleucine or valine' 0 CA--C 1.597 2.781 0 O-C-N 119.025 -2.297 . . . . 0.0 106.117 177.518 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 226' ' ' LEU . . . . . . . . . . . . . 40.9 mt -72.58 -29.4 63.5 Favored 'General case' 0 N--CA 1.415 -2.219 0 O-C-N 118.488 -2.632 . . . . 0.0 111.64 177.493 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 227' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -70.36 -31.51 68.81 Favored 'General case' 0 CA--C 1.571 1.763 0 O-C-N 126.545 2.403 . . . . 0.0 114.053 171.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 228' ' ' ARG . . . . . . . . . . . . . 23.9 mtt180 -74.15 -13.93 60.89 Favored 'General case' 0 C--N 1.32 -0.712 0 O-C-N 119.21 -2.182 . . . . 0.0 115.02 168.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 229' ' ' LEU . . . . . . . . . . . . . 89.7 mt -79.84 -42.02 25.15 Favored 'General case' 0 CA--C 1.477 -1.843 0 CA-C-N 119.382 0.992 . . . . 0.0 111.596 163.533 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 230' ' ' LEU . . . . . . . . . . . . . 19.6 mt -63.09 -41.32 99.38 Favored 'General case' 0 C--N 1.387 2.197 0 N-CA-C 108.979 -0.748 . . . . 0.0 108.979 -163.214 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 231' ' ' ILE . . . . . . . . . . . . . 8.9 pt -84.82 16.52 0.5 Allowed 'Isoleucine or valine' 0 N--CA 1.524 3.23 0 N-CA-C 117.785 2.513 . . . . 0.0 117.785 173.296 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 232' ' ' GLU . . . . . . . . . . . . . 51.1 tt0 -150.43 -31.8 0.19 Allowed 'General case' 0 C--O 1.179 -2.645 0 O-C-N 116.913 -3.617 . . . . 0.0 115.072 179.513 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 233' ' ' CYS . . . . . . . . . . . . . 64.8 m -115.31 6.51 14.94 Favored 'General case' 0 N--CA 1.528 3.435 0 N-CA-C 115.003 1.483 . . . . 0.0 115.003 -172.596 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 234' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -141.11 150.37 42.78 Favored 'General case' 0 CA--C 1.597 2.752 0 O-C-N 119.029 -2.294 . . . . 0.0 110.584 -174.477 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 235' ' ' GLN . . . . . . . . . . . . . 49.9 mm-40 -70.27 145.22 51.45 Favored 'General case' 0 C--N 1.306 -1.284 0 C-N-CA 129.117 2.967 . . . . 0.0 110.953 166.591 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 236' ' ' ASN . . . . . . . . . . . . . 40.0 t30 -86.13 22.24 1.8 Allowed 'General case' 0 C--O 1.197 -1.659 0 CA-C-O 125.607 2.622 . . . . 0.0 112.249 -163.519 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 237' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -110.83 1.18 17.55 Favored 'General case' 0 C--O 1.264 1.862 0 O-C-N 117.201 -3.437 . . . . 0.0 110.65 169.569 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 238' ' ' THR . . . . . 0.4 ' CG2' HG23 ' C' ' 332' ' ' ILE . 51.5 m -69.14 145.43 53.33 Favored 'General case' 0 CA--C 1.587 2.373 0 O-C-N 117.64 -3.163 . . . . 0.0 116.872 -172.515 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 239' ' ' GLN . . . . . . . . . . . . . 30.4 mm-40 -90.31 142.84 27.32 Favored 'General case' 0 C--O 1.215 -0.759 0 C-N-CA 127.626 2.371 . . . . 0.0 108.33 -179.141 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 240' ' ' ALA . . . . . . . . . . . . . . . -144.15 124.25 13.66 Favored 'General case' 0 C--N 1.304 -1.382 0 N-CA-C 114.855 1.428 . . . . 0.0 114.855 170.774 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 241' ' ' LYS . . . . . . . . . . . . . 38.3 mmtt -111.91 157.22 20.9 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 126.134 2.146 . . . . 0.0 115.924 -176.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 242' ' ' LEU . . . . . . . . . . . . . 53.9 tp -139.19 140.31 37.77 Favored 'General case' 0 C--O 1.214 -0.796 0 C-N-CA 128.779 2.832 . . . . 0.0 109.74 166.167 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 243' ' ' ARG . . . . . . . . . . . . . 44.6 ttt180 -151.98 149.47 28.93 Favored 'General case' 0 N--CA 1.521 3.112 0 O-C-N 120.238 -1.539 . . . . 0.0 107.374 166.302 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 244' ' ' ILE . . . . . . . . . . . . . 40.7 mt -137.92 126.45 14.43 Favored Pre-proline 0 C--N 1.267 -3.011 0 C-N-CA 131.062 3.745 . . . . 0.0 107.474 -169.662 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 245' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_exo -48.52 125.39 12.33 Favored 'Trans proline' 0 N--CA 1.426 -2.484 0 N-CA-C 118.258 2.368 . . . . 0.0 118.258 170.785 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 246' ' ' GLY . . . . . . . . . . . . . . . 76.52 -9.72 20.61 Favored Glycine 0 CA--C 1.558 2.78 0 N-CA-C 117.814 1.886 . . . . 0.0 117.814 169.221 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 247' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -82.19 138.94 34.56 Favored 'General case' 0 C--N 1.325 -0.462 1 C-N-CA 131.846 4.058 . . . . 0.0 115.142 179.156 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 248' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -60.54 124.37 78.36 Favored Pre-proline 0 CA--C 1.484 -1.585 0 C-N-CA 126.445 1.898 . . . . 0.0 112.613 -179.01 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 249' ' ' PRO . . . . . . . . . . . . . 12.8 Cg_endo -50.66 -27.98 21.19 Favored 'Trans proline' 0 N--CA 1.495 1.59 1 CA-C-O 109.772 -4.345 . . . . 0.0 112.753 -178.63 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 250' ' ' ALA . . . . . . . . . . . . . . . -78.71 -28.48 45.12 Favored 'General case' 0 CA--C 1.492 -1.254 1 CA-C-N 129.694 5.679 . . . . 0.0 112.289 169.313 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 251' ' ' ARG . . . . . . . . . . . . . 27.6 ttt180 -69.98 -30.03 67.27 Favored 'General case' 0 N--CA 1.494 1.764 0 CA-C-N 122.875 2.579 . . . . 0.0 112.843 174.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 252' ' ' VAL . . . . . . . . . . . . . 84.5 t -64.99 -45.89 93.23 Favored 'Isoleucine or valine' 0 CA--C 1.607 3.143 0 O-C-N 117.566 -3.209 . . . . 0.0 109.497 170.831 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 253' ' ' ARG . . . . . . . . . . . . . 18.8 ttm105 -60.53 -30.91 70.05 Favored 'General case' 0 C--N 1.393 2.459 0 O-C-N 128.994 3.934 . . . . 0.0 111.646 176.548 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 254' ' ' SER . . . . . . . . . . . . . 41.9 t -73.61 -36.36 65.49 Favored 'General case' 0 CA--C 1.577 1.986 0 N-CA-C 106.15 -1.796 . . . . 0.0 106.15 -177.688 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 255' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -67.64 -35.2 78.46 Favored 'General case' 0 N--CA 1.499 2.023 0 CA-C-N 121.576 1.989 . . . . 0.0 107.502 -179.611 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 256' ' ' LEU . . . . . . . . . . . . . 86.7 mt -66.43 -6.24 13.83 Favored 'General case' 0 N--CA 1.497 1.905 0 N-CA-C 118.51 2.782 . . . . 0.0 118.51 175.373 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 257' ' ' ARG . . . . . . . . . . . . . 24.5 ttt180 -70.83 -21.88 62.39 Favored 'General case' 0 N--CA 1.436 -1.127 0 CA-C-N 120.292 1.405 . . . . 0.0 109.63 173.338 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 258' ' ' GLY . . . . . . . . . . . . . . . -57.96 -36.11 79.26 Favored Glycine 0 CA--C 1.454 -3.773 0 O-C-N 117.982 -2.949 . . . . 0.0 117.473 163.435 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 259' ' ' MET . . . . . . . . . . . . . 2.1 mpt? -82.49 151.53 26.46 Favored 'General case' 0 C--O 1.268 2.051 0 C-N-CA 126.805 2.042 . . . . 0.0 113.964 -173.451 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 260' ' ' LYS . . . . . . . . . . . . . 18.7 tttt -87.35 -38.57 16.09 Favored 'General case' 0 C--N 1.379 1.854 0 CA-C-O 125.923 2.773 . . . . 0.0 115.798 -166.271 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 261' ' ' TYR . . . . . 0.447 ' HA ' ' HD3' ' C' ' 262' ' ' PRO . 75.5 t80 -71.52 139.66 84.03 Favored Pre-proline 0 CA--C 1.584 2.254 0 CA-C-O 113.945 -2.931 . . . . 0.0 114.131 -172.861 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 262' ' ' PRO . . . . . 0.447 ' HD3' ' HA ' ' C' ' 261' ' ' TYR . 13.9 Cg_exo -78.36 -37.02 0.81 Allowed 'Trans proline' 0 CA--C 1.504 -1.021 0 CA-C-N 123.013 2.112 . . . . 0.0 114.765 -162.562 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 263' ' ' LEU . . . . . . . . . . . . . 34.4 mt -98.41 29.21 3.71 Favored 'General case' 0 CA--C 1.563 1.473 0 CA-C-N 114.356 -1.293 . . . . 0.0 108.1 -160.856 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 264' ' ' TRP . . . . . . . . . . . . . 16.8 m95 -60.57 129.21 40.44 Favored 'General case' 0 N--CA 1.436 -1.159 0 C-N-CA 128.322 2.649 . . . . 0.0 111.503 157.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 265' ' ' GLN . . . . . . . . . . . . . 72.8 mt-30 -146.69 155.55 42.51 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-O 123.565 1.65 . . . . 0.0 108.637 -166.064 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 266' ' ' VAL . . . . . . . . . . . . . 99.3 t -86.73 125.71 40.81 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.536 0 O-C-N 119.26 -2.15 . . . . 0.0 109.341 -178.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 267' ' ' GLY . . . . . . . . . . . . . . . 141.31 -146.28 17.37 Favored Glycine 1 N--CA 1.517 4.085 0 N-CA-C 105.887 -2.885 . . . . 0.0 105.887 -178.804 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 268' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -148.55 135.75 20.23 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 127.855 2.462 . . . . 0.0 115.738 -171.787 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 269' ' ' ILE . . . . . . . . . . . . . 23.6 mm -57.13 -29.09 31.04 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.285 0 N-CA-C 116.162 1.912 . . . . 0.0 116.162 175.42 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 270' ' ' PHE . . . . . . . . . . . . . 63.1 m-85 -89.7 -26.96 20.41 Favored 'General case' 0 C--N 1.318 -0.77 0 O-C-N 117.837 -3.04 . . . . 0.0 113.84 -177.622 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 271' ' ' THR . . . . . . . . . . . . . 96.7 m -63.98 95.55 0.12 Allowed 'General case' 0 CA--C 1.56 1.355 0 N-CA-C 105.13 -2.174 . . . . 0.0 105.13 179.113 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 272' ' ' SER . . . . . . . . . . . . . 70.3 p -76.77 -33.34 58.07 Favored 'General case' 0 C--O 1.254 1.305 0 C-N-CA 128.07 2.548 . . . . 0.0 116.717 -172.581 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 273' ' ' LYS . . . . . . . . . . . . 0.279 95.0 mttt -136.15 144.96 45.31 Favored 'General case' 0 CA--C 1.442 -3.191 0 O-C-N 128.013 3.321 . . . . 0.0 115.31 -172.322 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 274' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -73.25 141.3 47.24 Favored 'General case' 0 C--O 1.195 -1.809 0 CA-C-N 111.65 -2.523 . . . . 0.0 110.442 168.191 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 275' ' ' ASN . . . . . . . . . . . . 0.257 10.6 m-20 55.93 48.5 17.78 Favored 'General case' 0 N--CA 1.479 1.021 0 O-C-N 116.898 -3.626 . . . . 0.0 113.476 172.334 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 276' ' ' SER . . . . . . . . . . . . . 7.4 t -117.05 162.95 16.98 Favored 'General case' 0 CA--C 1.489 -1.396 0 C-N-CA 130.283 3.433 . . . . 0.0 109.852 -161.773 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 277' ' ' LEU . . . . . . . . . . . . . 84.7 mt -78.75 142.38 37.06 Favored 'General case' 0 N--CA 1.485 1.316 0 CA-C-O 117.638 -1.173 . . . . 0.0 108.849 176.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 278' ' ' ALA . . . . . . . . . . . . . . . -61.78 -22.17 65.2 Favored 'General case' 0 C--O 1.24 0.555 0 N-CA-C 114.853 1.427 . . . . 0.0 114.853 178.441 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 279' ' ' VAL . . . . . . . . . . . . . 13.0 p -55.47 -41.75 64.58 Favored 'Isoleucine or valine' 0 C--O 1.175 -2.852 0 O-C-N 118.304 -2.748 . . . . 0.0 116.586 175.479 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 280' ' ' TYR . . . . . . . . . . . . . 35.0 m-85 -86.55 1.81 50.34 Favored 'General case' 0 N--CA 1.502 2.129 0 N-CA-C 116.051 1.871 . . . . 0.0 116.051 -175.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 281' ' ' ASN . . . . . . . . . . . . . 71.1 m-80 -133.79 -11.59 2.66 Favored 'General case' 0 CA--C 1.568 1.637 0 N-CA-C 117.477 2.399 . . . . 0.0 117.477 -166.524 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 282' ' ' ILE . . . . . . . . . . . . . 46.1 mm -115.22 106.05 51.7 Favored Pre-proline 0 N--CA 1.484 1.251 0 CA-C-N 119.539 1.063 . . . . 0.0 108.93 -177.456 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 283' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -67.86 153.0 76.66 Favored 'Trans proline' 0 CA--C 1.541 0.875 0 C-N-CA 125.149 3.899 . . . . 0.0 112.741 -170.755 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 284' ' ' LEU . . . . . . . . . . . . . 26.3 mt -92.74 37.97 1.02 Allowed 'General case' 0 CA--C 1.504 -0.799 0 CA-C-O 124.982 2.325 . . . . 0.0 116.931 -169.229 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 285' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -49.0 149.54 3.24 Favored Pre-proline 0 CA--C 1.606 3.126 1 C-N-CA 132.253 4.221 . . . . 0.0 114.612 175.673 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 286' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_endo -82.74 138.58 9.47 Favored 'Trans proline' 0 C--O 1.268 1.983 0 O-C-N 123.576 1.303 . . . . 0.0 112.255 -178.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 287' ' ' ASP . . . . . . . . . . . . . 38.3 m-20 52.44 13.19 0.28 Allowed 'General case' 0 N--CA 1.482 1.134 0 N-CA-C 121.376 3.843 . . . . 0.0 121.376 177.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 288' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -74.26 131.32 80.87 Favored Pre-proline 0 C--N 1.289 -2.039 0 C-N-CA 126.744 2.018 . . . . 0.0 115.128 159.396 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 289' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -53.42 -32.52 62.71 Favored 'Trans proline' 0 C--N 1.365 1.401 0 C-N-CA 125.194 3.929 . . . . 0.0 114.881 169.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 290' ' ' LYS . . . . . 0.49 ' HE3' ' CD1' ' C' ' 192' ' ' PHE . 8.1 mtmp? -73.23 -47.16 45.69 Favored 'General case' 0 N--CA 1.529 3.523 0 CA-C-N 121.938 2.153 . . . . 0.0 108.989 -179.788 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 291' ' ' ALA . . . . . . . . . . . . . . . -63.52 -43.22 97.79 Favored 'General case' 0 C--O 1.261 1.708 0 C-N-CA 124.581 1.152 . . . . 0.0 109.42 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 292' ' ' ARG . . . . . . . . . . . . . 39.6 ttm180 -60.66 -48.55 81.3 Favored 'General case' 0 C--O 1.205 -1.278 0 CA-C-O 115.143 -2.36 . . . . 0.0 106.403 172.064 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 293' ' ' PHE . . . . . 0.401 ' CD1' ' CE1' ' C' ' 311' ' ' PHE . 1.9 t80 -61.54 -23.49 65.99 Favored 'General case' 0 CA--C 1.575 1.942 0 CA-C-N 124.291 3.223 . . . . 0.0 114.953 176.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 294' ' ' ILE . . . . . . . . . . . . . 17.6 mm -71.95 -27.22 26.85 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.926 0 O-C-N 125.386 1.679 . . . . 0.0 110.505 173.28 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 295' ' ' HIS . . . . . . . . . . . . 0.306 50.4 t-80 -75.07 -51.94 12.27 Favored 'General case' 0 N--CA 1.411 -2.388 0 O-C-N 127.355 2.91 . . . . 0.0 107.395 175.557 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 296' ' ' GLN . . . . . . . . . . . . . 69.0 mt-30 -60.97 -29.92 69.96 Favored 'General case' 0 CA--C 1.569 1.702 1 O-C-N 113.046 -6.034 . . . . 0.0 111.455 173.388 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 297' ' ' LEU . . . . . 0.417 HD13 HG11 ' C' ' 306' ' ' VAL . 40.6 mt -74.97 -15.9 60.65 Favored 'General case' 0 C--O 1.189 -2.081 0 O-C-N 125.325 1.641 . . . . 0.0 111.763 170.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 298' ' ' ALA . . . . . . . . . . . . . . . -82.05 -30.84 31.18 Favored 'General case' 0 N--CA 1.474 0.738 0 O-C-N 116.359 -3.963 . . . . 0.0 118.477 160.794 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 299' ' ' GLU . . . . . . . . . . . . . 27.2 tp10 -73.54 -46.88 44.97 Favored 'General case' 0 CA--C 1.506 -0.741 0 CA-C-O 126.375 2.988 . . . . 0.0 110.049 175.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 300' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -60.35 -21.86 62.58 Favored 'General case' 0 C--N 1.36 1.063 1 O-C-N 115.336 -4.602 . . . . 0.0 114.348 159.27 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' C' C ' 301' ' ' ASP . . . . . . . . . . . . 0.29 20.3 t0 48.19 50.33 16.39 Favored 'General case' 0 C--O 1.277 2.525 0 CA-C-N 120.162 1.347 . . . . 0.0 114.343 -169.023 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 302' ' ' ARG . . . . . . . . . . . . 0.283 19.3 ttp-105 -97.77 0.03 46.16 Favored 'General case' 0 N--CA 1.45 -0.463 0 O-C-N 117.542 -3.224 . . . . 0.0 113.192 167.896 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 303' ' ' LEU . . . . . . . . . . . . . 49.1 tp -71.58 -29.86 65.18 Favored 'General case' 0 N--CA 1.537 3.906 0 N-CA-C 114.986 1.476 . . . . 0.0 114.986 -153.789 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 304' ' ' LEU . . . . . . . . . . . . . 16.9 mt -71.09 4.2 2.9 Favored 'General case' 0 C--O 1.27 2.137 0 N-CA-C 115.548 1.684 . . . . 0.0 115.548 169.349 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 305' ' ' LYS . . . . . . . . . . . . . 49.0 mtpt -132.0 -21.16 2.42 Favored 'General case' 0 C--O 1.275 2.421 0 O-C-N 125.588 1.805 . . . . 0.0 107.861 -171.333 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 306' ' ' VAL . . . . . 0.425 HG12 ' H ' ' C' ' 306' ' ' VAL . 3.2 p -76.72 117.05 20.87 Favored 'Isoleucine or valine' 1 C--O 1.152 -4.045 0 CA-C-O 126.481 3.038 . . . . 0.0 115.41 -171.987 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' C' C ' 307' ' ' SER . . . . . . . . . . . . . 1.5 t -70.32 152.67 43.9 Favored 'General case' 0 C--O 1.248 1.024 0 O-C-N 118.537 -2.602 . . . . 0.0 117.436 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 308' ' ' LEU . . . . . . . . . . . . . 7.2 tt -74.73 -40.05 61.5 Favored 'General case' 0 C--N 1.296 -1.729 0 O-C-N 116.808 -3.683 . . . . 0.0 111.934 -174.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 309' ' ' SER . . . . . . . . . . . . . 31.0 p -48.4 -52.74 20.5 Favored 'General case' 0 N--CA 1.419 -2.017 0 C-N-CA 123.676 0.791 . . . . 0.0 111.602 167.623 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 310' ' ' SER . . . . . . . . . . . . . 38.8 t -63.54 -29.44 70.71 Favored 'General case' 0 C--O 1.214 -0.77 0 N-CA-C 115.679 1.733 . . . . 0.0 115.679 -179.237 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 311' ' ' PHE . . . . . 0.401 ' CE1' ' CD1' ' C' ' 293' ' ' PHE . 23.4 t80 -72.62 -45.65 58.01 Favored 'General case' 0 C--O 1.281 2.755 0 CA-C-N 114.039 -1.437 . . . . 0.0 111.763 172.528 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 312' ' ' TRP . . . . . . . . . . . . . 73.6 m95 -65.43 -21.81 66.7 Favored 'General case' 0 C--O 1.276 2.476 1 N-CA-C 121.921 4.045 . . . . 0.0 121.921 169.48 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 313' ' ' ILE . . . . . . . . . . . . 0.25 59.9 mt -77.72 -43.95 29.18 Favored 'Isoleucine or valine' 0 CA--C 1.565 1.528 0 N-CA-C 106.89 -1.522 . . . . 0.0 106.89 176.575 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 314' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -56.78 -42.6 79.73 Favored 'General case' 0 CA--C 1.486 -1.513 0 CA-C-O 116.959 -1.496 . . . . 0.0 111.781 166.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 315' ' ' LEU . . . . . . . . . . . . . 79.2 mt -57.92 -32.78 68.1 Favored 'General case' 1 N--CA 1.542 4.165 1 CA-C-N 126.419 4.19 . . . . 0.0 115.643 169.228 . . . . . . . . 3 2 . 1 . 001 nuclear build full ' C' C ' 316' ' ' GLN . . . . . . . . . . . . . 41.9 tp60 -68.62 -57.63 5.44 Favored 'General case' 0 N--CA 1.503 2.178 0 CA-C-N 119.34 0.973 . . . . 0.0 110.962 172.004 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 317' ' ' GLU . . . . . . . . . . . . . 23.1 mm-40 -68.28 -37.06 80.3 Favored 'General case' 0 N--CA 1.498 1.935 0 CA-C-O 114.519 -2.658 . . . . 0.0 113.524 -169.611 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 318' ' ' ARG . . . . . . . . . . . . . 55.4 mtp180 -91.75 92.49 8.43 Favored 'General case' 0 N--CA 1.526 3.332 0 CA-C-O 123.275 1.512 . . . . 0.0 108.646 -171.685 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 319' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -61.04 -17.48 52.59 Favored 'General case' 0 N--CA 1.519 3.0 0 C-N-CA 127.189 2.196 . . . . 0.0 110.21 171.061 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 320' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -68.97 -27.34 65.63 Favored 'General case' 0 CA--C 1.57 1.747 0 O-C-N 125.793 1.933 . . . . 0.0 111.92 -179.444 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 321' ' ' PHE . . . . . . . . . . . . . 42.2 m-85 -66.89 -17.51 64.93 Favored 'General case' 0 CA--C 1.495 -1.137 0 C-N-CA 129.621 3.168 . . . . 0.0 110.939 175.356 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 322' ' ' LYS . . . . . . . . . . . . 0.355 26.4 tptt 51.41 60.64 3.72 Favored 'General case' 0 N--CA 1.414 -2.264 1 C-N-CA 133.678 4.791 . . . . 0.0 112.773 176.517 . . . . . . . . 3 2 . 1 . 001 nuclear build full ' C' C ' 323' ' ' LEU . . . . . 0.46 HD22 ' CZ ' ' C' ' 192' ' ' PHE . 59.7 mt -83.59 -25.64 30.72 Favored 'General case' 0 C--N 1.291 -1.953 0 N-CA-C 116.966 2.21 . . . . 0.0 116.966 178.062 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 324' ' ' SER . . . . . . . . . . . . . 14.8 t 63.82 168.17 0.15 Allowed 'General case' 0 N--CA 1.432 -1.359 0 C-N-CA 128.058 2.543 . . . . 0.0 110.561 -173.101 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 325' ' ' VAL . . . . . . . . . . . . . 59.7 t -77.8 154.19 5.28 Favored 'Isoleucine or valine' 0 CA--C 1.574 1.88 0 O-C-N 116.934 -3.604 . . . . 0.0 109.931 -173.257 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 326' ' ' THR . . . . . . . . . . . . 0.411 5.3 m 46.34 40.06 7.25 Favored 'General case' 1 N--CA 1.547 4.384 0 CA-C-N 111.738 -2.483 . . . . 0.0 112.638 -167.809 . . . . . . . . 3 2 . 1 . 001 nuclear build full ' C' C ' 327' ' ' SER . . . . . . . . . . . . . 34.8 t -57.39 156.55 7.67 Favored 'General case' 0 CA--C 1.588 2.439 0 N-CA-C 108.747 -0.835 . . . . 0.0 108.747 162.337 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 328' ' ' SER . . . . . . . . . . . . . 24.0 p -149.82 140.53 22.65 Favored 'General case' 0 C--O 1.282 2.807 0 N-CA-C 120.23 3.419 . . . . 0.0 120.23 176.145 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 329' ' ' VAL . . . . . . . . . . . . . 92.7 t -91.85 120.93 41.82 Favored 'Isoleucine or valine' 0 C--O 1.266 1.935 0 CA-C-O 124.976 2.322 . . . . 0.0 107.015 159.371 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 330' ' ' MET . . . . . . . . . . . . . 21.4 ptp -129.21 158.84 37.91 Favored 'General case' 0 C--O 1.264 1.82 0 O-C-N 118.615 -2.553 . . . . 0.0 115.246 171.09 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 331' ' ' GLY . . . . . . . . . . . . . . . -175.51 174.06 46.61 Favored Glycine 0 N--CA 1.413 -2.855 0 O-C-N 119.464 -2.023 . . . . 0.0 112.511 178.075 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 332' ' ' ILE . . . . . 0.4 HG23 ' CG2' ' C' ' 238' ' ' THR . 72.1 mt -126.62 158.59 36.84 Favored 'Isoleucine or valine' 0 N--CA 1.515 2.806 0 CA-C-O 115.736 -2.078 . . . . 0.0 106.656 174.861 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 333' ' ' SER . . . . . . . . . . . . . 41.2 t -144.21 132.03 21.38 Favored 'General case' 0 CA--C 1.471 -2.062 0 C-N-CA 126.5 1.92 . . . . 0.0 114.105 152.461 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 161.69 -158.94 30.85 Favored Glycine 0 C--N 1.282 -2.444 0 N-CA-C 119.264 2.466 . . . . 0.0 119.264 172.468 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 335' ' ' TYR . . . . . . . . . . . . . 49.8 m-85 -95.14 124.54 39.24 Favored 'General case' 0 C--O 1.255 1.381 0 CA-C-N 121.369 2.584 . . . . 0.0 113.293 -178.301 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 336' ' ' SER . . . . . . . . . . . . . 88.4 p -57.35 145.06 33.69 Favored 'General case' 0 CA--C 1.627 3.905 0 CA-C-N 122.718 2.508 . . . . 0.0 111.054 171.51 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 337' ' ' LEU . . . . . . . . . . . . . 10.9 tp -57.77 -33.01 68.06 Favored 'General case' 0 N--CA 1.517 2.916 0 CA-C-O 124.001 1.858 . . . . 0.0 111.101 -171.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 338' ' ' ALA . . . . . . . . . . . . . . . -124.81 159.31 31.3 Favored 'General case' 0 C--O 1.244 0.778 0 O-C-N 119.287 -2.133 . . . . 0.0 115.542 165.718 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 339' ' ' THR . . . . . . . . . . . . . 16.5 m -76.85 140.84 67.51 Favored Pre-proline 0 N--CA 1.412 -2.35 0 O-C-N 125.476 1.735 . . . . 0.0 113.047 179.283 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 340' ' ' PRO . . . . . . . . . . . . . 44.8 Cg_endo -70.29 171.74 14.46 Favored 'Trans proline' 0 CA--C 1.592 3.401 0 C-N-CA 121.705 1.603 . . . . 0.0 110.953 -179.307 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 341' ' ' SER . . . . . . . . . . . . 0.28 12.5 p -158.61 -17.56 0.07 Allowed 'General case' 0 N--CA 1.527 3.417 0 N-CA-C 117.512 2.412 . . . . 0.0 117.512 -175.621 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 342' ' ' LEU . . . . . . . . . . . . . 41.6 mt -72.78 157.34 37.69 Favored 'General case' 0 CA--C 1.574 1.873 0 C-N-CA 112.873 -3.531 . . . . 0.0 110.71 -168.471 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 343' ' ' PHE . . . . . . . . . . . . . 26.9 m-85 -138.0 89.85 14.42 Favored Pre-proline 0 N--CA 1.494 1.757 0 CA-C-N 108.497 -3.956 . . . . 0.0 101.601 158.377 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 344' ' ' PRO . . . . . . . . . . . . . 81.1 Cg_exo -64.65 143.01 79.64 Favored 'Trans proline' 0 C--O 1.253 1.233 0 N-CA-C 116.974 1.875 . . . . 0.0 116.974 -169.829 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 345' ' ' SER . . . . . . . . . . . . . 10.2 p -75.96 173.2 11.53 Favored 'General case' 0 N--CA 1.422 -1.872 0 O-C-N 127.892 3.245 . . . . 0.0 111.252 -176.228 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 346' ' ' SER . . . . . . . . . . . . . 30.3 t -55.67 -25.91 42.0 Favored 'General case' 0 C--O 1.19 -2.043 0 C-N-CA 131.364 3.866 . . . . 0.0 114.366 159.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -91.85 -9.43 43.4 Favored 'General case' 0 CA--C 1.588 2.413 0 CA-C-O 114.08 -2.867 . . . . 0.0 108.29 176.837 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 348' ' ' ASP . . . . . . . . . . . . . 46.5 m-20 -89.16 -26.12 21.46 Favored 'General case' 0 C--O 1.212 -0.917 0 CA-C-N 122.816 2.553 . . . . 0.0 115.527 163.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 349' ' ' VAL . . . . . . . . . . . . . 7.1 p -171.03 130.99 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.368 1.405 0 O-C-N 120.355 -1.466 . . . . 0.0 111.352 -165.136 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 350' ' ' ILE . . . . . . . . . . . . . 51.4 mt -78.72 135.66 25.45 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.033 0 N-CA-C 107.299 -1.371 . . . . 0.0 107.299 172.502 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 351' ' ' VAL . . . . . . . . . . . . . 61.0 t -127.25 79.6 72.91 Favored Pre-proline 0 C--O 1.25 1.125 0 N-CA-C 105.228 -2.138 . . . . 0.0 105.228 -176.784 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 352' ' ' PRO . . . . . . . . . . . . 0.267 26.7 Cg_endo -67.78 145.36 68.76 Favored 'Trans proline' 0 CA--C 1.586 3.108 1 C-N-CA 125.531 4.154 . . . . 0.0 109.516 -173.072 . . . . . . . . 3 2 . 1 . 001 nuclear build full ' C' C ' 353' ' ' LYS . . . . . . . . . . . . . 49.4 mtpt -77.5 15.64 0.76 Allowed 'General case' 0 C--N 1.366 1.313 0 O-C-N 118.881 -2.387 . . . . 0.0 114.708 -174.341 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 354' ' ' SER . . . . . . . . . . . . . 3.0 t -163.93 144.74 8.61 Favored 'General case' 0 C--O 1.209 -1.03 0 CA-C-N 122.754 2.524 . . . . 0.0 112.222 174.642 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 355' ' ' ARG . . . . . . . . . . . . . 79.6 mtm180 -60.15 -33.06 71.64 Favored 'General case' 0 N--CA 1.495 1.798 0 C-N-CA 127.707 2.403 . . . . 0.0 112.371 170.332 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 356' ' ' LYS . . . . . . . . . . . . . 76.4 mttt -65.42 -48.51 72.53 Favored 'General case' 0 N--CA 1.513 2.692 0 O-C-N 118.434 -2.666 . . . . 0.0 113.028 168.359 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 357' ' ' GLN . . . . . . . . . . . . . 9.9 tp60 -54.0 -51.57 63.5 Favored 'General case' 0 C--O 1.262 1.732 0 O-C-N 121.633 -0.667 . . . . 0.0 109.215 174.372 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 358' ' ' PHE . . . . . . . . . . . . . 36.9 t80 -55.48 -47.8 75.58 Favored 'General case' 0 C--O 1.259 1.572 0 O-C-N 118.433 -2.667 . . . . 0.0 116.957 179.108 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 359' ' ' ARG . . . . . . . . . . . . 0.253 79.3 mtm-85 -43.94 -51.39 7.67 Favored 'General case' 0 C--N 1.366 1.323 0 CA-C-O 122.175 0.988 . . . . 0.0 113.443 160.328 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 360' ' ' ALA . . . . . . . . . . . . . . . -68.15 -31.85 71.71 Favored 'General case' 0 C--O 1.177 -2.737 0 O-C-N 119.074 -2.266 . . . . 0.0 113.193 -170.551 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 361' ' ' ILE . . . . . . . . . . . . . 58.3 mt -67.94 -33.87 63.84 Favored 'Isoleucine or valine' 0 N--CA 1.409 -2.51 0 CA-C-O 115.958 -1.972 . . . . 0.0 109.378 177.389 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 362' ' ' LYS . . . . . . . . . . . . . 51.0 mtpt -70.22 -52.83 20.21 Favored 'General case' 0 CA--C 1.567 1.617 0 CA-C-O 124.463 2.077 . . . . 0.0 109.703 174.031 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 363' ' ' LYS . . . . . . . . . . . . . 17.4 tptm -54.52 -38.86 67.02 Favored 'General case' 0 C--O 1.294 3.446 0 O-C-N 119.088 -2.257 . . . . 0.0 111.772 -177.62 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 364' ' ' TYR . . . . . . . . . . . . 0.253 43.3 m-85 -44.98 -37.0 3.69 Favored 'General case' 0 N--CA 1.492 1.666 1 N-CA-C 121.987 4.069 . . . . 0.0 121.987 164.354 . . . . . . . . 3 2 . 1 . 001 nuclear build full ' C' C ' 365' ' ' ILE . . . . . 0.582 ' N ' HD12 ' C' ' 365' ' ' ILE . 3.0 mp -92.92 -54.12 7.69 Favored 'Isoleucine or valine' 1 N--CA 1.54 4.04 0 O-C-N 118.7 -2.5 . . . . 0.0 114.43 166.57 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' C' C ' 366' ' ' THR . . . . . . . . . . . . . 70.2 p -84.79 4.45 32.89 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-O 117.564 -1.208 . . . . 0.0 112.73 -165.266 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 367' ' ' GLY . . . . . . . . . . . . . . . -96.49 -20.18 25.56 Favored Glycine 0 CA--C 1.544 1.871 0 CA-C-O 116.853 -2.081 . . . . 0.0 109.161 175.213 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 368' ' ' GLU . . . . . . . . . . . . . 14.4 tp10 -76.48 162.72 27.59 Favored 'General case' 0 CA--C 1.556 1.183 0 CA-C-N 120.326 2.063 . . . . 0.0 111.146 -169.055 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 369' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -98.49 96.3 7.9 Favored 'General case' 0 N--CA 1.499 2.01 0 O-C-N 116.767 -3.708 . . . . 0.0 116.571 -177.786 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 370' ' ' TYR . . . . . . . . . . . . 0.321 54.9 m-85 -77.22 20.37 0.28 Allowed 'General case' 0 N--CA 1.529 3.522 0 CA-C-N 113.549 -1.66 . . . . 0.0 112.243 -167.624 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 371' ' ' ASP . . . . . . . . . . . . 0.267 38.3 t0 -59.55 -8.47 1.93 Allowed 'General case' 0 C--O 1.287 3.03 0 O-C-N 118.475 -2.641 . . . . 0.0 110.226 173.08 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 372' ' ' THR . . . . . . . . . . . . . 9.2 t -153.63 154.89 35.03 Favored 'General case' 0 C--O 1.213 -0.848 0 C-N-CA 129.233 3.013 . . . . 0.0 111.25 -163.066 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 373' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -62.79 -19.38 63.97 Favored 'General case' 0 N--CA 1.477 0.895 0 CA-C-O 126.244 2.926 . . . . 0.0 115.196 173.233 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 374' ' ' GLU . . . . . . . . . . . . . 62.4 mt-10 -79.73 -5.72 55.79 Favored 'General case' 0 N--CA 1.434 -1.266 0 O-C-N 118.32 -2.737 . . . . 0.0 111.325 -173.65 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 375' ' ' GLY . . . . . . . . . . . . . . . -84.58 -48.76 4.87 Favored Glycine 0 C--O 1.263 1.954 0 N-CA-C 107.259 -2.336 . . . . 0.0 107.259 176.443 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 376' ' ' ALA . . . . . . . . . . . . . . . -60.15 -31.21 69.88 Favored 'General case' 0 N--CA 1.493 1.688 0 CA-C-O 115.37 -2.252 . . . . 0.0 111.34 172.544 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 377' ' ' ILE . . . . . . . . . . . . . 99.1 mt -73.24 -39.49 56.17 Favored 'Isoleucine or valine' 0 CA--C 1.489 -1.401 0 CA-C-N 122.292 2.315 . . . . 0.0 113.34 174.091 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 378' ' ' GLU . . . . . 0.599 ' HG2' ' HE3' ' A' ' 177' ' ' LYS . 44.2 tp10 -71.3 -40.43 70.83 Favored 'General case' 0 CA--C 1.581 2.171 0 CA-C-O 121.258 0.551 . . . . 0.0 111.322 177.2 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 379' ' ' ALA . . . . . . . . . . . . . . . -55.64 -21.26 17.02 Favored 'General case' 0 N--CA 1.48 1.06 0 O-C-N 118.772 -2.455 . . . . 0.0 113.192 174.544 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 380' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -99.18 -47.95 5.02 Favored 'General case' 0 CA--C 1.597 2.752 0 C-N-CA 117.348 -1.741 . . . . 0.0 114.338 170.342 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 381' ' ' THR . . . . . 0.453 HG22 HH12 ' C' ' 384' ' ' ARG . 50.3 p -60.38 -27.35 67.34 Favored 'General case' 1 N--CA 1.554 4.749 0 O-C-N 119.852 -1.78 . . . . 0.0 110.556 179.484 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' C' C ' 382' ' ' ASN . . . . . . . . . . . . . 27.0 t30 -83.36 -41.3 18.34 Favored 'General case' 0 C--N 1.387 2.203 0 O-C-N 119.098 -2.251 . . . . 0.0 112.94 -173.485 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 383' ' ' ILE . . . . . . . . . . . . . 6.9 tp -67.69 -41.93 85.89 Favored 'Isoleucine or valine' 0 C--O 1.273 2.315 0 O-C-N 120.723 -1.235 . . . . 0.0 113.323 169.861 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 384' ' ' ARG . . . . . 0.453 HH12 HG22 ' C' ' 381' ' ' THR . 42.3 ttp180 -43.77 -70.56 0.1 Allowed 'General case' 0 CA--C 1.587 2.366 0 C-N-CA 126.815 2.046 . . . . 0.0 108.047 172.178 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 385' ' ' ASP . . . . . . . . . . . . . 71.5 m-20 -64.31 -26.14 68.36 Favored 'General case' 0 CA--C 1.592 2.577 0 O-C-N 120.722 -1.236 . . . . 0.0 108.841 -173.008 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 386' ' ' PHE . . . . . . . . . . . . . 36.5 t80 -57.89 -63.7 1.16 Allowed 'General case' 0 CA--C 1.573 1.855 0 O-C-N 118.652 -2.53 . . . . 0.0 114.439 167.292 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 387' ' ' LEU . . . . . . . . . . . . . 62.0 mt -59.52 -27.58 66.31 Favored 'General case' 0 CA--C 1.592 2.595 0 CA-C-O 116.824 -1.56 . . . . 0.0 111.526 -179.094 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 388' ' ' LEU . . . . . . . . . . . . . 64.0 tp -79.44 -44.4 21.44 Favored 'General case' 0 N--CA 1.493 1.72 0 N-CA-C 117.464 2.394 . . . . 0.0 117.464 173.568 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 389' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -86.51 -8.24 57.73 Favored 'General case' 0 N--CA 1.507 2.413 0 N-CA-C 117.273 2.323 . . . . 0.0 117.273 176.386 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 390' ' ' ARG . . . . . . . . . . . . 0.319 74.2 mmt-85 -118.63 2.5 11.72 Favored 'General case' 0 C--N 1.379 1.889 1 N-CA-C 122.078 4.103 . . . . 0.0 122.078 168.307 . . . . . . . . 3 2 . 1 . 001 nuclear build full ' C' C ' 391' ' ' MET . . . . . . . . . . . . 0.251 15.8 ttt -157.9 5.36 0.13 Allowed 'General case' 0 CA--C 1.595 2.699 0 N-CA-C 114.078 1.14 . . . . 0.0 114.078 -176.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 392' ' ' ALA . . . . . . . . . . . . . . . 41.71 32.84 0.28 Allowed 'General case' 0 C--O 1.27 2.149 0 N-CA-C 116.035 1.865 . . . . 0.0 116.035 -166.5 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 393' ' ' THR . . . . . . . . . . . . . 5.1 m -115.73 151.34 35.3 Favored 'General case' 0 CA--C 1.598 2.801 1 O-C-N 116.047 -4.158 . . . . 0.0 113.491 -165.301 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 394' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 -88.59 159.55 17.84 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 130.397 3.479 . . . . 0.0 111.478 164.823 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 395' ' ' LEU . . . . . . . . . . . . . 48.2 mt -64.17 151.32 43.7 Favored 'General case' 0 C--O 1.261 1.667 0 CA-C-N 119.284 0.947 . . . . 0.0 110.667 155.653 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 396' ' ' GLN . . . . . . . . . . . . . 94.9 mm-40 -70.4 147.33 49.64 Favored 'General case' 0 C--N 1.403 2.927 0 O-C-N 118.969 -2.332 . . . . 0.0 114.262 165.393 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 397' ' ' SER . . . . . . . . . . . . . 22.8 t -141.6 144.23 34.1 Favored 'General case' 0 N--CA 1.529 3.486 0 O-C-N 125.864 1.977 . . . . 0.0 112.096 -176.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 398' ' ' LEU . . . . . 0.601 HD12 ' HB3' ' C' ' 8' ' ' SER . 2.0 pt? -164.5 143.33 7.13 Favored 'General case' 0 C--N 1.274 -2.705 0 CA-C-O 125.976 2.798 . . . . 0.0 115.677 -175.891 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 399' ' ' THR . . . . . . . . . . . . . 30.5 m -78.18 137.0 37.93 Favored 'General case' 0 N--CA 1.495 1.776 0 C-N-CA 127.737 2.415 . . . . 0.0 111.918 173.275 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 400' ' ' GLY . . . . . . . . . . . . . . . -83.28 166.76 44.41 Favored Glycine 0 N--CA 1.479 1.518 0 CA-C-O 127.385 3.769 . . . . 0.0 115.109 171.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 401' ' ' LYS . . . . . . . . . . . . . 79.5 mttt -124.12 -15.16 6.88 Favored 'General case' 0 CA--C 1.479 -1.778 0 N-CA-C 118.387 2.736 . . . . 0.0 118.387 -165.015 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 402' ' ' ARG . . . . . . . . . . . . . 41.3 ttp180 -89.23 110.42 21.19 Favored 'General case' 0 N--CA 1.415 -2.179 0 C-N-CA 124.371 1.068 . . . . 0.0 113.333 -164.633 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 403' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -75.02 154.68 37.9 Favored 'General case' 0 CA--C 1.556 1.207 0 N-CA-C 118.39 2.737 . . . . 0.0 118.39 175.767 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 404' ' ' HIS . . . . . . . . . . . . . 81.4 t60 -87.82 60.82 6.1 Favored 'General case' 0 C--O 1.256 1.4 0 O-C-N 119.68 -1.887 . . . . 0.0 107.274 173.281 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 405' ' ' ARG . . . . . . . . . . . . . 7.9 ptm180 -169.11 145.58 3.45 Favored 'General case' 0 C--N 1.289 -2.05 0 C-N-CA 127.179 2.192 . . . . 0.0 114.558 178.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 406' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -133.19 158.97 41.53 Favored 'General case' 0 C--O 1.257 1.449 0 CA-C-O 123.966 1.841 . . . . 0.0 110.128 -174.134 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 407' ' ' ARG . . . . . . . . . . . . . 33.5 ptt180 -119.57 -21.9 7.17 Favored 'General case' 0 C--O 1.266 1.938 0 CA-C-O 115.438 -2.22 . . . . 0.0 113.029 173.068 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 408' ' ' ASN . . . . . . . . . . . . . 24.0 t-20 -119.29 -22.36 7.14 Favored 'General case' 0 N--CA 1.479 0.999 0 N-CA-C 117.521 2.415 . . . . 0.0 117.521 177.524 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 409' ' ' GLN . . . . . . . . . . . . . 43.4 mm-40 -88.11 156.58 51.75 Favored Pre-proline 0 C--N 1.307 -1.244 0 O-C-N 119.003 -2.311 . . . . 0.0 114.073 173.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 410' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -81.1 -9.43 12.85 Favored 'Trans proline' 0 CA--C 1.559 1.75 0 C-N-CA 121.309 1.339 . . . . 0.0 113.749 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 411' ' ' VAL . . . . . . . . . . . . . 5.5 p -155.5 138.55 10.68 Favored Pre-proline 0 N--CA 1.505 2.313 0 N-CA-C 104.975 -2.232 . . . . 0.0 104.975 -179.703 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 412' ' ' PRO . . . . . . . . . . . . 0.251 56.6 Cg_endo -62.54 156.58 51.41 Favored 'Trans proline' 0 C--N 1.374 1.901 0 C-N-CA 120.851 1.034 . . . . 0.0 112.083 169.661 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 413' ' ' ALA . . . . . . . . . . . . . . . -76.83 -33.69 57.92 Favored 'General case' 0 N--CA 1.5 2.028 0 CA-C-O 123.261 1.505 . . . . 0.0 114.899 175.624 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 414' ' ' SER . . . . . . . . . . . . . 19.6 m -80.52 26.63 0.38 Allowed 'General case' 0 C--O 1.264 1.838 0 CA-C-N 112.341 -2.208 . . . . 0.0 109.812 -165.774 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 415' ' ' ASN . . . . . . . . . . . . . 17.1 p30 -82.47 -170.21 2.83 Favored 'General case' 0 N--CA 1.418 -2.044 0 O-C-N 119.804 -1.81 . . . . 0.0 115.071 -172.51 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 416' ' ' ILE . . . . . . . . . . . . . 14.5 tt -50.54 -21.34 1.12 Allowed 'Isoleucine or valine' 0 CA--C 1.564 1.497 0 N-CA-C 121.436 3.865 . . . . 0.0 121.436 -176.3 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 417' ' ' ASN . . . . . . . . . . . . . 60.4 m-80 -74.39 -2.99 27.8 Favored 'General case' 0 CA--C 1.595 2.681 0 CA-C-N 115.116 -0.947 . . . . 0.0 113.487 175.854 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 418' ' ' THR . . . . . . . . . . . . 0.369 80.5 p . . . . . 0 CA--C 1.46 -2.507 0 O-C-N 127.132 2.77 . . . . 0.0 113.12 178.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 1' ' ' SER . . . . . . . . . . . . . 68.6 p . . . . . 0 C--O 1.192 -1.971 0 CA-C-O 122.479 1.133 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' D' D ' 2' ' ' SER . . . . . 0.446 ' HB2' ' CZ2' ' D' ' 153' ' ' TRP . 59.5 p -59.35 145.55 42.94 Favored 'General case' 0 CA--C 1.563 1.471 0 O-C-N 117.454 -3.279 . . . . 0.0 112.53 172.849 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 3' ' ' ILE . . . . . . . . . . . . . 28.1 mm -79.77 -45.74 22.9 Favored 'Isoleucine or valine' 0 C--O 1.197 -1.708 0 O-C-N 121.04 -1.037 . . . . 0.0 112.381 -177.031 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 4' ' ' VAL . . . . . . . . . . . . . 39.8 t -93.47 144.36 9.65 Favored 'Isoleucine or valine' 0 C--O 1.263 1.81 0 CA-C-O 126.883 3.23 . . . . 0.0 108.479 166.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 5' ' ' SER . . . . . . . . . . . . . 28.2 t -157.1 154.61 29.69 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 117.475 -3.266 . . . . 0.0 107.969 -174.757 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 6' ' ' LEU . . . . . . . . . . . . . 18.3 tp -94.7 116.62 28.97 Favored 'General case' 0 CA--C 1.575 1.912 0 C-N-CA 128.218 2.607 . . . . 0.0 113.555 -178.336 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 7' ' ' LEU . . . . . . . . . . . . . 16.3 mt -84.03 -34.68 24.22 Favored 'General case' 0 N--CA 1.522 3.139 0 O-C-N 118.429 -2.669 . . . . 0.0 111.842 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 8' ' ' GLY . . . . . . . . . . . . . . . 172.34 178.63 42.66 Favored Glycine 0 N--CA 1.415 -2.728 0 CA-C-O 124.205 2.003 . . . . 0.0 113.95 160.208 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 9' ' ' ILE . . . . . 0.416 HG22 ' N ' ' D' ' 10' ' ' LYS . 12.1 mt -137.93 138.47 43.83 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.475 0 O-C-N 119.482 -2.187 . . . . 0.0 115.868 175.663 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 10' ' ' LYS . . . . . 0.416 ' N ' HG22 ' D' ' 9' ' ' ILE . 25.9 pttt -126.83 146.88 50.1 Favored 'General case' 0 C--O 1.178 -2.669 0 CA-C-O 116.009 -1.948 . . . . 0.0 115.568 172.025 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 11' ' ' VAL . . . . . . . . . . . . . 21.7 t -105.17 112.3 38.18 Favored 'Isoleucine or valine' 0 CA--C 1.593 2.634 0 CA-C-O 114.576 -2.63 . . . . 0.0 113.374 -171.137 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 12' ' ' LEU . . . . . . . . . . . . . 74.5 mt -78.04 -33.12 51.17 Favored 'General case' 0 N--CA 1.536 3.847 0 O-C-N 126.754 2.534 . . . . 0.0 111.631 -161.652 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 13' ' ' ASN . . . . . . . . . . . . 0.282 26.8 p-10 -124.04 82.14 1.99 Allowed 'General case' 0 C--N 1.272 -2.763 0 O-C-N 125.419 1.7 . . . . 0.0 113.048 -167.88 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 14' ' ' ASN . . . . . . . . . . . . . 12.9 t30 -152.33 155.43 33.04 Favored Pre-proline 0 CA--C 1.575 1.914 0 N-CA-C 114.283 1.216 . . . . 0.0 114.283 174.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 15' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -66.31 155.56 81.55 Favored 'Cis proline' 0 CA--C 1.465 -2.974 0 CA-C-N 119.937 1.013 . . . . 0.0 110.924 -12.145 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 16' ' ' ALA . . . . . . . . . . . . . . . -147.62 177.77 9.01 Favored 'General case' 0 C--N 1.31 -1.119 0 CA-C-O 123.176 1.465 . . . . 0.0 113.716 -168.431 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 17' ' ' LYS . . . . . . . . . . . . . 50.5 mtpt -61.55 146.99 46.96 Favored 'General case' 0 C--O 1.203 -1.393 0 O-C-N 117.51 -3.244 . . . . 0.0 105.037 171.586 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 18' ' ' PHE . . . . . . . . . . . . 0.257 51.2 t80 -47.88 -43.91 29.03 Favored 'General case' 0 C--O 1.246 0.883 0 N-CA-C 115.023 1.49 . . . . 0.0 115.023 156.768 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 19' ' ' THR . . . . . . . . . . . . . 31.9 p -87.45 8.96 22.42 Favored 'General case' 0 N--CA 1.524 3.233 0 O-C-N 126.093 2.121 . . . . 0.0 111.057 -175.144 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 20' ' ' ASP . . . . . . . . . . . . . 90.3 m-20 -79.98 145.45 61.36 Favored Pre-proline 0 N--CA 1.497 1.903 0 CA-C-O 115.708 -2.091 . . . . 0.0 109.787 165.207 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 21' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_exo -56.68 158.87 15.22 Favored 'Trans proline' 0 CA--C 1.546 1.119 0 C-N-CA 122.687 2.258 . . . . 0.0 114.052 164.237 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 22' ' ' TYR . . . . . . . . . . . . . 57.1 m-85 -102.45 100.3 10.42 Favored 'General case' 0 N--CA 1.397 -3.103 0 C-N-CA 129.812 3.245 . . . . 0.0 107.705 178.294 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 23' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -91.59 121.79 33.58 Favored 'General case' 0 C--N 1.375 1.7 0 O-C-N 116.586 -3.821 . . . . 0.0 108.684 -177.57 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 24' ' ' PHE . . . . . . . . . . . . . 39.3 m-85 -129.19 151.7 49.58 Favored 'General case' 0 C--O 1.259 1.588 0 O-C-N 125.422 1.701 . . . . 0.0 108.532 -178.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 25' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -133.15 105.42 7.01 Favored 'General case' 0 CA--C 1.568 1.636 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 171.606 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 26' ' ' ILE . . . . . . . . . . . . . 11.1 mt -104.44 131.89 52.32 Favored 'Isoleucine or valine' 0 N--CA 1.512 2.645 0 C-N-CA 129.354 3.062 . . . . 0.0 111.976 -167.74 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 27' ' ' THR . . . . . . . . . . . . . 82.3 m -125.5 129.78 50.44 Favored 'General case' 0 N--CA 1.511 2.578 0 CA-C-N 120.292 1.406 . . . . 0.0 109.223 -178.04 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 28' ' ' PHE . . . . . . . . . . . . 0.311 33.5 p90 -141.24 173.88 11.06 Favored 'General case' 0 C--N 1.297 -1.68 0 C-N-CA 125.453 1.501 . . . . 0.0 111.65 -163.047 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 29' ' ' GLU . . . . . . . . . . . . . 76.3 tt0 -147.66 143.23 27.5 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 117.679 -3.138 . . . . 0.0 110.635 -174.616 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 30' ' ' CYS . . . . . 0.479 ' HB3' ' HA ' ' D' ' 67' ' ' VAL . 49.5 t -122.04 115.37 22.38 Favored 'General case' 0 C--N 1.305 -1.363 1 CA-C-O 111.252 -4.213 . . . . 0.0 107.546 175.906 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 71.3 mt -63.12 -34.67 78.1 Favored 'General case' 0 CA--C 1.552 1.056 0 CA-C-N 123.572 2.896 . . . . 0.0 116.533 -179.09 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 32' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -167.2 160.82 14.06 Favored 'General case' 0 N--CA 1.499 1.994 0 CA-C-N 112.774 -2.012 . . . . 0.0 108.128 -169.21 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 33' ' ' SER . . . . . . . . . . . . . 56.5 m -60.89 117.31 5.27 Favored 'General case' 0 N--CA 1.5 2.041 0 C-N-CA 126.501 1.92 . . . . 0.0 115.531 -171.678 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 44.5 mt -92.88 161.61 14.42 Favored 'General case' 0 C--O 1.272 2.286 0 C-N-CA 117.792 -1.563 . . . . 0.0 113.172 174.319 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 35' ' ' LYS . . . . . . . . . . . . . 90.4 mttt -88.0 -52.66 5.14 Favored 'General case' 0 C--N 1.393 2.483 0 N-CA-C 117.439 2.385 . . . . 0.0 117.439 177.123 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 36' ' ' HIS . . . . . . . . . . . . . 95.3 m-70 -76.1 -174.78 2.85 Favored 'General case' 0 N--CA 1.494 1.751 0 N-CA-C 114.059 1.133 . . . . 0.0 114.059 -177.192 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 37' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -88.38 150.34 23.24 Favored 'General case' 0 CA--C 1.57 1.718 0 O-C-N 119.856 -1.778 . . . . 0.0 111.805 174.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 38' ' ' LEU . . . . . . . . . . . . . 15.8 tp -96.06 143.21 27.41 Favored 'General case' 0 C--N 1.294 -1.81 0 C-N-CA 129.741 3.216 . . . . 0.0 111.892 162.16 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 39' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -143.97 118.76 9.88 Favored 'General case' 0 N--CA 1.4 -2.956 0 O-C-N 123.698 0.624 . . . . 0.0 109.428 -173.747 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 40' ' ' TRP . . . . . . . . . . . . . 20.4 m95 -89.99 137.97 31.9 Favored 'General case' 0 N--CA 1.508 2.427 0 C-N-CA 126.317 1.847 . . . . 0.0 107.701 170.846 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 41' ' ' LYS . . . . . . . . . . . . 0.367 28.9 tttt -138.3 138.88 38.8 Favored 'General case' 0 CA--C 1.484 -1.565 0 CA-C-N 113.72 -1.582 . . . . 0.0 111.153 168.26 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 42' ' ' LEU . . . . . . . . . . . . . 15.2 tp -120.99 129.41 53.4 Favored 'General case' 0 CA--C 1.556 1.178 0 N-CA-C 107.141 -1.429 . . . . 0.0 107.141 -176.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 43' ' ' THR . . . . . . . . . . . . . 99.4 m -137.83 150.11 46.89 Favored 'General case' 0 CA--C 1.576 1.956 0 CA-C-O 115.817 -2.039 . . . . 0.0 112.018 -174.218 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 44' ' ' TYR . . . . . . . . . . . . . 15.6 t80 -107.73 130.15 54.97 Favored 'General case' 0 C--O 1.278 2.564 0 C-N-CA 130.694 3.598 . . . . 0.0 114.782 176.457 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 45' ' ' VAL . . . . . . . . . . . . . 77.2 t -84.35 109.38 17.58 Favored 'Isoleucine or valine' 0 CA--C 1.574 1.868 0 CA-C-N 124.379 3.263 . . . . 0.0 114.854 -179.015 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 46' ' ' GLY . . . . . . . . . . . . . . . -72.66 -19.13 79.03 Favored Glycine 0 N--CA 1.488 2.127 0 N-CA-C 117.209 1.643 . . . . 0.0 117.209 -173.504 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 47' ' ' SER . . . . . . . . . . . . . 31.7 t -161.06 151.59 18.03 Favored 'General case' 0 N--CA 1.518 2.936 0 C-N-CA 126.698 1.999 . . . . 0.0 113.791 168.006 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 48' ' ' SER . . . . . . . . . . . . . 89.1 p -70.28 -22.0 62.9 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 114.116 -1.402 . . . . 0.0 113.925 167.062 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 49' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -86.66 -17.42 33.82 Favored 'General case' 0 N--CA 1.493 1.721 0 N-CA-C 118.395 2.739 . . . . 0.0 118.395 -174.908 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 50' ' ' SER . . . . . . . . . . . . . 41.7 t -142.13 136.2 29.81 Favored 'General case' 0 CA--C 1.479 -1.757 0 N-CA-C 116.393 1.998 . . . . 0.0 116.393 177.077 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 51' ' ' LEU . . . . . 0.487 HD22 ' H ' ' D' ' 51' ' ' LEU . 0.2 OUTLIER -68.97 -22.57 64.1 Favored 'General case' 0 C--O 1.191 -2.011 0 CA-C-N 120.11 1.323 . . . . 0.0 114.087 163.522 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' D' D ' 52' ' ' ASP . . . . . . . . . . . . . 71.5 m-20 -66.37 -2.83 4.92 Favored 'General case' 0 N--CA 1.511 2.601 0 CA-C-N 124.291 3.223 . . . . 0.0 113.071 179.133 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 53' ' ' HIS . . . . . . . . . . . . . 49.9 m170 -100.71 3.86 42.65 Favored 'General case' 0 N--CA 1.513 2.707 0 C-N-CA 126.939 2.096 . . . . 0.0 112.413 178.014 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 54' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -73.03 145.14 46.83 Favored 'General case' 0 C--O 1.207 -1.153 0 CA-C-O 115.612 -2.137 . . . . 0.0 112.611 172.822 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 55' ' ' GLN . . . . . . . . . . . . 0.298 56.3 mt-30 -117.56 140.45 49.61 Favored 'General case' 0 CA--C 1.591 2.537 0 N-CA-C 104.132 -2.544 . . . . 0.0 104.132 -179.752 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 65.0 tt0 -84.29 117.45 23.56 Favored 'General case' 0 CA--C 1.48 -1.745 0 O-C-N 120.143 -1.598 . . . . 0.0 107.813 164.181 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 57' ' ' LEU . . . . . . . . . . . . . 66.5 mt -78.71 -37.35 41.71 Favored 'General case' 0 C--O 1.196 -1.743 0 O-C-N 126.096 2.122 . . . . 0.0 115.402 171.375 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 58' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -166.68 156.15 11.14 Favored 'General case' 0 C--N 1.375 1.695 0 CA-C-O 125.179 2.419 . . . . 0.0 115.338 178.804 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 59' ' ' SER . . . . . . . . . . . . . 25.3 p -141.63 156.46 45.66 Favored 'General case' 0 C--N 1.305 -1.364 0 O-C-N 117.447 -3.283 . . . . 0.0 108.857 168.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 60' ' ' ILE . . . . . . . . . . . . . 17.3 mm -141.65 120.36 9.81 Favored 'Isoleucine or valine' 0 C--O 1.271 2.213 0 C-N-CA 127.441 2.296 . . . . 0.0 109.137 -169.048 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 61' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -103.75 132.22 50.21 Favored 'General case' 0 N--CA 1.506 2.332 0 C-N-CA 127.128 2.171 . . . . 0.0 111.328 178.751 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 62' ' ' VAL . . . . . . . . . . . . . 40.0 t -141.32 115.68 5.37 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.94 0 CA-C-O 122.81 1.29 . . . . 0.0 110.357 176.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 63' ' ' GLY . . . . . . . . . . . . . . . -149.71 117.76 0.88 Allowed Glycine 0 C--O 1.184 -2.996 0 CA-C-N 113.171 -1.831 . . . . 0.0 114.217 176.007 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 64' ' ' PRO . . . . . . . . . . . . . 89.7 Cg_endo -82.16 160.94 78.21 Favored 'Cis proline' 0 N--CA 1.524 3.278 1 CA-C-N 124.621 4.211 . . . . 0.0 118.516 2.291 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 65' ' ' VAL . . . . . . . . . . . . . 21.3 t -76.97 127.59 83.39 Favored Pre-proline 0 CA--C 1.569 1.68 0 O-C-N 119.704 -1.872 . . . . 0.0 108.238 -177.517 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 66' ' ' PRO . . . . . . . . . . . . . 17.2 Cg_exo -69.47 134.34 28.35 Favored 'Trans proline' 0 CA--C 1.553 1.46 0 N-CA-C 108.523 -1.376 . . . . 0.0 108.523 175.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 67' ' ' VAL . . . . . 0.479 ' HA ' ' HB3' ' D' ' 30' ' ' CYS . 41.9 t -76.94 146.23 8.98 Favored 'Isoleucine or valine' 0 CA--C 1.592 2.574 0 O-C-N 119.542 -1.974 . . . . 0.0 105.703 -179.293 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 68' ' ' GLY . . . . . . . . . . . . . . . 96.45 -170.58 27.12 Favored Glycine 0 C--N 1.38 2.997 0 CA-C-N 112.645 -2.071 . . . . 0.0 114.424 178.264 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 69' ' ' VAL . . . . . . . . . . . . . 80.3 t -64.49 142.64 16.63 Favored 'Isoleucine or valine' 0 N--CA 1.517 2.896 0 CA-C-O 125.043 2.354 . . . . 0.0 107.824 175.804 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 70' ' ' ASN . . . . . . . . . . . . . 46.0 t30 -160.37 145.68 14.85 Favored 'General case' 0 N--CA 1.417 -2.118 0 O-C-N 119.944 -1.722 . . . . 0.0 113.203 -177.295 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 71' ' ' LYS . . . . . . . . . . . . 0.317 25.7 ttmt -130.06 140.01 50.9 Favored 'General case' 0 CA--C 1.463 -2.397 0 C-N-CA 126.722 2.009 . . . . 0.0 110.101 -167.374 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 72' ' ' PHE . . . . . . . . . . . . 0.308 7.8 t80 -130.76 140.18 50.29 Favored 'General case' 0 CA--C 1.499 -1.017 0 C-N-CA 129.186 2.994 . . . . 0.0 113.581 176.328 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 73' ' ' VAL . . . . . . . . . . . . . 37.3 t -113.55 140.75 32.22 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.465 0 O-C-N 117.413 -3.304 . . . . 0.0 114.206 -179.082 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 74' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -117.33 159.62 22.44 Favored 'General case' 0 C--O 1.247 0.951 0 C-N-CA 129.715 3.206 . . . . 0.0 112.969 175.857 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 75' ' ' SER . . . . . . . . . . . . . 5.6 t -153.22 51.43 0.73 Allowed 'General case' 0 C--O 1.235 0.34 0 C-N-CA 128.596 2.758 . . . . 0.0 115.947 170.37 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 76' ' ' ALA . . . . . . . . . . . . . . . -75.0 132.58 41.46 Favored 'General case' 0 CA--C 1.553 1.075 0 CA-C-N 112.876 -1.965 . . . . 0.0 111.521 -159.468 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 77' ' ' ASP . . . . . . . . . . . . . 32.0 m-20 -53.84 132.14 57.27 Favored Pre-proline 0 N--CA 1.429 -1.482 0 O-C-N 127.864 3.228 . . . . 0.0 112.302 177.206 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 78' ' ' PRO . . . . . . . . . . . . . 95.3 Cg_endo -64.48 168.87 12.09 Favored 'Trans proline' 0 CA--C 1.57 2.296 0 N-CA-C 115.523 1.317 . . . . 0.0 115.523 -179.697 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 79' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_endo -78.68 148.85 23.14 Favored 'Trans proline' 0 C--N 1.367 1.529 0 C-N-CA 125.08 3.853 . . . . 0.0 111.564 -175.037 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 80' ' ' SER . . . . . . . . . . . . . 8.2 t -70.53 106.9 3.62 Favored 'General case' 0 CA--C 1.555 1.143 0 N-CA-C 115.272 1.582 . . . . 0.0 115.272 170.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 81' ' ' ALA . . . . . . . . . . . . . . . -49.87 -34.89 21.49 Favored 'General case' 0 C--N 1.315 -0.914 0 N-CA-C 118.386 2.736 . . . . 0.0 118.386 166.67 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 82' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -68.31 -31.39 70.78 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 117.888 -3.007 . . . . 0.0 110.226 178.123 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 83' ' ' LEU . . . . . . . . . . . . . 7.3 mt -81.41 -15.94 53.65 Favored 'General case' 0 C--O 1.27 2.136 0 C-N-CA 118.622 -1.231 . . . . 0.0 110.901 176.239 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 84' ' ' ILE . . . . . . . . . . . . . 18.9 mt -83.43 128.79 62.87 Favored Pre-proline 0 CA--C 1.574 1.868 0 C-N-CA 126.597 1.959 . . . . 0.0 113.309 -177.782 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 85' ' ' PRO . . . . . . . . . . . . 0.297 47.5 Cg_exo -47.47 114.42 1.03 Allowed 'Trans proline' 0 N--CA 1.442 -1.536 0 N-CA-C 116.327 1.626 . . . . 0.0 116.327 169.393 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 86' ' ' ALA . . . . . . . . . . . . . . . -50.48 -27.01 5.76 Favored 'General case' 0 C--O 1.26 1.644 1 N-CA-C 122.347 4.202 . . . . 0.0 122.347 -177.7 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 87' ' ' SER . . . . . . . . . . . . . 80.5 p -82.17 -31.66 30.37 Favored 'General case' 0 CA--C 1.462 -2.422 0 O-C-N 126.225 2.203 . . . . 0.0 113.233 173.805 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 88' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -73.53 -34.13 65.07 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 125.626 1.571 . . . . 0.0 112.007 175.587 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 89' ' ' LEU . . . . . . . . . . . . 0.263 10.7 tp -61.97 -42.57 99.28 Favored 'General case' 0 C--O 1.267 1.99 0 CA-C-O 123.233 1.492 . . . . 0.0 112.477 -163.58 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 90' ' ' VAL . . . . . . . . . . . . . 24.3 m -78.76 39.87 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.389 2.285 0 O-C-N 119.791 -1.818 . . . . 0.0 111.234 178.356 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 91' ' ' SER . . . . . . . . . . . . . 2.1 t -152.26 169.05 23.44 Favored 'General case' 0 N--CA 1.494 1.744 0 N-CA-C 115.847 1.795 . . . . 0.0 115.847 -173.251 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 92' ' ' VAL . . . . . . . . . . . . 0.361 12.4 p -55.34 135.4 18.4 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.589 0 C-N-CA 128.896 2.878 . . . . 0.0 113.248 172.002 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 93' ' ' THR . . . . . 0.407 ' HA ' HD22 ' E' ' 126' ' ' LEU . 3.6 t -156.34 -178.67 7.5 Favored 'General case' 0 CA--C 1.565 1.554 0 O-C-N 125.583 1.802 . . . . 0.0 108.432 173.289 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 94' ' ' VAL . . . . . . . . . . . . . 32.8 m -115.17 148.31 17.98 Favored 'Isoleucine or valine' 0 N--CA 1.41 -2.443 0 N-CA-C 117.928 2.566 . . . . 0.0 117.928 173.523 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 95' ' ' ILE . . . . . . . . . . . . . 13.9 pt -108.07 140.96 24.59 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.224 0 O-C-N 127.893 3.246 . . . . 0.0 109.041 163.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 96' ' ' LEU . . . . . . . . . . . . . 29.3 mt -133.47 123.38 25.16 Favored 'General case' 0 N--CA 1.424 -1.757 0 C-N-CA 127.016 2.126 . . . . 0.0 110.226 -170.571 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 97' ' ' LEU . . . . . . . . . . . . . 13.9 tp -98.12 119.55 36.97 Favored 'General case' 0 C--O 1.173 -2.965 0 O-C-N 127.727 3.142 . . . . 0.0 108.003 165.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 98' ' ' SER . . . . . . . . . . . . . 38.4 t -84.81 140.79 30.94 Favored 'General case' 0 CA--C 1.489 -1.394 0 CA-C-N 112.74 -2.027 . . . . 0.0 109.712 161.515 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 99' ' ' CYS . . . . . . . . . . . . 0.465 5.9 t -122.08 130.8 53.57 Favored 'General case' 0 C--O 1.276 2.489 0 O-C-N 117.397 -3.314 . . . . 0.0 106.855 160.401 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 100' ' ' SER . . . . . . . . . . . . . 22.5 t -137.31 133.24 34.73 Favored 'General case' 0 C--O 1.196 -1.761 0 O-C-N 117.74 -3.1 . . . . 0.0 113.93 -175.125 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 101' ' ' TYR . . . . . . . . . . . . . 75.0 t80 -113.83 132.2 55.96 Favored 'General case' 0 N--CA 1.489 1.486 0 CA-C-O 113.345 -3.217 . . . . 0.0 111.091 173.807 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 102' ' ' ASP . . . . . . . . . . . . . 23.6 t0 47.11 34.56 2.96 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 128.69 3.744 . . . . 0.0 114.321 -176.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 103' ' ' GLY . . . . . . . . . . . . . . . 83.95 5.82 87.38 Favored Glycine 0 CA--C 1.571 3.548 0 CA-C-N 112.014 -2.357 . . . . 0.0 116.155 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 104' ' ' ARG . . . . . . . . . . . . . 51.4 mtm-85 -111.77 123.61 50.6 Favored 'General case' 0 N--CA 1.514 2.773 0 N-CA-C 104.034 -2.58 . . . . 0.0 104.034 174.19 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 105' ' ' GLU . . . . . 0.403 ' CD ' ' HE ' ' D' ' 108' ' ' ARG . 25.6 tt0 -69.29 113.95 7.1 Favored 'General case' 0 C--O 1.254 1.307 0 CA-C-N 112.784 -2.007 . . . . 0.0 111.319 170.174 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 106' ' ' PHE . . . . . . . . . . . . . 16.9 p90 -106.2 -9.3 16.95 Favored 'General case' 0 C--N 1.36 1.026 0 O-C-N 125.989 2.056 . . . . 0.0 110.29 -179.448 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 107' ' ' VAL . . . . . . . . . . . . . 10.0 p -157.39 140.47 6.6 Favored 'Isoleucine or valine' 0 CA--C 1.591 2.543 0 N-CA-C 115.267 1.581 . . . . 0.0 115.267 173.571 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 108' ' ' ARG . . . . . 0.403 ' HE ' ' CD ' ' D' ' 105' ' ' GLU 0.342 5.5 tpp85 -121.35 134.61 55.13 Favored 'General case' 1 N--CA 1.369 -4.519 0 C-N-CA 127.369 2.267 . . . . 0.0 112.807 168.979 . . . . . . . . 4 3 . 1 . 001 nuclear build full ' D' D ' 109' ' ' VAL . . . . . . . . . . . . . 2.8 t -114.54 127.72 71.91 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.268 0 CA-C-N 120.078 1.308 . . . . 0.0 109.966 168.112 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 110' ' ' GLY . . . . . . . . . . . . . . . -116.63 148.21 18.88 Favored Glycine 0 N--CA 1.508 3.449 0 CA-C-O 123.961 1.867 . . . . 0.0 113.528 171.826 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 111' ' ' TYR . . . . . . . . . . . . . 60.7 m-85 -133.62 133.29 41.81 Favored 'General case' 0 N--CA 1.404 -2.731 0 CA-C-N 111.26 -2.47 . . . . 0.0 111.914 177.346 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 112' ' ' TYR . . . . . . . . . . . . . 64.2 m-85 -73.16 132.25 43.01 Favored 'General case' 0 CA--C 1.486 -1.503 0 C-N-CA 125.471 1.508 . . . . 0.0 108.494 171.695 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 113' ' ' VAL . . . . . . . . . . . . . 59.3 t -120.45 123.59 70.8 Favored 'Isoleucine or valine' 0 C--N 1.382 1.997 0 C-N-CA 130.419 3.488 . . . . 0.0 108.128 174.754 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 114' ' ' ASN . . . . . . . . . . . . . 27.8 t30 -102.71 121.19 41.93 Favored 'General case' 0 C--N 1.279 -2.461 0 CA-C-O 124.359 2.028 . . . . 0.0 112.849 166.88 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 115' ' ' ASN . . . . . . . . . . . . . 49.6 m-20 -94.85 105.16 17.07 Favored 'General case' 0 C--N 1.401 2.835 0 O-C-N 119.038 -2.288 . . . . 0.0 114.559 172.588 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 116' ' ' GLU . . . . . . . . . . . . . 50.8 tt0 -133.83 145.85 50.1 Favored 'General case' 0 C--O 1.279 2.61 0 CA-C-N 120.613 1.551 . . . . 0.0 112.285 174.381 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 117' ' ' TYR . . . . . . . . . . . . . 61.8 m-85 -66.4 141.28 58.0 Favored 'General case' 0 C--N 1.275 -2.631 0 C-N-CA 124.005 0.922 . . . . 0.0 111.594 -179.496 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 118' ' ' ASP . . . . . . . . . . . . . 19.3 t0 -81.8 2.02 32.05 Favored 'General case' 0 N--CA 1.417 -2.102 0 C-N-CA 125.15 1.38 . . . . 0.0 113.991 176.051 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 119' ' ' GLU . . . . . . . . . . . . . 50.2 mm-40 -114.37 132.78 56.09 Favored 'General case' 0 CA--C 1.579 2.058 0 N-CA-C 108.485 -0.932 . . . . 0.0 108.485 175.813 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 120' ' ' GLU . . . . . . . . . . . . . 27.7 tp10 -65.1 -38.34 90.42 Favored 'General case' 0 CA--C 1.573 1.835 0 CA-C-O 118.174 -0.917 . . . . 0.0 110.804 -170.023 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 121' ' ' GLU . . . . . . . . . . . . . 38.3 tp10 -69.01 -27.87 66.08 Favored 'General case' 0 CA--C 1.567 1.599 0 CA-C-O 115.953 -1.975 . . . . 0.0 113.402 177.288 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 122' ' ' LEU . . . . . . . . . . . . . 39.2 mt -80.67 -29.57 36.59 Favored 'General case' 0 N--CA 1.513 2.707 0 CA-C-N 120.357 1.435 . . . . 0.0 109.196 170.315 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 123' ' ' ARG . . . . . . . . . . . . . 87.4 mtm-85 -56.95 -39.75 75.14 Favored 'General case' 0 CA--C 1.599 2.865 1 O-C-N 116.197 -4.064 . . . . 0.0 114.058 164.255 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 124' ' ' GLU . . . . . . . . . . . . . 41.8 tp10 -79.44 -38.47 34.58 Favored 'General case' 0 N--CA 1.484 1.24 0 CA-C-N 111.021 -2.809 . . . . 0.0 115.604 -178.43 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 125' ' ' ASN . . . . . . . . . . . . . 23.0 m-20 -129.29 87.2 54.37 Favored Pre-proline 0 N--CA 1.432 -1.37 0 CA-C-O 115.085 -2.388 . . . . 0.0 104.745 179.249 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 126' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -60.28 126.26 19.65 Favored 'Trans proline' 0 N--CA 1.531 3.699 0 C-N-CA 123.567 2.844 . . . . 0.0 109.828 169.858 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 127' ' ' PRO . . . . . . . . . . . . 0.325 6.7 Cg_endo -71.91 157.5 54.72 Favored 'Trans proline' 0 N--CA 1.455 -0.781 0 C-N-CA 124.923 3.749 . . . . 0.0 117.248 175.707 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 128' ' ' ALA . . . . . . . . . . . . . . . -60.49 -47.55 85.65 Favored 'General case' 0 N--CA 1.51 2.537 0 C-N-CA 128.168 2.587 . . . . 0.0 116.009 162.525 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 129' ' ' LYS . . . . . . . . . . . . . 54.8 mttp -85.23 120.01 26.24 Favored 'General case' 0 CA--C 1.575 1.915 0 CA-C-N 121.694 2.043 . . . . 0.0 110.991 165.165 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 130' ' ' VAL . . . . . . . . . . . . . 98.8 t -80.17 138.83 19.15 Favored 'Isoleucine or valine' 1 N--CA 1.577 5.925 0 O-C-N 118.256 -2.777 . . . . 0.0 108.894 -169.057 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 131' ' ' GLN . . . . . . . . . . . . 0.277 6.5 mt-30 -90.64 73.13 6.77 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 127.432 2.293 . . . . 0.0 112.278 176.326 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 132' ' ' VAL . . . . . . . . . . . . 0.298 95.4 t -48.23 -29.59 2.36 Favored 'Isoleucine or valine' 0 C--N 1.371 1.524 0 N-CA-C 119.63 3.196 . . . . 0.0 119.63 -173.231 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 133' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -78.58 -15.45 58.54 Favored 'General case' 0 C--O 1.211 -0.949 1 C-N-CA 132.228 4.211 . . . . 0.0 113.123 179.84 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 134' ' ' HIS . . . . . . . . . . . . . 71.3 m80 -109.85 -5.55 15.5 Favored 'General case' 0 CA--C 1.561 1.379 0 CA-C-O 113.178 -3.296 . . . . 0.0 112.163 177.826 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 135' ' ' ILE . . . . . . . . . . . . . 10.6 mt -68.78 118.58 13.17 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.949 0 CA-C-N 121.58 1.991 . . . . 0.0 111.418 167.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 136' ' ' VAL . . . . . . . . . . . . . 53.7 t -88.57 125.49 41.8 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.306 0 C-N-CA 127.701 2.4 . . . . 0.0 111.625 164.491 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 137' ' ' ARG . . . . . . . . . . . . . 13.9 ptt-85 -86.26 144.24 27.52 Favored 'General case' 0 CA--C 1.475 -1.911 1 O-C-N 116.262 -4.024 . . . . 0.0 110.609 165.854 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 138' ' ' ASN . . . . . . . . . . . . . 52.5 t-20 -124.33 105.52 9.52 Favored 'General case' 0 N--CA 1.5 2.067 0 O-C-N 117.711 -3.118 . . . . 0.0 111.695 169.04 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 139' ' ' ILE . . . . . . . . . . . . . 43.9 mt -88.0 132.15 33.84 Favored 'Isoleucine or valine' 0 C--N 1.362 1.129 0 N-CA-C 105.862 -1.903 . . . . 0.0 105.862 -179.207 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 140' ' ' LEU . . . . . . . . . . . . . 9.9 tp -69.13 60.03 0.11 Allowed 'General case' 0 C--N 1.374 1.666 0 C-N-CA 126.41 1.884 . . . . 0.0 115.675 165.591 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 141' ' ' ALA . . . . . . . . . . . . . . . -61.97 -10.58 10.06 Favored 'General case' 0 N--CA 1.428 -1.55 0 N-CA-C 119.446 3.128 . . . . 0.0 119.446 177.244 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 142' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -83.24 -20.82 33.83 Favored 'General case' 0 CA--C 1.588 2.432 0 N-CA-C 118.187 2.662 . . . . 0.0 118.187 165.804 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 143' ' ' LYS . . . . . . . . . . . . . 50.7 mttt -132.09 56.87 25.79 Favored Pre-proline 0 C--N 1.296 -1.73 0 C-N-CA 128.194 2.598 . . . . 0.0 116.624 -173.683 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 144' ' ' PRO . . . . . . . . . . . . . 94.8 Cg_endo -52.08 140.32 50.43 Favored 'Trans proline' 0 CA--C 1.572 2.41 0 CA-C-O 124.194 1.664 . . . . 0.0 112.436 158.636 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 145' ' ' ARG . . . . . . . . . . . . . 12.3 mmt180 -103.31 110.69 22.78 Favored 'General case' 0 N--CA 1.386 -3.659 0 C-N-CA 126.949 2.1 . . . . 0.0 110.189 163.306 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 146' ' ' VAL . . . . . . . . . . . . . 51.3 t -103.31 96.27 4.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 C-N-CA 129.102 2.961 . . . . 0.0 107.68 -172.807 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 147' ' ' THR . . . . . . . . . . . . . 6.1 m -86.94 111.07 20.46 Favored 'General case' 0 C--O 1.274 2.353 0 N-CA-C 107.105 -1.443 . . . . 0.0 107.105 172.092 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 148' ' ' ARG . . . . . . . . . . . . . 17.7 ptt180 -90.14 156.85 18.06 Favored 'General case' 0 C--O 1.261 1.673 0 CA-C-O 116.451 -1.738 . . . . 0.0 113.381 170.672 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 149' ' ' PHE . . . . . . . . . . . . . 62.4 m-85 -144.72 128.04 16.82 Favored 'General case' 0 N--CA 1.485 1.316 0 C-N-CA 125.205 1.402 . . . . 0.0 108.033 -173.287 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 150' ' ' ASN . . . . . . . . . . . . . 54.4 t-20 -77.24 137.07 38.6 Favored 'General case' 0 C--O 1.199 -1.573 0 O-C-N 117.721 -3.112 . . . . 0.0 111.059 176.386 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 151' ' ' ILE . . . . . . . . . . . . . 18.7 pt -140.04 169.92 15.64 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.193 0 CA-C-O 124.596 2.141 . . . . 0.0 113.43 176.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 152' ' ' VAL . . . . . . . . . . . . . 51.3 t -71.32 139.6 19.6 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.202 0 O-C-N 118.665 -2.522 . . . . 0.0 111.979 164.408 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 153' ' ' TRP . . . . . 0.446 ' CZ2' ' HB2' ' D' ' 2' ' ' SER . 94.4 m95 -111.05 -23.34 10.98 Favored 'General case' 0 N--CA 1.495 1.822 0 C-N-CA 128.873 2.869 . . . . 0.0 116.615 177.261 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 154' ' ' ASP . . . . . . . . . . . . . 46.6 t0 -148.71 130.81 15.39 Favored 'General case' 0 C--O 1.263 1.79 0 O-C-N 126.69 2.494 . . . . 0.0 108.374 158.359 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 155' ' ' ASN . . . . . . . . . . . . . 19.3 m120 -79.96 -24.43 40.96 Favored 'General case' 0 C--O 1.266 1.947 0 O-C-N 119.411 -2.056 . . . . 0.0 111.198 179.048 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 156' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -76.61 -14.85 59.96 Favored 'General case' 0 N--CA 1.417 -2.075 0 CA-C-O 114.055 -2.878 . . . . 0.0 110.785 175.793 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 157' ' ' ASN . . . . . . . . . . . . . 64.1 t30 -98.04 -35.55 10.39 Favored 'General case' 0 C--N 1.392 2.432 0 CA-C-N 123.256 2.753 . . . . 0.0 113.476 171.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 158' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -126.8 129.61 48.65 Favored 'General case' 0 C--N 1.394 2.518 0 CA-C-O 125.977 2.799 . . . . 0.0 114.869 -176.251 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 159' ' ' GLY . . . . . . . . . . . . . . . -98.62 114.27 4.97 Favored Glycine 0 C--O 1.254 1.366 0 CA-C-O 116.123 -2.487 . . . . 0.0 113.835 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 160' ' ' ASP . . . . . . . . . . . . . 56.2 t0 -82.53 125.7 31.42 Favored 'General case' 0 C--O 1.269 2.124 0 O-C-N 127.223 2.367 . . . . 0.0 111.245 176.557 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 161' ' ' LEU . . . . . . . . . . . . . 9.7 mt -64.87 -29.64 70.6 Favored 'General case' 0 CA--C 1.567 1.613 0 C-N-CA 124.49 1.116 . . . . 0.0 109.4 -174.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 162' ' ' TYR . . . . . . . . . . . . . 92.4 m-85 -147.23 54.06 1.84 Allowed Pre-proline 0 C--O 1.28 2.673 1 O-C-N 115.523 -4.486 . . . . 0.0 111.944 -167.038 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 163' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -60.94 143.01 99.25 Favored 'Trans proline' 0 N--CA 1.45 -1.059 0 O-C-N 123.423 1.223 . . . . 0.0 113.493 -175.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 164' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo . . . . . 0 N--CA 1.504 2.11 0 O-C-N 116.371 -2.489 . . . . 0.0 108.94 -171.559 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' E' E ' 60' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 C--O 1.281 2.762 0 N-CA-C 115.922 1.823 . . . . 0.0 115.922 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' E' E ' 61' ' ' LEU . . . . . . . . . . . . . 24.5 mt -67.42 -34.35 77.05 Favored 'General case' 0 N--CA 1.506 2.375 0 O-C-N 120.171 -1.581 . . . . 0.0 111.807 -178.115 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 62' ' ' ILE . . . . . . . . . . . . . 30.2 mt -85.87 149.73 4.13 Favored 'Isoleucine or valine' 0 N--CA 1.539 3.983 0 CA-C-O 115.589 -2.148 . . . . 0.0 105.482 -178.319 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 63' ' ' ARG . . . . . . . . . . . . . 30.8 mmt-85 -82.06 118.84 23.32 Favored 'General case' 0 C--O 1.248 1.0 0 O-C-N 124.776 1.298 . . . . 0.0 111.605 164.743 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 64' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -46.39 -70.45 0.1 Allowed 'General case' 0 CA--C 1.491 -1.298 0 O-C-N 128.144 3.402 . . . . 0.0 114.35 -170.159 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 65' ' ' LEU . . . . . . . . . . . . 0.276 14.6 mt -64.43 -28.64 3.13 Favored Pre-proline 0 C--O 1.202 -1.439 0 N-CA-C 120.456 3.502 . . . . 0.0 120.456 -160.502 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 66' ' ' PRO . . . . . . . . . . . . . 16.1 Cg_exo -74.37 -37.16 2.64 Favored 'Trans proline' 0 N--CA 1.422 -2.7 0 C-N-CA 123.936 3.091 . . . . 0.0 113.624 166.084 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 67' ' ' PHE . . . . . . . . . . . . . 54.7 t80 -53.07 -52.18 59.39 Favored 'General case' 0 C--O 1.263 1.796 0 CA-C-O 115.665 -2.112 . . . . 0.0 113.791 164.819 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 68' ' ' GLN . . . . . . . . . . . . . 47.6 mt-30 -55.73 -36.49 67.3 Favored 'General case' 0 C--N 1.29 -1.992 0 N-CA-C 116.55 2.056 . . . . 0.0 116.55 175.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 69' ' ' ARG . . . . . . . . . . . . . 38.3 ttt180 -75.5 -35.87 60.7 Favored 'General case' 0 C--N 1.294 -1.841 0 O-C-N 121.137 -0.977 . . . . 0.0 110.828 172.47 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 70' ' ' LEU . . . . . . . . . . . . 0.333 52.2 tp -54.94 -36.44 65.28 Favored 'General case' 0 N--CA 1.483 1.195 0 CA-C-O 126.951 3.262 . . . . 0.0 117.64 166.422 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 71' ' ' VAL . . . . . 0.481 HG12 ' CZ ' ' E' ' 84' ' ' PHE 0.275 6.6 t -67.08 -42.86 88.92 Favored 'Isoleucine or valine' 0 CA--C 1.455 -2.69 0 CA-C-O 114.995 -2.431 . . . . 0.0 110.542 176.75 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' E' E ' 72' ' ' ARG . . . . . . . . . . . . . 4.0 tmt_? -64.27 -47.79 78.21 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 128.628 3.705 . . . . 0.0 116.708 172.538 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 73' ' ' GLU . . . . . . . . . . . . . 66.8 mm-40 -65.3 -36.29 83.63 Favored 'General case' 0 C--O 1.243 0.731 0 CA-C-N 121.088 1.767 . . . . 0.0 112.19 -179.273 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 74' ' ' ILE . . . . . . . . . . . . . 6.1 mt -69.58 -40.84 80.03 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.081 0 C-N-CA 117.499 -1.681 . . . . 0.0 108.309 -179.08 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 75' ' ' ALA . . . . . . . . . . . . . . . -71.94 -27.11 62.58 Favored 'General case' 0 N--CA 1.538 3.943 0 N-CA-C 119.988 3.329 . . . . 0.0 119.988 176.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 76' ' ' GLN . . . . . . . . . . . . . 39.2 tp60 -56.26 -39.4 72.55 Favored 'General case' 0 CA--C 1.576 1.969 0 O-C-N 124.592 1.183 . . . . 0.0 110.864 178.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 77' ' ' ASP . . . . . . . . . . . . . 43.1 m-20 -74.71 -18.0 60.57 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 113.774 -1.557 . . . . 0.0 114.902 -179.294 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 78' ' ' PHE . . . . . . . . . . . . . 88.7 m-85 -99.02 -26.87 14.1 Favored 'General case' 0 CA--C 1.565 1.55 0 N-CA-C 117.122 2.267 . . . . 0.0 117.122 169.19 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 79' ' ' LYS . . . . . . . . . . . . . 53.0 tptt -150.57 114.53 5.04 Favored 'General case' 0 C--O 1.201 -1.461 0 CA-C-O 114.342 -2.742 . . . . 0.0 109.855 168.177 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 80' ' ' THR . . . . . . . . . . . . . 52.0 m -62.56 141.4 58.47 Favored 'General case' 0 N--CA 1.51 2.532 0 O-C-N 126.599 2.437 . . . . 0.0 111.972 169.506 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 81' ' ' ASP . . . . . . . . . . . . . 26.1 t0 56.25 32.7 20.83 Favored 'General case' 0 N--CA 1.426 -1.629 0 C-N-CA 129.275 3.03 . . . . 0.0 112.603 -178.284 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 82' ' ' LEU . . . . . . . . . . . . . 3.2 tp -72.61 143.19 48.29 Favored 'General case' 0 CA--C 1.601 2.928 0 CA-C-N 121.461 1.937 . . . . 0.0 107.261 173.006 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 83' ' ' ARG . . . . . . . . . . . . . 67.7 mtt-85 -98.69 -176.12 3.27 Favored 'General case' 0 CA--C 1.459 -2.544 0 N-CA-C 115.428 1.64 . . . . 0.0 115.428 165.567 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 84' ' ' PHE . . . . . 0.481 ' CZ ' HG12 ' E' ' 71' ' ' VAL . 2.9 m-85 -147.87 153.1 38.69 Favored 'General case' 0 N--CA 1.475 0.817 0 CA-C-O 117.665 -1.16 . . . . 0.0 111.199 163.488 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 85' ' ' GLN . . . . . . . . . . . . . 31.8 mm-40 -66.67 134.13 51.64 Favored 'General case' 0 N--CA 1.406 -2.653 0 CA-C-O 116.263 -1.827 . . . . 0.0 115.615 157.759 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 86' ' ' SER . . . . . . . . . . . . . 78.9 p -45.61 -31.21 1.77 Allowed 'General case' 0 N--CA 1.509 2.505 0 CA-C-N 121.004 1.729 . . . . 0.0 115.295 172.068 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 87' ' ' SER . . . . . . . . . . . . . 4.8 m -66.84 -32.45 73.73 Favored 'General case' 0 C--N 1.394 2.528 0 CA-C-N 112.755 -2.02 . . . . 0.0 115.726 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 88' ' ' ALA . . . . . . . . . . . . . . . -79.97 -44.75 19.68 Favored 'General case' 0 C--O 1.254 1.305 0 C-N-CA 129.4 3.08 . . . . 0.0 112.361 -178.349 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 89' ' ' VAL . . . . . . . . . . . . 0.378 11.4 m -65.32 -37.77 80.92 Favored 'Isoleucine or valine' 0 CA--C 1.485 -1.551 0 CA-C-N 113.661 -1.609 . . . . 0.0 114.531 173.527 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 90' ' ' MET . . . . . . . . . . . . . 16.7 mmm -73.69 -34.79 65.02 Favored 'General case' 0 C--O 1.194 -1.838 0 C-N-CA 116.259 -2.176 . . . . 0.0 111.222 173.723 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 91' ' ' ALA . . . . . . . . . . . . . . . -57.36 -43.18 83.29 Favored 'General case' 0 N--CA 1.421 -1.887 0 CA-C-N 121.994 2.179 . . . . 0.0 115.871 168.685 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 92' ' ' LEU . . . . . . . . . . . . . 29.7 mt -53.62 -42.8 68.1 Favored 'General case' 0 C--N 1.277 -2.585 0 CA-C-O 124.303 2.001 . . . . 0.0 112.583 170.305 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 93' ' ' GLN . . . . . . . . . . . . 0.337 29.3 tt0 -66.11 -48.52 70.61 Favored 'General case' 0 CA--C 1.504 -0.79 0 C-N-CA 129.101 2.961 . . . . 0.0 113.162 -179.353 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 94' ' ' GLU . . . . . . . . . . . . . 69.5 mt-10 -73.51 -29.76 62.68 Favored 'General case' 0 N--CA 1.511 2.596 0 C-N-CA 126.527 1.931 . . . . 0.0 111.17 179.167 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 95' ' ' ALA . . . . . . . . . . . . . . . -67.71 -41.11 84.05 Favored 'General case' 0 N--CA 1.512 2.674 0 O-C-N 118.835 -2.416 . . . . 0.0 110.953 167.254 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 96' ' ' SER . . . . . . . . . . . . . 9.8 m -65.34 -51.49 60.19 Favored 'General case' 0 C--O 1.202 -1.432 0 CA-C-O 117.287 -1.339 . . . . 0.0 112.557 178.428 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 97' ' ' GLU . . . . . . . . . . . . . 69.8 mt-10 -46.38 -44.62 17.22 Favored 'General case' 0 C--N 1.302 -1.496 0 CA-C-O 115.711 -2.09 . . . . 0.0 113.502 167.594 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 98' ' ' ALA . . . . . . . . . . . . . . . -75.23 -38.06 60.79 Favored 'General case' 0 CA--C 1.6 2.881 0 N-CA-C 118.229 2.677 . . . . 0.0 118.229 177.487 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 99' ' ' TYR . . . . . . . . . . . . . 28.5 t80 -66.78 -50.03 63.98 Favored 'General case' 0 C--O 1.186 -2.267 0 O-C-N 126.429 2.331 . . . . 0.0 110.017 169.338 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 100' ' ' LEU . . . . . . . . . . . . . 22.0 mt -66.26 -44.67 83.0 Favored 'General case' 0 N--CA 1.497 1.889 0 CA-C-O 112.671 -3.538 . . . . 0.0 112.522 179.353 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 101' ' ' VAL . . . . . . . . . . . . . 40.6 t -50.65 -44.35 25.35 Favored 'Isoleucine or valine' 0 C--O 1.271 2.184 0 CA-C-N 123.279 2.763 . . . . 0.0 112.726 171.796 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 102' ' ' GLY . . . . . . . . . . . . . . . -64.34 -54.1 31.79 Favored Glycine 1 N--CA 1.389 -4.494 0 CA-C-O 116.799 -2.112 . . . . 0.0 109.78 171.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 103' ' ' LEU . . . . . . . . . . . . . 14.6 tp -58.76 -31.14 68.08 Favored 'General case' 0 N--CA 1.484 1.238 0 N-CA-C 118.828 2.899 . . . . 0.0 118.828 176.152 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 104' ' ' PHE . . . . . . . . . . . . . 35.4 m-85 -66.71 -34.28 77.51 Favored 'General case' 0 N--CA 1.42 -1.926 0 CA-C-N 122.169 2.259 . . . . 0.0 116.721 168.349 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 105' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -66.01 -36.89 84.5 Favored 'General case' 0 C--O 1.263 1.801 0 CA-C-O 114.888 -2.482 . . . . 0.0 107.139 173.409 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 106' ' ' ASP . . . . . . . . . . . . . 79.1 m-20 -68.39 -50.87 49.91 Favored 'General case' 0 C--O 1.185 -2.307 0 O-C-N 126.43 2.331 . . . . 0.0 110.447 171.278 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 107' ' ' THR . . . . . . . . . . . . . 97.2 m -56.18 -46.37 79.39 Favored 'General case' 0 C--N 1.284 -2.241 0 CA-C-O 124.902 2.287 . . . . 0.0 113.696 178.141 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 108' ' ' ASN . . . . . . . . . . . . . 57.6 t30 -62.38 -36.65 82.94 Favored 'General case' 0 C--O 1.201 -1.466 0 CA-C-O 113.25 -3.262 . . . . 0.0 113.426 169.603 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 109' ' ' LEU . . . . . . . . . . . . . 12.3 tp -64.61 -36.16 83.35 Favored 'General case' 0 N--CA 1.488 1.457 0 CA-C-N 124.491 3.314 . . . . 0.0 112.087 169.704 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 110' ' ' CYS . . . . . . . . . . . . . 40.0 t -57.47 -45.66 84.54 Favored 'General case' 0 C--O 1.263 1.781 0 O-C-N 117.373 -3.329 . . . . 0.0 110.182 171.39 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 111' ' ' ALA . . . . . . . . . . . . . . . -62.61 -47.23 84.66 Favored 'General case' 0 C--N 1.288 -2.083 0 CA-C-O 126.623 3.106 . . . . 0.0 112.906 -178.083 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 112' ' ' ILE . . . . . . . . . . . . . 19.3 mt -61.81 -45.82 97.86 Favored 'Isoleucine or valine' 0 N--CA 1.51 2.534 0 CA-C-N 110.545 -3.025 . . . . 0.0 110.548 178.246 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 113' ' ' HIS . . . . . . . . . . . . . 42.5 t60 -64.05 -33.41 75.68 Favored 'General case' 0 CA--C 1.554 1.113 0 O-C-N 127.767 3.167 . . . . 0.0 112.815 174.636 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 114' ' ' ALA . . . . . . . . . . . . . . . -67.98 -16.52 64.09 Favored 'General case' 0 CA--C 1.57 1.737 0 CA-C-O 117.531 -1.223 . . . . 0.0 112.458 175.592 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 115' ' ' LYS . . . . . . . . . . . . . 39.4 mtpt 70.46 42.33 0.9 Allowed 'General case' 0 N--CA 1.491 1.624 0 C-N-CA 128.764 2.826 . . . . 0.0 107.751 -174.323 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 116' ' ' ARG . . . . . . . . . . . . . 41.9 mtm105 -117.18 142.5 46.96 Favored 'General case' 0 C--N 1.389 2.315 0 C-N-CA 126.562 1.945 . . . . 0.0 110.183 162.612 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 117' ' ' VAL . . . . . . . . . . . . . 96.4 t -62.15 -47.86 91.16 Favored 'Isoleucine or valine' 0 C--O 1.251 1.141 0 CA-C-O 123.335 1.541 . . . . 0.0 108.699 156.151 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 118' ' ' THR . . . . . . . . . . . . . 32.7 m -84.46 132.95 34.5 Favored 'General case' 0 CA--C 1.583 2.216 0 O-C-N 117.769 -3.082 . . . . 0.0 107.545 -159.528 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 119' ' ' ILE . . . . . . . . . . . . . 13.2 pt -74.01 142.51 14.73 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.012 0 O-C-N 125.438 1.712 . . . . 0.0 113.787 161.4 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 120' ' ' MET . . . . . . . . . . . . . 73.9 mtm -134.1 168.73 16.4 Favored Pre-proline 0 N--CA 1.496 1.843 0 O-C-N 124.704 1.252 . . . . 0.0 112.686 171.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 121' ' ' PRO . . . . . . . . . . . . . 34.3 Cg_exo -61.13 -27.98 84.9 Favored 'Trans proline' 0 CA--C 1.559 1.742 0 N-CA-C 116.99 1.881 . . . . 0.0 116.99 -173.069 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 122' ' ' LYS . . . . . . . . . . . . . 22.9 ttmt -38.06 -41.91 0.61 Allowed 'General case' 0 N--CA 1.493 1.711 1 N-CA-C 122.211 4.152 . . . . 0.0 122.211 154.772 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 123' ' ' ASP . . . . . . . . . . . . . 91.8 m-20 -78.41 -46.28 20.25 Favored 'General case' 0 CA--C 1.608 3.195 0 C-N-CA 126.834 2.053 . . . . 0.0 108.689 -167.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 124' ' ' ILE . . . . . . . . . . . . . 15.1 tt -70.97 -26.32 27.4 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.843 0 N-CA-C 114.804 1.409 . . . . 0.0 114.804 175.699 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 125' ' ' GLN . . . . . . . . . . . . . 60.3 mm-40 -71.21 -45.95 62.25 Favored 'General case' 0 C--O 1.257 1.485 0 O-C-N 119.27 -2.144 . . . . 0.0 111.178 169.63 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 126' ' ' LEU . . . . . 0.407 HD22 ' HA ' ' D' ' 93' ' ' THR 0.29 51.1 mt -60.82 -38.37 85.19 Favored 'General case' 0 C--N 1.351 0.634 0 CA-C-N 115.223 -0.899 . . . . 0.0 111.261 178.742 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' E' E ' 127' ' ' ALA . . . . . . . . . . . . . . . -63.03 -37.67 88.1 Favored 'General case' 0 N--CA 1.416 -2.159 0 CA-C-O 116.417 -1.754 . . . . 0.0 111.274 169.029 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 128' ' ' ARG . . . . . . . . . . . . . 46.1 ttt-85 -56.42 -45.22 80.81 Favored 'General case' 0 N--CA 1.501 2.115 0 CA-C-N 124.261 3.21 . . . . 0.0 111.441 167.642 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 129' ' ' ARG . . . . . 0.43 ' HE ' ' HB3' ' E' ' 133' ' ' GLU . 36.4 mmm-85 -63.34 -39.84 95.64 Favored 'General case' 0 N--CA 1.441 -0.88 0 CA-C-N 120.197 1.362 . . . . 0.0 108.311 178.489 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 130' ' ' ILE . . . . . . . . . . . . 0.252 4.0 tt -66.75 -30.4 49.55 Favored 'Isoleucine or valine' 0 CA--C 1.587 2.391 0 O-C-N 117.816 -3.052 . . . . 0.0 109.244 -167.903 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 131' ' ' ARG . . . . . . . . . . . . . 62.8 mtp85 -93.23 35.2 1.09 Allowed 'General case' 0 C--N 1.282 -2.357 0 CA-C-O 123.615 1.674 . . . . 0.0 110.919 -178.23 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 132' ' ' GLY . . . . . . . . . . . . . . . 69.09 27.59 73.69 Favored Glycine 0 C--N 1.292 -1.906 0 O-C-N 119.281 -2.137 . . . . 0.0 114.355 174.522 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 133' ' ' GLU . . . . . 0.43 ' HB3' ' HE ' ' E' ' 129' ' ' ARG 0.532 4.8 pm0 36.92 -83.31 0.0 OUTLIER 'General case' 0 N--CA 1.526 3.371 0 N-CA-C 117.103 2.26 . . . . 0.0 117.103 -169.282 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' E' E ' 134' ' ' ARG . . . . . . . . . . . . . 17.7 mmt85 . . . . . 0 C--O 1.285 2.974 0 C-N-CA 127.889 2.476 . . . . 0.0 111.539 -162.119 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' F' F ' 20' ' ' LYS . . . . . . . . . . . . . 28.9 ttpt . . . . . 0 CA--C 1.566 1.563 0 CA-C-O 116.72 -1.61 . . . . 0.0 111.116 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' F' F ' 21' ' ' VAL . . . . . . . . . . . . . 28.9 m -108.75 161.63 7.04 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.173 0 CA-C-N 121.778 2.081 . . . . 0.0 110.642 172.547 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 22' ' ' LEU . . . . . . . . . . . . 0.263 37.9 tp -50.34 -34.88 25.45 Favored 'General case' 0 C--O 1.169 -3.14 0 N-CA-C 116.492 2.034 . . . . 0.0 116.492 -178.066 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 23' ' ' ARG . . . . . . . . . . . . . 16.6 ttt180 -51.78 -30.3 22.45 Favored 'General case' 0 N--CA 1.494 1.731 0 CA-C-O 127.083 3.325 . . . . 0.0 119.313 173.448 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 24' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -64.21 -32.5 74.11 Favored 'General case' 0 C--N 1.295 -1.79 0 C-N-CA 130.705 3.602 . . . . 0.0 111.75 170.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 25' ' ' ASN . . . . . . . . . . . . 0.332 2.4 m120 -106.89 11.94 29.41 Favored 'General case' 0 C--N 1.295 -1.803 1 C-N-CA 132.951 4.5 . . . . 0.0 114.159 -171.775 . . . . . . . . 3 2 . 1 . 001 nuclear build full ' F' F ' 26' ' ' ILE . . . . . . . . . . . . 0.253 60.4 mt -66.82 117.47 7.93 Favored 'Isoleucine or valine' 0 N--CA 1.53 3.54 0 O-C-N 117.634 -3.166 . . . . 0.0 110.728 160.666 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 27' ' ' GLN . . . . . . . . . . . . . 83.3 mm-40 -107.35 143.76 35.19 Favored 'General case' 0 N--CA 1.432 -1.363 0 O-C-N 125.714 1.884 . . . . 0.0 114.798 -176.22 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 28' ' ' GLY . . . . . . . . . . . . . . . -91.84 -15.56 54.08 Favored Glycine 0 N--CA 1.51 3.604 1 CA-C-O 113.303 -4.054 . . . . 0.0 111.213 171.545 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 29' ' ' ILE . . . . . 0.403 HD12 HG12 ' F' ' 34' ' ' ILE . 2.5 pt -150.56 128.67 2.68 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.945 0 CA-C-N 123.839 3.819 . . . . 0.0 109.581 -171.744 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 30' ' ' THR . . . . . . . . . . . . . 66.3 p -78.81 162.99 25.71 Favored 'General case' 0 N--CA 1.532 3.661 0 C-N-CA 125.502 1.521 . . . . 0.0 111.847 177.649 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 31' ' ' LYS . . . . . 0.46 ' HB2' ' HD3' ' F' ' 32' ' ' PRO . 84.0 mttt -58.12 -43.9 98.79 Favored Pre-proline 0 C--N 1.293 -1.862 0 O-C-N 119.404 -2.06 . . . . 0.0 113.179 178.566 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 32' ' ' PRO . . . . . 0.46 ' HD3' ' HB2' ' F' ' 31' ' ' LYS . 18.6 Cg_exo -57.71 -41.06 74.27 Favored 'Trans proline' 0 C--N 1.297 -2.169 0 C-N-CA 124.343 3.362 . . . . 0.0 117.021 171.081 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.96 -39.13 76.2 Favored 'General case' 0 CA--C 1.586 2.365 0 O-C-N 124.692 1.245 . . . . 0.0 111.101 176.097 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 34' ' ' ILE . . . . . 0.403 HG12 HD12 ' F' ' 29' ' ' ILE . 73.7 mt -60.82 -43.07 94.67 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.406 0 N-CA-C 113.191 0.811 . . . . 0.0 113.191 172.012 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 35' ' ' ARG . . . . . . . . . . . . . 3.5 tmt_? -59.39 -32.07 69.82 Favored 'General case' 1 N--CA 1.552 4.664 0 N-CA-C 116.249 1.944 . . . . 0.0 116.249 167.403 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 36' ' ' ARG . . . . . . . . . . . . . 41.7 ttm105 -75.32 -45.1 41.68 Favored 'General case' 0 CA--C 1.576 1.966 0 N-CA-C 106.012 -1.847 . . . . 0.0 106.012 -178.26 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 37' ' ' LEU . . . . . . . . . . . . . 37.1 mt -58.26 -42.86 87.39 Favored 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 126.875 2.07 . . . . 0.0 112.475 175.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 38' ' ' ALA . . . . . . . . . . . . 0.259 . . -59.58 -48.58 81.1 Favored 'General case' 0 C--O 1.249 1.055 0 CA-C-N 110.646 -2.979 . . . . 0.0 112.126 173.248 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 39' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? -55.23 -41.55 72.23 Favored 'General case' 0 C--O 1.206 -1.209 0 C-N-CA 127.44 2.296 . . . . 0.0 112.963 175.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 40' ' ' ARG . . . . . . . . . . . . . 10.0 mmt85 -76.02 -14.21 60.22 Favored 'General case' 0 N--CA 1.508 2.475 0 C-N-CA 127.932 2.493 . . . . 0.0 114.143 174.713 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 41' ' ' GLY . . . . . . . . . . . . . . . -89.47 13.86 62.75 Favored Glycine 0 CA--C 1.559 2.834 0 C-N-CA 127.334 2.397 . . . . 0.0 113.157 160.33 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 42' ' ' GLY . . . . . . . . . . . . . . . 65.73 13.56 59.2 Favored Glycine 0 N--CA 1.481 1.69 0 N-CA-C 120.833 3.093 . . . . 0.0 120.833 177.363 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 43' ' ' VAL . . . . . . . . . . . . . 35.8 t -60.04 138.91 20.34 Favored 'Isoleucine or valine' 0 N--CA 1.523 3.214 0 C-N-CA 125.857 1.663 . . . . 0.0 110.436 176.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 44' ' ' LYS . . . . . . . . . . . . . 89.6 mttt -90.35 -43.31 10.41 Favored 'General case' 0 C--N 1.349 0.56 0 N-CA-C 116.928 2.195 . . . . 0.0 116.928 164.059 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 45' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -138.4 142.93 39.57 Favored 'General case' 0 N--CA 1.519 3.018 0 CA-C-O 115.011 -2.423 . . . . 0.0 115.914 -167.797 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 46' ' ' ILE . . . . . . . . . . . . . 89.2 mt -130.16 126.25 61.36 Favored 'Isoleucine or valine' 0 C--O 1.266 1.93 0 N-CA-C 115.427 1.64 . . . . 0.0 115.427 -171.194 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 47' ' ' SER . . . . . . . . . . . . . 21.3 t -60.12 128.34 36.32 Favored 'General case' 0 N--CA 1.507 2.414 0 O-C-N 118.337 -2.727 . . . . 0.0 111.278 160.047 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 48' ' ' GLY . . . . . . . . . . . . . . . -56.63 -18.12 22.73 Favored Glycine 0 CA--C 1.542 1.726 0 N-CA-C 120.502 2.961 . . . . 0.0 120.502 179.719 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 49' ' ' LEU . . . . . . . . . . . . . 30.7 mt -71.02 -7.22 44.8 Favored 'General case' 0 CA--C 1.582 2.182 0 CA-C-N 111.544 -2.328 . . . . 0.0 116.665 168.162 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 50' ' ' ILE . . . . . . . . . . . . . 9.7 mm -74.34 -26.4 20.44 Favored 'Isoleucine or valine' 0 CA--C 1.477 -1.834 0 O-C-N 118.829 -2.419 . . . . 0.0 110.29 171.666 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 51' ' ' TYR . . . . . . . . . . . . . 43.8 m-85 -68.83 -23.76 64.29 Favored 'General case' 0 C--N 1.307 -1.246 0 O-C-N 118.855 -2.403 . . . . 0.0 115.261 174.203 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 52' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -76.23 -59.29 2.83 Favored 'General case' 0 CA--C 1.572 1.802 0 C-N-CA 127.918 2.487 . . . . 0.0 109.676 163.178 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 53' ' ' GLU . . . . . . . . . . . . . 19.2 tp10 -60.78 -40.83 94.03 Favored 'General case' 0 CA--C 1.57 1.73 0 N-CA-C 120.491 3.515 . . . . 0.0 120.491 -167.16 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 54' ' ' THR . . . . . . . . . . . . . 3.7 m -57.73 -37.9 74.37 Favored 'General case' 0 C--N 1.312 -1.025 0 CA-C-O 124.734 2.207 . . . . 0.0 112.558 170.244 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 55' ' ' ARG . . . . . . . . . . . . . 47.3 mtt180 -69.24 -35.12 75.81 Favored 'General case' 0 N--CA 1.534 3.766 0 O-C-N 116.993 -3.567 . . . . 0.0 110.718 179.601 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 56' ' ' GLY . . . . . . . . . . . . . . . -70.87 -40.5 63.75 Favored Glycine 1 CA--C 1.597 5.186 0 C-N-CA 126.938 2.209 . . . . 0.0 112.985 175.2 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 57' ' ' VAL . . . . . . . . . . . . . 4.3 t -66.23 -35.28 74.61 Favored 'Isoleucine or valine' 0 N--CA 1.419 -1.996 0 N-CA-C 115.355 1.613 . . . . 0.0 115.355 170.414 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 58' ' ' LEU . . . . . . . . . . . . . 29.6 tp -71.69 -34.44 69.65 Favored 'General case' 0 C--O 1.289 3.138 0 C-N-CA 116.387 -2.125 . . . . 0.0 115.006 168.063 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 59' ' ' LYS . . . . . . . . . . . . . 5.3 ttpm? -63.11 -28.82 70.33 Favored 'General case' 0 C--N 1.388 2.244 0 N-CA-C 116.914 2.19 . . . . 0.0 116.914 175.826 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 60' ' ' VAL . . . . . . . . . . . . . 7.3 t -74.63 -42.03 48.28 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.16 0 N-CA-C 118.277 2.695 . . . . 0.0 118.277 164.137 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 61' ' ' PHE . . . . . . . . . . . . . 8.2 t80 -57.2 -48.9 77.61 Favored 'General case' 0 N--CA 1.491 1.607 0 CA-C-O 122.825 1.297 . . . . 0.0 108.268 177.253 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 62' ' ' LEU . . . . . . . . . . . . . 84.6 mt -71.48 -40.72 70.06 Favored 'General case' 0 C--N 1.39 2.365 0 N-CA-C 115.777 1.769 . . . . 0.0 115.777 -175.12 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 63' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -68.56 -28.64 67.14 Favored 'General case' 0 C--O 1.258 1.526 0 CA-C-N 119.158 0.89 . . . . 0.0 112.155 -176.402 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 64' ' ' ASN . . . . . . . . . . . . . 40.2 m-80 -58.84 -59.57 5.22 Favored 'General case' 0 CA--C 1.599 2.837 0 C-N-CA 128.734 2.814 . . . . 0.0 110.228 162.034 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 65' ' ' VAL . . . . . . . . . . . . 0.293 9.7 t -62.33 -44.08 98.79 Favored 'Isoleucine or valine' 1 N--CA 1.54 4.044 0 O-C-N 124.76 1.288 . . . . 0.0 109.525 -174.694 . . . . . . . . 3 2 . 1 . 001 nuclear build full ' F' F ' 66' ' ' ILE . . . . . . . . . . . . . 25.4 mt -62.51 -46.2 96.97 Favored 'Isoleucine or valine' 0 C--O 1.254 1.314 0 C-N-CA 127.569 2.348 . . . . 0.0 111.542 179.258 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 67' ' ' ARG . . . . . . . . . . . . . 25.7 mtm105 -64.04 -23.44 67.33 Favored 'General case' 0 N--CA 1.499 1.991 0 N-CA-C 116.474 2.028 . . . . 0.0 116.474 177.379 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 68' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -81.11 -49.83 10.38 Favored 'General case' 0 C--O 1.204 -1.324 0 O-C-N 118.795 -2.44 . . . . 0.0 107.818 172.704 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 69' ' ' ALA . . . . . . . . . . . . . . . -64.19 -37.4 87.34 Favored 'General case' 0 C--O 1.184 -2.373 0 O-C-N 120.54 -1.35 . . . . 0.0 114.008 -173.252 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 70' ' ' VAL . . . . . . . . . . . . . 24.0 t -68.75 -36.18 73.13 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.699 0 N-CA-C 106.831 -1.544 . . . . 0.0 106.831 174.3 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 71' ' ' THR . . . . . . . . . . . . . 88.8 m -59.05 -44.06 91.77 Favored 'General case' 0 N--CA 1.425 -1.679 0 CA-C-O 115.008 -2.425 . . . . 0.0 114.033 173.564 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 72' ' ' TYR . . . . . . . . . . . . . 17.8 m-85 -68.06 -24.65 65.1 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 121.93 2.15 . . . . 0.0 113.663 173.289 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 73' ' ' THR . . . . . . . . . . . . . 94.1 m -80.3 -41.93 23.99 Favored 'General case' 0 CA--C 1.543 0.708 0 CA-C-O 122.395 1.093 . . . . 0.0 111.729 -175.308 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 74' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -60.13 -42.72 95.43 Favored 'General case' 0 CA--C 1.479 -1.781 0 C-N-CA 126.654 1.982 . . . . 0.0 109.966 172.355 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 75' ' ' HIS . . . . . . . . . . . . . 48.4 t-80 -79.12 -37.12 39.39 Favored 'General case' 0 N--CA 1.411 -2.41 0 CA-C-O 125.416 2.532 . . . . 0.0 112.658 -167.368 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 76' ' ' ALA . . . . . . . . . . . . . . . -69.94 10.55 0.39 Allowed 'General case' 0 C--O 1.275 2.421 0 O-C-N 116.854 -3.654 . . . . 0.0 114.613 158.676 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 77' ' ' LYS . . . . . . . . . . . . . 32.9 mmtm 70.31 13.34 7.59 Favored 'General case' 0 N--CA 1.496 1.836 0 C-N-CA 128.553 2.741 . . . . 0.0 116.522 169.851 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 78' ' ' ARG . . . . . . . . . . . . . 21.3 mtm105 -90.72 149.16 22.15 Favored 'General case' 0 C--N 1.296 -1.735 0 C-N-CA 127.233 2.213 . . . . 0.0 112.99 -173.721 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 79' ' ' LYS . . . . . . . . . . . . . 27.0 ttmt -78.37 -43.29 28.01 Favored 'General case' 0 N--CA 1.503 2.224 1 O-C-N 114.285 -5.259 . . . . 0.0 109.956 158.718 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 80' ' ' THR . . . . . . . . . . . . . 11.1 t -87.89 125.82 34.7 Favored 'General case' 0 N--CA 1.518 2.938 0 CA-C-N 115.166 -0.925 . . . . 0.0 110.836 -170.62 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 81' ' ' VAL . . . . . . . . . . . . . 48.7 t -73.6 129.33 36.32 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.952 1 C-N-CA 132.187 4.195 . . . . 0.0 107.688 174.915 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 82' ' ' THR . . . . . . . . . . . . 0.298 18.2 p -104.73 158.91 16.19 Favored 'General case' 0 C--O 1.26 1.64 0 O-C-N 120.679 -1.263 . . . . 0.0 113.185 -176.456 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 83' ' ' ALA . . . . . . . . . . . . . . . -62.13 -38.52 89.25 Favored 'General case' 0 CA--C 1.488 -1.418 0 CA-C-N 121.082 1.765 . . . . 0.0 111.901 178.15 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 84' ' ' MET . . . . . . . . . . . . . 31.5 ttp -60.31 -28.82 68.43 Favored 'General case' 0 N--CA 1.523 3.192 0 O-C-N 119.989 -1.695 . . . . 0.0 111.926 171.686 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 85' ' ' ASP . . . . . . . . . . . . . 25.7 m-20 -76.23 -29.13 57.43 Favored 'General case' 0 N--CA 1.481 1.075 1 O-C-N 114.861 -4.9 . . . . 0.0 114.367 178.19 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 86' ' ' VAL . . . . . . . . . . . . . 70.3 t -73.05 -51.24 27.23 Favored 'Isoleucine or valine' 0 N--CA 1.519 3.01 0 CA-C-O 114.447 -2.692 . . . . 0.0 111.613 169.036 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 87' ' ' VAL . . . . . . . . . . . . . 24.8 t -65.87 -31.69 54.84 Favored 'Isoleucine or valine' 0 CA--C 1.596 2.725 0 CA-C-O 123.401 1.572 . . . . 0.0 108.744 -179.122 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 88' ' ' TYR . . . . . . . . . . . . . 37.8 t80 -79.56 -22.67 43.51 Favored 'General case' 0 C--N 1.295 -1.782 0 O-C-N 118.443 -2.661 . . . . 0.0 114.094 178.032 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 89' ' ' ALA . . . . . . . . . . . . . . . -75.53 -36.57 60.47 Favored 'General case' 0 CA--C 1.468 -2.197 0 C-N-CA 119.289 -0.964 . . . . 0.0 110.845 164.331 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 90' ' ' LEU . . . . . . . . . . . . . 42.1 tp -65.68 -1.04 2.41 Favored 'General case' 0 N--CA 1.49 1.568 0 CA-C-O 123.762 1.744 . . . . 0.0 114.811 -177.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 91' ' ' LYS . . . . . . . . . . . . . 25.4 pttm -66.44 -25.97 66.99 Favored 'General case' 0 C--N 1.377 1.764 0 O-C-N 119.398 -2.064 . . . . 0.0 113.468 172.202 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 92' ' ' ARG . . . . . . . . . . . . . 58.9 ttm-85 -65.47 -34.88 79.32 Favored 'General case' 0 CA--C 1.51 -0.562 0 C-N-CA 129.119 2.968 . . . . 0.0 113.039 -171.415 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 93' ' ' GLN . . . . . . . . . . . . . 21.5 mp0 -73.08 -7.08 49.71 Favored 'General case' 0 CA--C 1.575 1.937 0 CA-C-O 115.353 -2.261 . . . . 0.0 110.82 -179.211 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 94' ' ' GLY . . . . . . . . . . . . . . . 65.63 -169.43 29.69 Favored Glycine 0 CA--C 1.496 -1.095 0 C-N-CA 127.495 2.474 . . . . 0.0 108.61 -173.583 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 95' ' ' ARG . . . . . . . . . . . . . 81.8 mmt-85 -121.57 146.92 46.47 Favored 'General case' 0 CA--C 1.481 -1.707 0 CA-C-O 127.462 3.506 . . . . 0.0 110.401 158.751 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 96' ' ' THR . . . . . . . . . . . . . 33.6 m -122.08 137.32 54.86 Favored 'General case' 0 C--O 1.208 -1.102 0 O-C-N 116.945 -3.597 . . . . 0.0 106.383 -170.129 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 97' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -139.44 129.34 24.87 Favored 'General case' 0 N--CA 1.523 3.183 0 N-CA-C 101.478 -3.527 . . . . 0.0 101.478 -166.322 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 98' ' ' TYR . . . . . . . . . . . . . 16.7 m-30 -68.19 7.71 0.54 Allowed 'General case' 0 N--CA 1.5 2.071 0 C-N-CA 128.798 2.839 . . . . 0.0 110.592 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 99' ' ' GLY . . . . . . . . . . . . . . . -171.59 179.56 43.25 Favored Glycine 1 C--O 1.3 4.245 0 CA-C-N 121.834 2.106 . . . . 0.0 115.555 -174.854 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 100' ' ' PHE . . . . . . . . . . . . . 31.2 m-85 -78.17 -43.9 27.37 Favored 'General case' 0 C--O 1.202 -1.431 0 CA-C-N 114.107 -1.047 . . . . 0.0 112.482 174.023 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.548 6.115 0 N-CA-C 109.18 -1.568 . . . . 0.0 109.18 -167.163 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 3.0 mmm . . . . . 0 CA--C 1.494 -1.18 0 N-CA-C 107.411 -1.329 . . . . 0.0 107.411 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.8 m 49.14 12.45 0.05 Allowed 'General case' 0 CA--C 1.605 3.082 0 N-CA-C 116.556 2.058 . . . . 0.0 116.556 -172.426 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 11.4 p-10 -94.71 -19.24 20.57 Favored 'General case' 0 N--CA 1.391 -3.401 0 O-C-N 125.493 1.746 . . . . 0.0 109.601 176.674 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 46.8 tt0 -149.33 133.46 17.25 Favored 'General case' 0 C--O 1.198 -1.606 0 CA-C-N 122.779 2.536 . . . . 0.0 110.392 -161.043 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 28.4 mm-40 -89.35 157.61 18.11 Favored 'General case' 0 N--CA 1.524 3.273 0 CA-C-N 110.497 -3.047 . . . . 0.0 111.381 169.663 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 69.1 m-80 -138.77 79.59 1.74 Allowed 'General case' 0 C--N 1.363 1.174 0 N-CA-C 104.586 -2.375 . . . . 0.0 104.586 179.198 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 61.6 mm-40 -113.73 -18.58 11.82 Favored 'General case' 0 N--CA 1.528 3.47 0 C-N-CA 126.24 1.816 . . . . 0.0 113.993 -171.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -74.42 162.86 28.43 Favored 'General case' 0 C--O 1.263 1.776 0 O-C-N 124.803 1.314 . . . . 0.0 111.027 176.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 20.7 tp10 -68.9 -37.1 78.77 Favored 'General case' 0 C--N 1.265 -3.105 0 CA-C-O 124.573 2.13 . . . . 0.0 113.332 -174.074 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 34.4 p-80 -74.94 -20.39 59.7 Favored 'General case' 0 CA--C 1.586 2.35 0 N-CA-C 117.79 2.515 . . . . 0.0 117.79 163.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -87.45 -28.35 22.15 Favored 'General case' 0 C--O 1.27 2.171 0 N-CA-C 106.931 -1.507 . . . . 0.0 106.931 -179.595 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 90.0 mttt -64.54 -48.52 74.75 Favored 'General case' 0 C--O 1.195 -1.777 0 O-C-N 120.295 -1.503 . . . . 0.0 108.46 168.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.03 -45.73 71.67 Favored 'General case' 0 N--CA 1.485 1.325 0 O-C-N 116.715 -3.741 . . . . 0.0 112.354 176.397 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . 0.287 1.3 t80 -60.59 -37.65 82.06 Favored 'General case' 0 C--N 1.359 0.996 0 CA-C-O 115.736 -2.078 . . . . 0.0 114.155 173.864 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 17.1 mt -72.48 -32.1 65.93 Favored 'General case' 0 C--O 1.198 -1.623 0 O-C-N 125.743 1.902 . . . . 0.0 108.718 177.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -65.11 -45.95 90.06 Favored Glycine 0 C--O 1.205 -1.69 0 CA-C-O 117.303 -1.831 . . . . 0.0 110.225 176.173 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 24.6 tp -59.5 -36.11 75.41 Favored 'General case' 0 CA--C 1.484 -1.588 0 N-CA-C 115.532 1.679 . . . . 0.0 115.532 173.699 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -70.92 -17.99 62.67 Favored 'General case' 0 N--CA 1.425 -1.68 0 O-C-N 125.16 1.538 . . . . 0.0 113.225 179.383 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.0 tptm -96.09 -33.95 11.89 Favored 'General case' 0 CA--C 1.579 2.094 0 O-C-N 119.523 -1.986 . . . . 0.0 111.349 169.658 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.8 t -56.82 -35.19 68.5 Favored 'General case' 0 N--CA 1.502 2.164 0 CA-C-O 124.312 2.006 . . . . 0.0 112.831 178.08 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -54.32 -40.61 68.14 Favored 'General case' 0 C--O 1.258 1.55 0 O-C-N 118.245 -2.784 . . . . 0.0 107.638 173.076 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 72.2 mm-40 -74.98 -25.03 58.55 Favored 'General case' 0 CA--C 1.586 2.351 0 CA-C-N 122.805 2.548 . . . . 0.0 116.038 176.543 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -67.14 -37.77 84.37 Favored 'General case' 0 CA--C 1.492 -1.283 0 C-N-CA 125.878 1.671 . . . . 0.0 114.374 163.039 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 71.7 t -64.86 -46.59 91.42 Favored 'Isoleucine or valine' 0 C--N 1.37 1.478 0 O-C-N 119.964 -1.71 . . . . 0.0 111.573 176.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 85.8 m-20 -55.49 -47.66 75.83 Favored 'General case' 0 CA--C 1.606 3.114 0 CA-C-O 126.965 3.269 . . . . 0.0 111.383 177.07 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.86 -31.01 71.72 Favored 'General case' 0 CA--C 1.549 0.906 0 O-C-N 119.664 -1.898 . . . . 0.0 113.016 -177.569 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 7.5 mm -82.19 -27.03 9.11 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.228 0 CA-C-O 114.974 -2.441 . . . . 0.0 116.572 161.598 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -57.55 -31.46 66.13 Favored 'General case' 0 CA--C 1.592 2.585 0 O-C-N 125.3 1.625 . . . . 0.0 111.911 163.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 57.9 ttt-85 -72.45 -52.06 17.51 Favored 'General case' 0 N--CA 1.402 -2.835 0 O-C-N 117.609 -3.182 . . . . 0.0 112.28 170.537 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 44.6 tp10 -52.72 -35.89 56.62 Favored 'General case' 0 C--N 1.3 -1.549 0 CA-C-O 124.473 2.082 . . . . 0.0 113.691 173.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 3.8 t -75.62 -36.11 33.38 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.062 0 O-C-N 117.316 -3.365 . . . . 0.0 111.968 173.622 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -68.78 -32.44 72.18 Favored 'General case' 0 C--O 1.265 1.899 0 C-N-CA 118.912 -1.115 . . . . 0.0 109.036 174.534 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 64.1 mt -63.38 -37.87 88.95 Favored 'General case' 0 CA--C 1.597 2.752 0 C-N-CA 118.739 -1.185 . . . . 0.0 113.015 175.474 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 36.3 t80 -65.23 -38.85 91.69 Favored 'General case' 0 C--O 1.215 -0.721 0 O-C-N 127.317 2.885 . . . . 0.0 112.181 174.076 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 28.7 ttp-105 -63.91 -49.56 72.15 Favored 'General case' 0 C--N 1.392 2.447 0 C-N-CA 128.316 2.646 . . . . 0.0 113.972 -179.515 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 49.9 mt -56.15 -44.31 79.12 Favored 'General case' 0 C--O 1.278 2.558 0 CA-C-N 114.557 -1.201 . . . . 0.0 108.214 173.031 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 48.9 t30 -74.16 -38.73 63.61 Favored 'General case' 0 N--CA 1.507 2.414 0 CA-C-O 115.508 -2.187 . . . . 0.0 109.167 -170.142 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 22.8 mmtm -70.19 -38.83 75.43 Favored 'General case' 0 C--N 1.365 1.275 0 N-CA-C 119.147 3.018 . . . . 0.0 119.147 178.304 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 75.6 mmm -53.82 -49.45 68.36 Favored 'General case' 0 CA--C 1.51 -0.571 0 C-N-CA 128.405 2.682 . . . . 0.0 108.083 163.64 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -47.14 -51.67 39.67 Favored Pre-proline 0 C--N 1.285 -2.2 0 C-N-CA 129.551 3.14 . . . . 0.0 114.972 -169.622 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_endo -68.29 -35.91 17.57 Favored 'Trans proline' 0 C--N 1.307 -1.627 0 N-CA-C 116.646 1.749 . . . . 0.0 116.646 171.644 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 7.8 p -70.66 -28.92 36.02 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.679 0 CA-C-O 113.698 -3.048 . . . . 0.0 112.887 170.774 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . 0.321 23.1 m-85 -51.42 -45.58 62.65 Favored 'General case' 0 CA--C 1.542 0.653 0 O-C-N 125.711 1.882 . . . . 0.0 111.259 166.025 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . 0.263 28.6 tp10 -59.19 -55.73 31.15 Favored 'General case' 0 CA--C 1.569 1.708 0 O-C-N 119.754 -1.841 . . . . 0.0 112.042 172.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 70.6 mttt -58.82 -39.29 80.75 Favored 'General case' 0 CA--C 1.49 -1.358 0 N-CA-C 115.086 1.513 . . . . 0.0 115.086 -178.137 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 45.8 ttp180 -60.75 -59.44 5.38 Favored 'General case' 0 C--N 1.356 0.891 0 C-N-CA 126.849 2.06 . . . . 0.0 108.845 178.461 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 37.7 m-20 -75.08 -17.92 60.38 Favored 'General case' 0 N--CA 1.413 -2.311 0 O-C-N 120.19 -1.569 . . . . 0.0 112.128 -165.276 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -53.96 -43.97 70.33 Favored 'General case' 0 CA--C 1.562 1.413 0 CA-C-O 117.255 -1.355 . . . . 0.0 111.48 164.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.416 ' CE1' ' HA3' ' B' ' 17' ' ' GLY . 64.1 m-85 -77.01 -37.94 54.05 Favored 'General case' 0 N--CA 1.429 -1.524 0 CA-C-N 122.682 2.492 . . . . 0.0 110.926 175.165 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 69.9 mt -53.46 -45.49 58.05 Favored 'Isoleucine or valine' 0 CA--C 1.478 -1.805 0 CA-C-O 116.212 -1.851 . . . . 0.0 110.736 174.484 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 57.1 m-20 -56.18 -17.82 8.4 Favored 'General case' 0 CA--C 1.573 1.828 0 C-N-CA 126.869 2.067 . . . . 0.0 113.442 -179.238 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 70.0 mm-40 -89.03 -27.47 20.82 Favored 'General case' 1 N--CA 1.54 4.052 0 O-C-N 119.049 -2.282 . . . . 0.0 115.221 175.476 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 9.5 mm -71.42 139.86 19.17 Favored 'Isoleucine or valine' 0 C--N 1.4 2.762 0 O-C-N 118.934 -2.354 . . . . 0.0 114.861 -176.102 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . 0.267 . . -77.08 139.18 39.93 Favored 'General case' 0 C--O 1.211 -0.929 0 O-C-N 120.951 -1.093 . . . . 0.0 111.494 177.45 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . 0.311 8.5 mm-40 61.72 3.87 0.96 Allowed 'General case' 0 C--N 1.291 -1.945 0 N-CA-C 118.68 2.845 . . . . 0.0 118.68 170.696 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 24.7 t80 -46.0 -58.86 3.22 Favored 'General case' 0 C--N 1.37 1.464 0 C-N-CA 128.088 2.555 . . . . 0.0 112.948 -167.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 91.8 m95 -68.63 -35.11 76.86 Favored 'General case' 0 CA--C 1.607 3.163 0 O-C-N 120.224 -1.547 . . . . 0.0 112.523 -178.095 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 44.2 tttm -63.58 -33.09 74.84 Favored 'General case' 0 CA--C 1.555 1.144 0 CA-C-N 119.428 1.013 . . . . 0.0 111.156 175.49 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 90.8 mt -69.0 -48.14 71.62 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.492 0 C-N-CA 126.554 1.942 . . . . 0.0 112.491 172.307 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 24.1 t -54.44 -48.95 68.57 Favored 'Isoleucine or valine' 0 N--CA 1.513 2.711 0 C-N-CA 127.36 2.264 . . . . 0.0 106.308 177.108 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 56.0 mt -77.54 -3.14 39.17 Favored 'General case' 0 N--CA 1.538 3.926 0 C-N-CA 129.286 3.034 . . . . 0.0 114.975 177.171 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 61.6 m -93.73 -37.08 11.98 Favored 'General case' 0 CA--C 1.568 1.66 0 O-C-N 119.318 -2.113 . . . . 0.0 112.916 165.733 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 28.4 mm100 -65.73 -28.25 68.91 Favored 'General case' 0 CA--C 1.599 2.85 0 O-C-N 119.344 -2.097 . . . . 0.0 114.242 160.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . 0.292 2.9 t-80 -87.26 75.56 9.31 Favored 'General case' 0 C--O 1.271 2.234 0 CA-C-O 127.465 3.507 . . . . 0.0 115.795 -172.013 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 34.2 m -71.54 -21.68 21.58 Favored 'Isoleucine or valine' 0 N--CA 1.51 2.57 0 O-C-N 118.174 -2.828 . . . . 0.0 114.197 -168.24 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 32.2 m -61.24 -42.23 98.25 Favored 'General case' 0 N--CA 1.498 1.969 0 C-N-CA 117.018 -1.873 . . . . 0.0 114.375 165.615 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -68.03 -41.08 82.67 Favored 'General case' 0 C--O 1.259 1.579 0 CA-C-O 117.324 -1.322 . . . . 0.0 113.037 171.02 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.4 -3.4 1.37 Allowed 'General case' 0 N--CA 1.487 1.424 0 CA-C-O 114.433 -2.699 . . . . 0.0 115.963 169.134 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 53.3 t30 -93.32 -33.79 13.77 Favored 'General case' 0 C--O 1.272 2.276 0 O-C-N 126.503 2.377 . . . . 0.0 116.299 159.348 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 15.9 m-85 -76.22 -33.02 59.22 Favored 'General case' 0 C--O 1.261 1.696 0 O-C-N 117.354 -3.341 . . . . 0.0 110.831 177.517 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 43.5 mm -99.55 130.88 47.92 Favored 'Isoleucine or valine' 0 C--N 1.411 3.243 0 O-C-N 120.778 -1.201 . . . . 0.0 112.068 179.528 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 1.4 ptm180 -91.45 122.43 34.04 Favored 'General case' 0 C--N 1.295 -1.781 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.765 -171.213 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.502 ' HA ' ' CD1' ' A' ' 77' ' ' PHE . . . -51.43 -13.07 0.19 Allowed 'General case' 0 N--CA 1.436 -1.172 0 N-CA-C 119.868 3.284 . . . . 0.0 119.868 -170.847 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 18.4 m -65.19 -30.6 71.52 Favored 'General case' 0 CA--C 1.598 2.819 0 CA-C-O 127.487 3.518 . . . . 0.0 114.018 167.048 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -76.96 -15.27 59.71 Favored 'General case' 0 N--CA 1.521 3.107 0 O-C-N 117.258 -3.401 . . . . 0.0 109.449 176.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.55 ' HA ' HG12 ' A' ' 80' ' ' ILE . 6.4 m-30 -56.97 -37.85 72.17 Favored 'General case' 0 C--O 1.258 1.512 0 N-CA-C 117.267 2.321 . . . . 0.0 117.267 -164.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . 0.265 12.0 ptpt -53.11 -34.35 56.27 Favored 'General case' 0 N--CA 1.427 -1.609 0 N-CA-C 113.52 0.933 . . . . 0.0 113.52 171.233 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 75.7 m-85 -83.58 -46.21 12.65 Favored 'General case' 0 N--CA 1.513 2.719 0 CA-C-O 116.717 -1.611 . . . . 0.0 111.256 179.061 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.55 HG12 ' HA ' ' A' ' 77' ' ' PHE . 3.2 pt -67.55 -20.1 25.97 Favored 'Isoleucine or valine' 0 C--O 1.185 -2.307 0 CA-C-N 121.285 1.857 . . . . 0.0 111.217 177.538 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . 0.294 95.7 m-20 -66.67 -17.23 64.73 Favored 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 118.059 2.614 . . . . 0.0 118.059 170.797 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 11.7 p -77.93 -5.59 51.6 Favored 'General case' 0 C--O 1.262 1.714 0 N-CA-C 114.582 1.327 . . . . 0.0 114.582 166.639 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . 0.256 81.3 mt -54.99 114.62 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.385 2.141 0 O-C-N 120.661 -1.274 . . . . 0.0 108.219 174.588 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . 0.254 42.3 t0 -99.04 -28.38 13.42 Favored 'General case' 0 C--N 1.285 -2.198 0 C-N-CA 130.434 3.494 . . . . 0.0 112.678 169.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 44.5 tttp -145.02 129.48 17.9 Favored 'General case' 0 N--CA 1.49 1.566 0 CA-C-N 123.702 2.955 . . . . 0.0 111.293 -179.519 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 21.3 mt -114.06 136.19 51.35 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.821 0 CA-C-O 127.398 3.475 . . . . 0.0 107.703 161.055 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 73.0 tttt -131.24 157.91 41.98 Favored 'General case' 0 N--CA 1.506 2.35 0 O-C-N 116.739 -3.726 . . . . 0.0 104.825 167.429 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 21.7 t -141.18 139.8 32.79 Favored 'Isoleucine or valine' 0 C--O 1.201 -1.483 0 CA-C-N 111.233 -2.712 . . . . 0.0 106.413 169.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . 0.259 3.5 pt-20 -138.7 142.01 38.95 Favored 'General case' 0 CA--C 1.577 2.006 0 CA-C-O 113.192 -3.29 . . . . 0.0 108.926 -178.855 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 1.8 m-90 -94.89 120.03 34.43 Favored 'General case' 0 C--O 1.262 1.759 1 O-C-N 129.376 4.172 . . . . 0.0 112.62 -178.451 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.438 ' HB3' ' CD1' ' A' ' 98' ' ' TYR . 70.3 mt -69.24 -24.0 63.94 Favored 'General case' 0 CA--C 1.469 -2.155 0 N-CA-C 115.461 1.652 . . . . 0.0 115.461 -160.696 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -59.86 -18.12 41.92 Favored 'General case' 0 N--CA 1.486 1.329 0 O-C-N 118.315 -2.74 . . . . 0.0 115.003 -178.353 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 44.7 mt -82.25 -28.35 31.93 Favored 'General case' 0 N--CA 1.422 -1.838 0 O-C-N 126.778 2.549 . . . . 0.0 116.543 176.566 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -78.29 -25.42 46.64 Favored 'General case' 0 C--O 1.246 0.882 0 O-C-N 126.719 2.512 . . . . 0.0 112.423 174.613 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 9.3 t -169.08 159.61 9.28 Favored 'General case' 0 CA--C 1.549 0.931 0 O-C-N 124.594 1.184 . . . . 0.0 111.974 -174.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 67.6 mm-40 -67.79 -22.05 65.2 Favored 'General case' 0 N--CA 1.44 -0.932 0 C-N-CA 127.599 2.36 . . . . 0.0 115.606 166.395 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 6.4 ttt -61.18 -22.25 64.56 Favored 'General case' 0 CA--C 1.501 -0.913 0 O-C-N 124.934 1.396 . . . . 0.0 114.321 -178.418 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.438 ' CD1' ' HB3' ' A' ' 91' ' ' LEU . 69.0 m-85 -107.15 165.29 11.47 Favored 'General case' 0 C--O 1.267 2.003 0 C-N-CA 128.603 2.761 . . . . 0.0 110.901 175.586 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -101.25 165.16 11.43 Favored 'General case' 0 C--N 1.369 1.449 0 O-C-N 116.315 -3.991 . . . . 0.0 112.221 166.573 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 25.0 p -62.46 -16.96 58.24 Favored 'General case' 0 C--O 1.254 1.304 0 N-CA-C 113.878 1.066 . . . . 0.0 113.878 174.61 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 10.2 mmp_? -62.59 -23.87 67.26 Favored 'General case' 0 N--CA 1.52 3.04 0 O-C-N 117.572 -3.205 . . . . 0.0 112.06 165.156 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 61.8 m-20 -101.0 146.55 27.27 Favored 'General case' 0 C--N 1.37 1.493 0 C-N-CA 115.861 -2.336 . . . . 0.0 112.363 -160.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 50.3 p90 -142.74 155.0 44.79 Favored 'General case' 0 CA--C 1.57 1.715 0 O-C-N 117.659 -3.15 . . . . 0.0 110.981 -162.544 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 41.5 t -133.67 131.07 39.08 Favored 'General case' 0 N--CA 1.5 2.031 0 O-C-N 120.112 -1.618 . . . . 0.0 108.927 169.57 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 14.3 mt -94.35 137.27 23.42 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.343 0 N-CA-C 106.765 -1.568 . . . . 0.0 106.765 -172.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 87.1 m -123.58 139.95 53.48 Favored 'General case' 0 C--O 1.204 -1.293 0 C-N-CA 125.163 1.385 . . . . 0.0 113.742 170.1 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -127.36 143.28 51.24 Favored 'General case' 0 CA--C 1.466 -2.265 0 C-N-CA 126.778 2.031 . . . . 0.0 114.789 169.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 84.0 t60 -115.41 141.17 48.4 Favored 'General case' 0 N--CA 1.524 3.248 0 O-C-N 120.151 -1.593 . . . . 0.0 108.181 154.495 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 33.5 m-85 -120.9 120.71 36.28 Favored 'General case' 0 N--CA 1.426 -1.648 0 C-N-CA 130.039 3.336 . . . . 0.0 111.873 177.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . 0.29 27.4 t60 -65.69 -17.53 64.67 Favored 'General case' 0 C--O 1.253 1.237 0 O-C-N 128.345 3.528 . . . . 0.0 113.303 179.678 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 72.17 172.93 19.45 Favored Glycine 0 C--O 1.185 -2.919 0 CA-C-O 126.839 3.466 . . . . 0.0 117.418 178.422 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 32.9 mt -130.73 118.97 44.25 Favored 'Isoleucine or valine' 0 C--N 1.382 1.98 0 O-C-N 116.832 -3.746 . . . . 0.0 106.984 175.147 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -54.97 122.11 10.17 Favored 'General case' 0 N--CA 1.487 1.416 0 CA-C-O 122.748 1.261 . . . . 0.0 108.926 -179.142 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 96.71 2.25 59.91 Favored Glycine 0 CA--C 1.564 3.117 1 CA-C-O 110.583 -5.565 . . . . 0.0 115.144 176.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . 0.429 ' O ' ' HA ' ' A' ' 149' ' ' PRO . 20.2 t0 -148.81 -39.3 0.16 Allowed 'General case' 0 C--O 1.191 -1.997 0 CA-C-N 122.594 3.197 . . . . 0.0 112.575 -177.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.403 ' CE1' ' NE2' ' A' ' 119' ' ' GLN . 61.4 t80 -137.17 126.74 25.21 Favored 'General case' 0 CA--C 1.569 1.687 0 O-C-N 120.446 -1.409 . . . . 0.0 108.686 -168.738 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 27.4 mtpp -70.18 139.46 52.36 Favored 'General case' 0 CA--C 1.579 2.068 0 CA-C-O 124.418 2.056 . . . . 0.0 111.408 -179.725 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -60.64 124.4 20.29 Favored 'General case' 1 N--CA 1.572 5.638 0 O-C-N 119.92 -1.738 . . . . 0.0 110.172 160.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . 0.403 ' NE2' ' CE1' ' A' ' 116' ' ' PHE . 9.8 pt20 -165.54 137.48 4.08 Favored 'General case' 0 N--CA 1.449 -0.524 0 N-CA-C 120.043 3.349 . . . . 0.0 120.043 -170.719 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' GLN . . . . . . . . . . . . . 25.2 tt0 -100.18 141.75 32.58 Favored 'General case' 0 N--CA 1.535 3.779 0 O-C-N 126.828 2.58 . . . . 0.0 107.624 177.432 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 24.0 t -151.54 125.63 1.41 Allowed 'Isoleucine or valine' 0 N--CA 1.417 -2.098 0 C-N-CA 125.143 1.377 . . . . 0.0 110.609 -173.162 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 53.1 m -111.57 133.97 53.48 Favored 'General case' 0 C--O 1.275 2.444 0 C-N-CA 128.466 2.706 . . . . 0.0 112.107 176.392 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . 0.469 ' HE2' ' O ' ' A' ' 182' ' ' TRP . 64.9 tttp -134.26 118.62 17.76 Favored 'General case' 0 C--N 1.371 1.54 0 O-C-N 117.066 -3.522 . . . . 0.0 108.764 -174.036 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 17.4 t -74.6 138.76 20.41 Favored 'Isoleucine or valine' 0 C--N 1.382 1.996 0 CA-C-O 126.007 2.813 . . . . 0.0 112.327 177.75 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 76.7 m-85 -134.88 158.75 43.44 Favored 'General case' 0 N--CA 1.483 1.216 0 O-C-N 116.831 -3.668 . . . . 0.0 109.672 171.706 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -155.9 129.75 8.55 Favored 'General case' 0 C--N 1.365 1.256 0 C-N-CA 131.573 3.949 . . . . 0.0 112.566 -166.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 21.3 mt -93.24 149.68 4.17 Favored 'Isoleucine or valine' 0 C--O 1.248 0.991 0 CA-C-N 120.769 1.622 . . . . 0.0 113.078 169.695 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 50.3 mmtt -90.59 -176.84 4.86 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 116.786 -3.696 . . . . 0.0 113.599 -179.056 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 59.6 tttt 61.14 71.46 0.56 Allowed 'General case' 0 C--N 1.305 -1.366 0 CA-C-O 124.209 1.956 . . . . 0.0 114.79 172.527 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -70.62 178.87 31.19 Favored Glycine 0 C--O 1.269 2.286 0 O-C-N 119.379 -2.076 . . . . 0.0 114.065 165.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . 0.333 55.1 mttm -59.91 138.56 57.79 Favored 'General case' 0 C--N 1.296 -1.723 0 C-N-CA 127.553 2.341 . . . . 0.0 110.345 177.3 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 66.32 -2.94 0.9 Allowed 'General case' 0 CA--C 1.574 1.903 0 O-C-N 126.57 2.419 . . . . 0.0 115.698 -166.427 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 69.9 m-20 -81.88 154.11 26.01 Favored 'General case' 1 N--CA 1.541 4.096 0 O-C-N 118.589 -2.569 . . . . 0.0 115.3 179.689 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 87.4 mm-40 -118.71 0.61 11.5 Favored 'General case' 0 C--O 1.254 1.316 0 C-N-CA 128.782 2.833 . . . . 0.0 114.725 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -69.17 172.48 6.82 Favored 'General case' 0 C--N 1.361 1.096 0 O-C-N 119.947 -1.721 . . . . 0.0 113.732 169.001 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 77.4 m-20 -78.2 135.14 37.55 Favored 'General case' 0 N--CA 1.488 1.47 0 N-CA-C 113.358 0.873 . . . . 0.0 113.358 170.52 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -73.97 37.77 0.93 Allowed Glycine 0 N--CA 1.493 2.499 0 C-N-CA 127.771 2.605 . . . . 0.0 119.165 176.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' ILE . . . . . . . . . . . . . 16.3 pt -64.17 152.38 8.38 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 O-C-N 127.579 2.576 . . . . 0.0 114.56 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 26.1 tp -92.93 137.64 32.18 Favored 'General case' 0 C--O 1.26 1.656 0 CA-C-O 115.276 -2.297 . . . . 0.0 115.575 164.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' THR . . . . . . . . . . . . . 43.4 p -149.44 158.08 43.86 Favored 'General case' 0 C--N 1.368 1.392 0 O-C-N 125.741 1.901 . . . . 0.0 106.167 -160.231 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 46.8 t -149.93 154.73 38.76 Favored 'General case' 0 CA--C 1.564 1.517 0 C-N-CA 124.888 1.275 . . . . 0.0 109.495 -170.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 47.9 mm-40 -82.82 144.81 48.87 Favored Pre-proline 0 N--CA 1.485 1.307 0 O-C-N 123.884 0.74 . . . . 0.0 110.366 165.446 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -76.4 145.42 26.82 Favored 'Trans proline' 0 CA--C 1.57 2.323 1 C-N-CA 125.582 4.188 . . . . 0.0 105.407 -177.748 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 43.7 t -142.77 134.25 12.94 Favored Pre-proline 0 C--O 1.258 1.548 0 CA-C-N 121.376 1.898 . . . . 0.0 110.17 -174.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -61.19 154.2 59.47 Favored 'Trans proline' 0 C--N 1.37 1.689 0 O-C-N 113.567 -3.965 . . . . 0.0 110.382 -171.627 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 15.1 tt -157.5 140.21 6.24 Favored 'Isoleucine or valine' 0 CA--C 1.568 1.664 0 O-C-N 120.29 -1.506 . . . . 0.0 112.357 167.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 41.8 mm-40 -77.27 101.99 6.5 Favored 'General case' 0 C--N 1.393 2.497 0 CA-C-O 115.582 -2.151 . . . . 0.0 110.042 -173.036 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 148' ' ' TRP . . . . . . . . . . . . . 11.4 m0 -74.53 150.36 86.83 Favored Pre-proline 0 N--CA 1.437 -1.113 0 CA-C-N 125.84 3.927 . . . . 0.0 112.406 -174.53 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 149' ' ' PRO . . . . . 0.429 ' HA ' ' O ' ' A' ' 115' ' ' ASP . 11.0 Cg_endo -52.48 139.61 55.77 Favored 'Trans proline' 0 C--O 1.268 2.016 0 C-N-CA 125.23 3.954 . . . . 0.0 108.41 175.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -65.27 -21.76 66.77 Favored 'General case' 0 C--N 1.4 2.786 0 N-CA-C 117.392 2.367 . . . . 0.0 117.392 178.476 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 56.2 p -81.96 -3.52 54.54 Favored 'General case' 0 N--CA 1.504 2.254 0 C-N-CA 125.192 1.397 . . . . 0.0 111.758 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 152' ' ' TYR . . . . . . . . . . . . . 4.1 m-30 -92.9 1.4 57.31 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 117.645 -3.159 . . . . 0.0 112.438 173.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 36.7 p-10 -70.09 -12.18 61.42 Favored 'General case' 0 N--CA 1.507 2.396 0 O-C-N 117.821 -3.049 . . . . 0.0 113.818 -162.49 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 88.0 p -73.6 -19.89 60.75 Favored 'General case' 0 N--CA 1.439 -0.997 0 C-N-CA 128.341 2.656 . . . . 0.0 116.372 164.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 14.1 pt -120.77 -23.6 3.13 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.251 0 O-C-N 117.311 -3.368 . . . . 0.0 110.953 174.098 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 156' ' ' ASN . . . . . . . . . . . . . 62.9 t-20 -52.04 113.86 4.71 Favored Pre-proline 0 CA--C 1.613 3.398 0 CA-C-N 121.712 2.051 . . . . 0.0 114.38 173.171 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 157' ' ' PRO . . . . . . . . . . . . 0.279 24.6 Cg_exo -46.46 -32.24 10.92 Favored 'Trans proline' 0 C--N 1.362 1.238 0 C-N-CA 122.49 2.127 . . . . 0.0 116.84 174.552 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 158' ' ' ASP . . . . . . . . . . . . 0.302 40.3 m-20 -73.64 -24.06 59.96 Favored 'General case' 0 CA--C 1.569 1.69 0 CA-C-O 124.102 1.906 . . . . 0.0 115.433 178.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 69.7 mt -121.3 -9.54 9.06 Favored 'General case' 0 C--N 1.272 -2.775 0 N-CA-C 118.338 2.718 . . . . 0.0 118.338 -173.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 160' ' ' ILE . . . . . . . . . . . . 0.356 5.8 pt -69.15 132.15 33.31 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.714 0 CA-C-O 115.282 -2.294 . . . . 0.0 114.981 163.239 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 41.9 pttt -73.21 -8.06 54.14 Favored 'General case' 0 C--O 1.2 -1.532 0 O-C-N 128.119 3.387 . . . . 0.0 111.063 -168.566 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 162' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -163.9 141.9 7.35 Favored 'General case' 0 C--O 1.27 2.139 0 CA-C-O 122.462 1.125 . . . . 0.0 111.181 -171.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 9.9 mptt -114.89 -5.26 12.58 Favored 'General case' 0 CA--C 1.588 2.427 0 CA-C-O 115.924 -1.988 . . . . 0.0 107.881 -179.582 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 164' ' ' ARG . . . . . 0.534 ' O ' ' HE3' ' A' ' 169' ' ' LYS 0.554 9.7 ptp85 -100.22 -25.72 14.17 Favored 'General case' 0 N--CA 1.496 1.871 0 CA-C-O 114.186 -2.816 . . . . 0.0 115.053 -163.874 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 50.6 p -67.1 165.81 24.67 Favored Pre-proline 0 C--O 1.193 -1.887 0 CA-C-O 114.083 -2.865 . . . . 0.0 110.952 173.19 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 166' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_exo -56.62 -42.98 59.46 Favored 'Trans proline' 0 CA--C 1.568 2.194 0 CA-C-N 121.721 1.65 . . . . 0.0 115.913 171.181 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -56.45 -48.16 77.63 Favored 'General case' 0 C--N 1.297 -1.678 0 C-N-CA 127.627 2.371 . . . . 0.0 111.155 170.484 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 168' ' ' GLY . . . . . . . . . . . . . . . -67.3 -28.32 73.66 Favored Glycine 0 N--CA 1.501 2.997 0 CA-C-O 118.848 -0.973 . . . . 0.0 112.183 -179.601 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 169' ' ' LYS . . . . . 0.534 ' HE3' ' O ' ' A' ' 164' ' ' ARG . 74.9 mttt -68.97 -30.29 68.68 Favored 'General case' 0 C--O 1.255 1.368 0 C-N-CA 126.612 1.965 . . . . 0.0 112.06 171.04 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 50.5 mttm -83.86 -48.25 10.24 Favored 'General case' 0 CA--C 1.496 -1.104 0 O-C-N 125.529 1.768 . . . . 0.0 109.158 -179.023 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 171' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -53.04 -45.68 68.14 Favored 'General case' 0 N--CA 1.418 -2.045 0 CA-C-O 116.612 -1.661 . . . . 0.0 113.954 167.41 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 172' ' ' TYR . . . . . . . . . . . . . 43.6 t80 -60.44 -47.58 85.49 Favored 'General case' 0 C--O 1.183 -2.416 0 CA-C-O 116.682 -1.628 . . . . 0.0 114.764 169.755 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 86.4 mtm-85 -56.85 -44.1 81.8 Favored 'General case' 0 C--N 1.36 1.026 0 C-N-CA 128.601 2.76 . . . . 0.0 115.842 175.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 174' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 -72.93 -39.54 66.18 Favored 'General case' 0 C--O 1.174 -2.916 0 O-C-N 125.741 1.901 . . . . 0.0 106.253 178.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -60.95 -51.7 56.93 Favored Glycine 0 CA--C 1.555 2.544 0 N-CA-C 107.556 -2.218 . . . . 0.0 107.556 174.327 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 176' ' ' MET . . . . . . . . . . . . . 10.4 ptt? -72.95 -3.45 25.98 Favored 'General case' 0 N--CA 1.493 1.679 0 N-CA-C 115.612 1.708 . . . . 0.0 115.612 -172.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 177' ' ' LYS . . . . . 0.599 ' HE3' ' HG2' ' C' ' 378' ' ' GLU 0.4 40.5 tttm -87.8 -8.38 56.01 Favored 'General case' 0 CA--C 1.553 1.078 0 C-N-CA 128.79 2.836 . . . . 0.0 111.179 177.07 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 178' ' ' THR . . . . . . . . . . . . . 35.0 p -90.15 154.14 19.99 Favored 'General case' 0 CA--C 1.572 1.791 0 O-C-N 118.481 -2.637 . . . . 0.0 113.275 -172.448 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 179' ' ' ILE . . . . . . . . . . . . . 8.2 tp -44.28 -33.25 0.87 Allowed 'Isoleucine or valine' 0 C--O 1.265 1.888 0 O-C-N 127.788 3.18 . . . . 0.0 114.893 171.439 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 180' ' ' PHE . . . . . . . . . . . . 0.254 1.7 m-85 -83.91 -22.29 31.61 Favored 'General case' 0 N--CA 1.408 -2.525 0 O-C-N 118.113 -2.867 . . . . 0.0 110.843 -177.048 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 181' ' ' GLY . . . . . . . . . . . . . . . -62.68 -39.22 97.65 Favored Glycine 0 C--O 1.208 -1.509 0 C-N-CA 127.898 2.666 . . . . 0.0 116.292 167.144 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 182' ' ' TRP . . . . . 0.469 ' O ' ' HE2' ' A' ' 123' ' ' LYS . 27.0 t90 -65.64 -23.2 66.75 Favored 'General case' 0 CA--C 1.588 2.428 0 CA-C-O 115.976 -1.964 . . . . 0.0 110.851 175.739 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 183' ' ' PHE . . . . . . . . . . . . . 16.2 m-85 -78.07 -24.37 47.71 Favored 'General case' 0 C--O 1.201 -1.452 0 CA-C-O 123.993 1.854 . . . . 0.0 109.789 -179.152 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 184' ' ' ARG . . . . . . . . . . . . . 20.2 tpp85 -81.45 -25.72 35.87 Favored 'General case' 0 N--CA 1.524 3.236 2 O-C-N 115.458 -4.526 . . . . 0.0 112.473 168.552 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 185' ' ' TRP . . . . . . . . . . . . . 60.6 t90 -55.42 149.32 13.5 Favored 'General case' 0 N--CA 1.417 -2.102 0 N-CA-C 115.756 1.761 . . . . 0.0 115.756 176.088 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 186' ' ' THR . . . . . . . . . . . . . 24.7 p -147.47 -7.0 0.46 Allowed 'General case' 0 C--N 1.287 -2.123 0 O-C-N 119.425 -2.047 . . . . 0.0 113.621 -170.303 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . 85.15 15.36 67.1 Favored Glycine 0 N--CA 1.486 2.01 0 CA-C-N 120.258 1.39 . . . . 0.0 115.757 177.185 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 96.0 mt -131.67 7.23 4.44 Favored 'General case' 0 CA--C 1.564 1.493 0 N-CA-C 116.376 1.991 . . . . 0.0 116.376 -170.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . 38.7 mtmt -140.43 66.58 29.71 Favored Pre-proline 0 CA--C 1.489 -1.396 0 CA-C-O 115.004 -2.427 . . . . 0.0 111.01 -167.576 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 190' ' ' PRO . . . . . . . . . . . . . 76.8 Cg_exo -65.4 130.71 25.98 Favored 'Trans proline' 0 C--N 1.372 1.8 0 O-C-N 125.577 2.356 . . . . 0.0 114.255 -173.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 191' ' ' GLY . . . . . . . . . . . . . . . 82.6 4.01 90.28 Favored Glycine 0 CA--C 1.555 2.594 0 CA-C-O 115.453 -2.86 . . . . 0.0 115.571 -174.529 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 192' ' ' LYS . . . . . . . . . . . . . 46.3 mttp -126.13 2.35 7.18 Favored 'General case' 0 N--CA 1.499 1.984 0 C-N-CA 126.738 2.015 . . . . 0.0 111.203 173.121 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 193' ' ' GLU . . . . . . . . . . . . . 23.9 pt-20 -144.61 166.9 23.86 Favored 'General case' 0 C--O 1.267 2.013 0 N-CA-C 115.821 1.786 . . . . 0.0 115.821 176.455 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 194' ' ' PHE . . . . . . . . . . . . . 51.0 t80 -46.24 113.22 2.07 Favored Pre-proline 0 N--CA 1.492 1.665 0 C-N-CA 128.041 2.537 . . . . 0.0 114.413 -165.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 195' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo -61.2 139.94 86.31 Favored 'Trans proline' 0 N--CA 1.434 -1.975 0 N-CA-C 115.481 1.3 . . . . 0.0 115.481 -176.118 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 196' ' ' HIS . . . . . . . . . . . . . 17.8 m-70 66.55 23.03 10.48 Favored 'General case' 0 CA--C 1.559 1.306 0 C-N-CA 125.296 1.439 . . . . 0.0 112.522 179.476 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 197' ' ' GLY . . . . . . . . . . . . . . . -66.26 -17.83 66.54 Favored Glycine 0 C--N 1.383 3.148 0 CA-C-O 114.637 -3.313 . . . . 0.0 111.337 179.021 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 198' ' ' ASP . . . . . . . . . . . . . 26.5 p-10 -74.03 -46.21 44.82 Favored 'General case' 0 N--CA 1.517 2.911 0 CA-C-O 113.385 -3.198 . . . . 0.0 115.173 162.481 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 199' ' ' SER . . . . . . . . . . . . . 74.0 m -69.61 -39.18 77.38 Favored 'General case' 0 C--N 1.299 -1.606 0 CA-C-N 122.673 2.488 . . . . 0.0 109.354 -177.642 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 200' ' ' LEU . . . . . . . . . . . . . 40.9 tp -54.25 -50.51 67.04 Favored 'General case' 0 CA--C 1.49 -1.353 0 C-N-CA 123.677 0.791 . . . . 0.0 112.416 169.519 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 201' ' ' ALA . . . . . . . . . . . . . . . -66.6 -31.27 71.86 Favored 'General case' 0 CA--C 1.506 -0.724 0 C-N-CA 124.745 1.218 . . . . 0.0 112.302 -175.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 202' ' ' SER . . . . . . . . . . . . . 14.3 m -72.4 -38.15 68.5 Favored 'General case' 0 C--N 1.385 2.137 0 N-CA-C 118.021 2.6 . . . . 0.0 118.021 166.706 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 203' ' ' LEU . . . . . . . . . . . . . 96.5 mt -56.59 -47.97 78.43 Favored 'General case' 0 C--O 1.256 1.422 0 CA-C-N 120.532 1.514 . . . . 0.0 111.11 173.052 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 204' ' ' PHE . . . . . . . . . . . . . 17.1 m-85 -56.4 -54.71 42.38 Favored 'General case' 0 N--CA 1.498 1.952 0 CA-C-O 118.837 -0.601 . . . . 0.0 110.073 179.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 205' ' ' SER . . . . . . . . . . . . . 8.8 p -84.0 -19.19 34.94 Favored 'General case' 0 C--N 1.368 1.41 0 CA-C-O 115.931 -1.985 . . . . 0.0 114.804 -168.676 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 206' ' ' GLU . . . . . . . . . . . . . 59.0 mm-40 -107.16 -16.84 14.32 Favored 'General case' 0 C--N 1.363 1.176 0 N-CA-C 117.504 2.409 . . . . 0.0 117.504 170.006 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 207' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -127.11 -69.79 0.74 Allowed 'General case' 0 N--CA 1.527 3.412 0 CA-C-N 121.668 2.031 . . . . 0.0 114.973 177.693 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 208' ' ' ILE . . . . . . . . . . . . . 65.5 mt -56.1 -42.17 71.51 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.232 0 CA-C-O 125.95 2.786 . . . . 0.0 113.987 -163.488 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 209' ' ' TYR . . . . . 0.412 ' HB3' ' HD3' ' A' ' 210' ' ' PRO . 85.3 t80 -92.98 -44.98 0.32 Allowed Pre-proline 0 CA--C 1.564 1.506 0 N-CA-C 117.3 2.333 . . . . 0.0 117.3 -177.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 210' ' ' PRO . . . . . 0.412 ' HD3' ' HB3' ' A' ' 209' ' ' TYR . 35.9 Cg_exo -62.68 -33.34 77.43 Favored 'Trans proline' 0 N--CA 1.433 -2.051 0 O-C-N 124.505 1.792 . . . . 0.0 112.58 173.105 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 211' ' ' PHE . . . . . . . . . . . . . 45.0 m-85 -116.26 31.27 6.83 Favored 'General case' 0 CA--C 1.558 1.288 0 CA-C-N 121.56 1.982 . . . . 0.0 113.797 178.416 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 212' ' ' CYS . . . . . . . . . . . . . 13.0 p -44.54 -42.19 7.05 Favored 'General case' 0 CA--C 1.557 1.214 0 O-C-N 116.737 -3.727 . . . . 0.0 111.487 173.026 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 213' ' ' VAL . . . . . . . . . . . . 0.323 18.6 t -67.78 -50.7 57.73 Favored 'Isoleucine or valine' 0 C--O 1.275 2.442 0 CA-C-O 115.453 -2.213 . . . . 0.0 111.905 178.714 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 214' ' ' LYS . . . . . . . . . . . . . 73.2 tttt -46.84 -47.33 21.19 Favored 'General case' 0 C--O 1.271 2.196 0 C-N-CA 127.639 2.376 . . . . 0.0 109.452 176.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 215' ' ' TYR . . . . . . . . . . . . . 62.5 m-85 -77.91 -28.96 49.86 Favored 'General case' 0 N--CA 1.537 3.88 0 CA-C-N 120.424 1.465 . . . . 0.0 111.237 178.147 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 216' ' ' TYR . . . . . . . . . . . . . 83.3 t80 -65.29 -41.11 94.45 Favored 'General case' 0 CA--C 1.556 1.174 0 CA-C-N 121.649 2.022 . . . . 0.0 110.268 175.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 217' ' ' ALA . . . . . . . . . . . . . . . -70.61 -18.92 62.87 Favored 'General case' 0 N--CA 1.399 -2.979 0 C-N-CA 128.729 2.812 . . . . 0.0 112.206 -174.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 218' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -77.35 -31.16 54.24 Favored 'General case' 0 CA--C 1.596 2.74 0 C-N-CA 127.908 2.483 . . . . 0.0 110.619 174.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 219' ' ' ALA . . . . . . . . . . . . . . . -78.76 -25.5 44.48 Favored 'General case' 0 N--CA 1.53 3.531 0 N-CA-C 107.255 -1.387 . . . . 0.0 107.255 175.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 220' ' ' GLN . . . . . . . . . . . . . 25.3 mm-40 -76.82 113.36 14.41 Favored 'General case' 0 N--CA 1.494 1.74 0 CA-C-N 120.573 1.533 . . . . 0.0 111.649 -176.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 221' ' ' ARG . . . . . . . . . . . . . 55.6 mmt-85 -150.34 152.6 34.68 Favored 'General case' 0 CA--C 1.587 2.388 0 N-CA-C 115.29 1.589 . . . . 0.0 115.29 -175.153 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 222' ' ' ASP . . . . . . . . . . . . . 81.9 m-20 -95.63 -6.07 40.99 Favored 'General case' 0 N--CA 1.44 -0.964 0 O-C-N 127.773 3.17 . . . . 0.0 114.211 171.082 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 223' ' ' LEU . . . . . . . . . . . . . 81.9 mt -124.92 131.88 53.37 Favored 'General case' 0 N--CA 1.506 2.337 0 N-CA-C 108.035 -1.098 . . . . 0.0 108.035 -163.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 224' ' ' GLU . . . . . . . . . . . . . 21.0 pt-20 -65.77 12.24 0.06 Allowed 'General case' 0 N--CA 1.439 -1.018 0 C-N-CA 128.377 2.671 . . . . 0.0 116.999 178.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 225' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -145.44 17.76 1.51 Allowed 'General case' 0 CA--C 1.575 1.916 0 N-CA-C 117.091 2.256 . . . . 0.0 117.091 -174.394 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 226' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -146.3 22.16 1.35 Allowed 'General case' 0 C--O 1.185 -2.294 0 C-N-CA 126.18 1.792 . . . . 0.0 114.639 -179.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 227' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -104.92 85.13 2.24 Favored 'General case' 0 CA--C 1.57 1.741 0 C-N-CA 130.141 3.376 . . . . 0.0 109.945 -176.233 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 228' ' ' GLY . . . . . . . . . . . . . . . -121.28 135.24 10.51 Favored Glycine 0 C--N 1.363 2.032 0 C-N-CA 129.127 3.251 . . . . 0.0 117.503 -3.467 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 229' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -154.79 160.74 41.48 Favored 'General case' 0 CA--C 1.614 3.434 0 O-C-N 120.178 -1.778 . . . . 0.0 107.602 174.445 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 230' ' ' SER . . . . . . . . . . . . . 79.1 p -157.59 5.0 0.13 Allowed 'General case' 0 C--O 1.274 2.379 0 CA-C-O 116.193 -1.86 . . . . 0.0 113.298 -162.731 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 231' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.546 2.03 0 C-N-CA 119.099 -1.524 . . . . 0.0 109.948 178.345 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 . . . . . 0 C--O 1.248 0.996 0 CA-C-O 125.025 2.345 . . . . 0.0 113.141 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 4.7 mp0 -84.42 142.42 30.13 Favored 'General case' 0 CA--C 1.551 0.999 0 O-C-N 118.812 -2.43 . . . . 0.0 109.519 -177.572 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' HIS . . . . . . . . . . . . . 50.9 m170 -53.52 -42.21 67.16 Favored 'General case' 0 C--O 1.163 -3.449 0 C-N-CA 127.153 2.181 . . . . 0.0 109.877 -177.119 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -42.41 -45.41 4.35 Favored 'General case' 0 N--CA 1.426 -1.662 0 C-N-CA 131.223 3.809 . . . . 0.0 113.066 167.025 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -92.16 -28.53 17.01 Favored 'General case' 0 N--CA 1.477 0.923 0 O-C-N 118.68 -2.512 . . . . 0.0 115.102 175.602 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.74 -36.57 67.77 Favored 'General case' 0 C--N 1.283 -2.324 0 C-N-CA 127.47 2.308 . . . . 0.0 109.662 -176.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 29.5 m-85 -59.96 -40.7 89.91 Favored 'General case' 0 CA--C 1.575 1.936 0 O-C-N 119.198 -2.189 . . . . 0.0 113.094 174.219 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 45.9 tp -60.29 -42.4 95.4 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 125.163 1.539 . . . . 0.0 114.729 179.314 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' GLY . . . . . 0.416 ' HA3' ' CE1' ' A' ' 50' ' ' TYR . . . -68.36 -39.86 87.36 Favored Glycine 0 CA--C 1.562 3.02 0 CA-C-N 112.893 -1.958 . . . . 0.0 114.38 170.624 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . 0.434 ' HB3' HD23 ' C' ' 148' ' ' LEU . 15.0 tp -67.0 -43.3 83.29 Favored 'General case' 0 CA--C 1.547 0.853 0 CA-C-N 120.571 2.185 . . . . 0.0 110.928 -177.122 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -51.87 -37.13 50.99 Favored 'General case' 0 CA--C 1.596 2.722 0 O-C-N 126.063 2.102 . . . . 0.0 112.453 169.214 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 41.6 tttm -71.57 -26.2 62.52 Favored 'General case' 0 C--N 1.365 1.27 0 CA-C-O 116.872 -1.537 . . . . 0.0 110.208 -177.467 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' CYS . . . . . . . . . . . . . 57.8 m -69.7 -50.57 42.48 Favored 'General case' 0 C--N 1.315 -0.915 0 C-N-CA 130.649 3.58 . . . . 0.0 111.628 173.014 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -51.78 -43.5 63.05 Favored 'General case' 0 N--CA 1.43 -1.475 0 C-N-CA 126.782 2.033 . . . . 0.0 111.391 167.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -68.36 -34.95 77.0 Favored 'General case' 0 CA--C 1.603 2.983 0 O-C-N 118.688 -2.508 . . . . 0.0 112.31 169.255 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 43.4 tp10 -69.44 -26.52 64.63 Favored 'General case' 0 C--N 1.365 1.268 0 CA-C-N 122.987 2.63 . . . . 0.0 113.216 173.339 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 74.6 t -63.77 -43.78 98.05 Favored 'Isoleucine or valine' 0 C--O 1.237 0.428 0 O-C-N 119.9 -1.75 . . . . 0.0 109.331 178.145 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -75.5 -14.86 60.44 Favored 'General case' 0 CA--C 1.599 2.833 0 O-C-N 124.749 1.281 . . . . 0.0 113.422 179.292 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -86.47 -33.5 20.35 Favored 'General case' 0 N--CA 1.394 -3.238 0 O-C-N 120.491 -1.381 . . . . 0.0 109.393 173.719 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 28.6 mm -60.98 -41.24 88.34 Favored 'Isoleucine or valine' 0 N--CA 1.415 -2.182 0 O-C-N 119.906 -1.746 . . . . 0.0 113.266 165.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -48.77 -41.38 32.19 Favored 'General case' 0 CA--C 1.466 -2.275 0 C-N-CA 129.148 2.979 . . . . 0.0 115.685 171.021 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 42.4 ttt-85 -73.2 -36.98 66.6 Favored 'General case' 0 N--CA 1.504 2.257 0 N-CA-C 117.531 2.419 . . . . 0.0 117.531 165.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -67.38 -41.04 85.69 Favored 'General case' 0 N--CA 1.492 1.637 0 N-CA-C 114.296 1.221 . . . . 0.0 114.296 177.372 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 29.4 m -73.2 -22.88 19.61 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.941 0 CA-C-N 119.547 1.067 . . . . 0.0 113.227 -174.397 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 73.7 mm-40 -83.33 -37.86 22.83 Favored 'General case' 0 CA--C 1.58 2.098 0 C-N-CA 126.938 2.095 . . . . 0.0 114.547 168.176 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 2.0 tt -54.33 -37.99 65.49 Favored 'General case' 0 CA--C 1.578 2.044 0 O-C-N 117.747 -3.095 . . . . 0.0 110.828 164.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 35' ' ' TYR . . . . . . . . . . . . . 65.9 t80 -68.83 -32.64 72.48 Favored 'General case' 0 CA--C 1.551 0.998 0 O-C-N 120.693 -1.255 . . . . 0.0 113.018 175.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 36' ' ' ARG . . . . . . . . . . . . . 17.8 ttt180 -58.51 -48.7 79.97 Favored 'General case' 0 C--O 1.264 1.829 0 CA-C-O 116.049 -1.929 . . . . 0.0 113.219 164.139 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 12.3 mt -64.17 -31.89 73.26 Favored 'General case' 0 CA--C 1.578 2.045 0 O-C-N 127.55 3.031 . . . . 0.0 109.361 179.125 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 90.0 m-20 -79.69 -52.07 8.42 Favored 'General case' 0 N--CA 1.524 3.238 0 O-C-N 116.634 -3.791 . . . . 0.0 117.301 176.297 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 41.5 tptt -85.29 -39.77 17.33 Favored 'General case' 0 N--CA 1.499 1.985 0 C-N-CA 125.885 1.674 . . . . 0.0 112.042 -165.43 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 40' ' ' MET . . . . . . . . . . . . . 21.3 mmm -63.92 -36.71 84.83 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 117.517 -3.239 . . . . 0.0 115.201 170.038 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 54.1 tttm -37.27 -40.98 0.73 Allowed Pre-proline 0 C--O 1.198 -1.64 0 CA-C-O 112.785 -3.483 . . . . 0.0 112.434 -177.74 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 67.3 Cg_exo -78.0 -26.2 6.78 Favored 'Trans proline' 0 N--CA 1.437 -1.817 1 CA-C-N 129.824 4.544 . . . . 0.0 107.268 -172.413 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 35.6 m -86.85 -17.21 9.03 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.618 0 O-C-N 116.921 -3.612 . . . . 0.0 116.382 171.057 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 44' ' ' TYR . . . . . . . . . . . . . 22.0 m-30 -67.35 -49.83 62.41 Favored 'General case' 0 N--CA 1.434 -1.251 0 O-C-N 118.26 -2.775 . . . . 0.0 110.651 160.033 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 61.9 mt-10 -64.84 -47.09 79.21 Favored 'General case' 0 N--CA 1.49 1.539 0 CA-C-O 123.564 1.65 . . . . 0.0 114.092 -178.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 6.6 tttt -53.71 -51.38 63.46 Favored 'General case' 0 C--N 1.356 0.883 0 O-C-N 119.803 -1.81 . . . . 0.0 112.666 170.561 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 51.8 ttp180 -55.0 -48.43 73.35 Favored 'General case' 0 C--O 1.263 1.787 0 O-C-N 125.79 1.931 . . . . 0.0 115.278 174.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 48' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -59.53 -46.46 88.79 Favored 'General case' 0 N--CA 1.525 3.28 0 O-C-N 127.241 2.838 . . . . 0.0 111.606 173.516 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.37 -26.54 67.9 Favored 'General case' 0 N--CA 1.429 -1.49 0 C-N-CA 126.813 2.045 . . . . 0.0 113.561 179.635 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 50' ' ' TYR . . . . . . . . . . . . . 31.4 m-85 -82.07 -37.31 26.61 Favored 'General case' 0 CA--C 1.559 1.304 0 C-N-CA 124.263 1.025 . . . . 0.0 109.453 173.699 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 39.4 mt -77.47 -20.13 14.1 Favored 'Isoleucine or valine' 0 C--N 1.374 1.651 0 O-C-N 117.703 -3.123 . . . . 0.0 113.979 176.308 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 63.2 m-20 -76.86 -11.21 59.79 Favored 'General case' 0 C--N 1.374 1.637 0 O-C-N 118.59 -2.569 . . . . 0.0 115.15 159.502 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 21.9 tp10 -109.01 -26.83 9.98 Favored 'General case' 0 N--CA 1.414 -2.253 0 CA-C-N 119.807 1.185 . . . . 0.0 111.706 179.37 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 54' ' ' ILE . . . . . . . . . . . . . 93.0 mt -65.54 133.25 30.92 Favored 'Isoleucine or valine' 0 C--O 1.275 2.425 0 CA-C-O 124.906 2.288 . . . . 0.0 112.276 154.272 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -67.35 -55.8 12.35 Favored 'General case' 0 N--CA 1.429 -1.505 0 O-C-N 120.39 -1.444 . . . . 0.0 107.604 -171.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -148.39 143.53 26.88 Favored 'General case' 0 N--CA 1.501 2.11 0 CA-C-O 123.1 1.429 . . . . 0.0 110.465 177.855 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 57' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -147.6 -50.46 0.18 Allowed 'General case' 0 C--N 1.387 2.211 0 C-N-CA 125.535 1.534 . . . . 0.0 113.561 -163.421 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 58' ' ' TRP . . . . . . . . . . . . . 51.2 m95 -69.01 -32.49 72.06 Favored 'General case' 0 C--N 1.31 -1.123 0 O-C-N 126.666 2.479 . . . . 0.0 117.378 -177.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . 0.435 ' HE2' ' O ' ' B' ' 81' ' ' ASP . 14.8 ptpt -71.83 -1.14 13.09 Favored 'General case' 0 C--N 1.283 -2.293 0 O-C-N 126.309 2.256 . . . . 0.0 114.649 169.538 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 60' ' ' ILE . . . . . . . . . . . . . 48.2 mt -108.22 -44.26 6.67 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.014 0 C-N-CA 130.807 3.643 . . . . 0.0 111.899 168.169 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 61' ' ' VAL . . . . . . . . . . . . 0.316 4.3 m -77.19 -44.99 30.65 Favored 'Isoleucine or valine' 0 C--N 1.396 2.606 1 O-C-N 113.179 -5.951 . . . . 0.0 114.225 -169.865 . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 22.6 mt -66.54 -42.06 87.76 Favored 'General case' 0 N--CA 1.424 -1.738 0 O-C-N 119.405 -2.059 . . . . 0.0 114.714 -160.48 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 69.7 p -62.13 -32.2 72.76 Favored 'General case' 0 N--CA 1.502 2.128 0 O-C-N 124.947 1.404 . . . . 0.0 111.165 -174.425 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 55.4 mt-30 -72.08 -11.61 60.83 Favored 'General case' 0 C--N 1.399 2.724 0 N-CA-C 117.844 2.535 . . . . 0.0 117.844 178.408 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 65' ' ' HIS . . . . . . . . . . . . 0.3 10.9 t-80 -70.31 126.21 28.99 Favored 'General case' 0 N--CA 1.498 1.966 0 CA-C-O 112.532 -3.604 . . . . 0.0 113.975 -172.286 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 5.4 p -51.07 -37.62 17.45 Favored 'Isoleucine or valine' 0 CA--C 1.603 2.999 0 CA-C-N 122.886 2.584 . . . . 0.0 111.757 177.052 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 74.6 m -78.22 -16.72 57.58 Favored 'General case' 0 CA--C 1.559 1.293 0 O-C-N 119.197 -2.19 . . . . 0.0 110.736 177.132 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 68' ' ' PHE . . . . . . . . . . . . . 7.4 t80 -71.68 -15.94 62.23 Favored 'General case' 0 C--O 1.179 -2.647 0 CA-C-N 123.966 3.076 . . . . 0.0 111.797 -178.673 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -49.12 -39.41 28.34 Favored 'General case' 0 N--CA 1.426 -1.651 0 C-N-CA 130.551 3.54 . . . . 0.0 115.128 161.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 70' ' ' ASN . . . . . . . . . . . . . 51.5 m-20 -74.79 -24.24 58.63 Favored 'General case' 0 N--CA 1.482 1.172 0 N-CA-C 116.249 1.944 . . . . 0.0 116.249 177.731 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 71' ' ' TYR . . . . . . . . . . . . 0.259 6.7 m-85 -114.66 -54.7 2.55 Favored 'General case' 0 C--O 1.274 2.371 0 N-CA-C 120.477 3.51 . . . . 0.0 120.477 -162.776 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 72' ' ' ILE . . . . . . . . . . . . . 41.0 mm -103.88 132.15 50.96 Favored 'Isoleucine or valine' 1 N--CA 1.558 4.926 0 CA-C-O 115.371 -2.252 . . . . 0.0 115.998 -168.358 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 73' ' ' ARG . . . . . . . . . . . . 0.297 15.9 mtm180 -69.41 141.38 54.12 Favored 'General case' 0 N--CA 1.485 1.308 1 C-N-CA 135.183 5.393 . . . . 0.0 117.459 -170.559 . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -40.28 -42.1 1.46 Allowed 'General case' 0 CA--C 1.623 3.773 0 O-C-N 125.594 1.809 . . . . 0.0 111.381 168.183 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 75' ' ' SER . . . . . . . . . . . . . 65.6 m -81.59 -25.97 35.32 Favored 'General case' 0 N--CA 1.487 1.383 0 CA-C-O 124.869 2.271 . . . . 0.0 113.434 -168.321 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 76' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -82.77 -27.19 31.19 Favored 'General case' 0 C--O 1.186 -2.269 0 C-N-CA 126.514 1.926 . . . . 0.0 115.1 -173.06 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 77' ' ' PHE . . . . . . . . . . . . . 49.1 m-85 -52.54 -29.67 26.59 Favored 'General case' 0 N--CA 1.43 -1.441 0 N-CA-C 116.639 2.088 . . . . 0.0 116.639 175.182 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 78' ' ' LYS . . . . . . . . . . . . . 21.4 ttmt -60.53 -31.57 70.65 Favored 'General case' 0 N--CA 1.5 2.053 0 O-C-N 120.33 -1.481 . . . . 0.0 113.524 171.042 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 79' ' ' TYR . . . . . . . . . . . . . 51.3 m-85 -84.32 -43.37 14.85 Favored 'General case' 0 N--CA 1.493 1.712 0 CA-C-O 115.682 -2.104 . . . . 0.0 109.005 176.483 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 80' ' ' ILE . . . . . . . . . . . . 0.252 1.8 pt -76.93 -18.85 14.56 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.311 0 CA-C-N 123.661 2.937 . . . . 0.0 110.704 -177.267 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 81' ' ' ASP . . . . . 0.435 ' O ' ' HE2' ' B' ' 59' ' ' LYS 0.271 39.1 t70 -54.46 -32.44 57.68 Favored 'General case' 0 C--O 1.284 2.88 0 CA-C-N 122.476 2.398 . . . . 0.0 112.029 165.885 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . 0.251 6.5 p -74.62 -7.11 52.16 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 118.147 -2.846 . . . . 0.0 115.517 -177.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 83' ' ' ILE . . . . . . . . . . . . . 81.9 mt -56.96 108.59 0.25 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.447 0 CA-C-O 126.004 2.812 . . . . 0.0 110.189 169.76 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 35.0 t0 -66.11 -52.6 47.12 Favored 'General case' 0 CA--C 1.552 1.022 0 O-C-N 119.547 -1.97 . . . . 0.0 114.751 159.103 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 42.8 mmtm -146.77 147.38 30.85 Favored 'General case' 0 N--CA 1.522 3.159 0 C-N-CA 127.045 2.138 . . . . 0.0 115.014 -164.057 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 86' ' ' ILE . . . . . . . . . . . . . 24.2 mt -145.5 126.41 7.58 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 C-N-CA 128.907 2.883 . . . . 0.0 108.369 178.295 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 11.0 mttm -133.65 139.25 46.36 Favored 'General case' 0 C--N 1.297 -1.706 0 O-C-N 120.045 -1.659 . . . . 0.0 114.151 -179.277 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 88' ' ' VAL . . . . . . . . . . . . . 2.5 p -107.96 144.95 15.75 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.752 0 N-CA-C 104.283 -2.488 . . . . 0.0 104.283 178.739 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 42.2 tp10 -158.66 132.79 7.83 Favored 'General case' 0 N--CA 1.48 1.036 1 CA-C-O 129.431 4.443 . . . . 0.0 107.571 -164.834 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 18.3 m-90 -100.63 159.96 14.74 Favored 'General case' 0 C--O 1.246 0.884 1 O-C-N 115.486 -4.508 . . . . 0.0 114.386 -178.516 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 1.3 mp -126.33 -25.8 3.44 Favored 'General case' 0 C--N 1.375 1.692 0 C-N-CA 125.468 1.507 . . . . 0.0 113.091 -166.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 92' ' ' ALA . . . . . . . . . . . . . . . -65.6 -29.82 70.46 Favored 'General case' 0 CA--C 1.57 1.713 0 N-CA-C 117.038 2.236 . . . . 0.0 117.038 -163.457 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 92.1 mt -79.71 -15.64 57.16 Favored 'General case' 0 N--CA 1.526 3.356 0 N-CA-C 115.618 1.71 . . . . 0.0 115.618 164.5 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -94.19 -14.42 25.62 Favored 'General case' 0 N--CA 1.488 1.469 1 O-C-N 116.219 -4.05 . . . . 0.0 115.349 171.019 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 95' ' ' SER . . . . . . . . . . . . 0.291 7.8 t -151.75 133.55 14.89 Favored 'General case' 0 N--CA 1.495 1.793 0 C-N-CA 126.317 1.847 . . . . 0.0 113.958 -170.146 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 96' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -68.44 -21.55 64.65 Favored 'General case' 0 C--N 1.4 2.767 0 O-C-N 118.108 -2.87 . . . . 0.0 113.611 173.229 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 97' ' ' MET . . . . . . . . . . . . . 16.8 tpp -70.94 -16.18 62.64 Favored 'General case' 0 N--CA 1.5 2.075 0 N-CA-C 118.844 2.905 . . . . 0.0 118.844 -170.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 98' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -125.57 139.56 53.49 Favored 'General case' 0 C--O 1.198 -1.634 0 C-N-CA 127.562 2.345 . . . . 0.0 111.763 -171.228 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 99' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -73.82 152.51 40.25 Favored 'General case' 0 C--O 1.266 1.955 0 C-N-CA 129.336 3.054 . . . . 0.0 109.929 175.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 100' ' ' THR . . . . . . . . . . . . . 58.3 p -66.18 -24.36 66.62 Favored 'General case' 0 N--CA 1.486 1.336 0 O-C-N 117.267 -3.395 . . . . 0.0 109.463 175.42 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 101' ' ' ARG . . . . . . . . . . . . . 89.7 mtm180 -80.88 -1.28 42.7 Favored 'General case' 0 C--O 1.18 -2.554 0 CA-C-O 113.35 -3.214 . . . . 0.0 116.069 169.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 102' ' ' ASP . . . . . . . . . . . . . 66.2 m-20 -97.2 161.34 13.85 Favored 'General case' 0 C--O 1.289 3.139 0 O-C-N 126.722 2.514 . . . . 0.0 112.904 164.712 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 103' ' ' PHE . . . . . . . . . . . . . 22.8 p90 -156.27 161.67 40.2 Favored 'General case' 1 CA--C 1.63 4.052 0 O-C-N 119.452 -2.03 . . . . 0.0 112.56 -173.027 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 104' ' ' SER . . . . . . . . . . . . . 11.6 p -127.9 153.01 47.15 Favored 'General case' 0 C--O 1.255 1.355 0 O-C-N 121.3 -0.875 . . . . 0.0 112.484 168.439 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 105' ' ' ILE . . . . . . . . . . . . . 48.8 mt -125.38 143.04 40.32 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 170.523 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 56.2 m -114.9 132.45 56.53 Favored 'General case' 0 N--CA 1.53 3.57 1 C-N-CA 133.981 4.913 . . . . 0.0 105.407 -175.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 107' ' ' PHE . . . . . . . . . . . . . 27.7 m-85 -116.7 154.33 30.79 Favored 'General case' 0 C--O 1.181 -2.502 0 CA-C-O 115.293 -2.289 . . . . 0.0 111.365 166.241 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 108' ' ' HIS . . . . . . . . . . . . 0.252 85.9 t60 -136.22 111.18 8.85 Favored 'General case' 0 C--N 1.359 0.991 0 O-C-N 125.713 1.883 . . . . 0.0 113.772 167.078 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 109' ' ' PHE . . . . . . . . . . . . 0.259 1.3 m-85 -101.39 129.1 47.34 Favored 'General case' 0 CA--C 1.567 1.629 0 C-N-CA 128.144 2.578 . . . . 0.0 109.394 -174.556 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 110' ' ' HIS . . . . . . . . . . . . . 61.0 m170 -72.37 -18.36 61.75 Favored 'General case' 0 C--N 1.307 -1.24 0 O-C-N 116.809 -3.682 . . . . 0.0 117.428 165.67 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 111' ' ' GLY . . . . . . . . . . . . . . . 84.25 170.35 46.66 Favored Glycine 0 C--O 1.208 -1.521 0 O-C-N 117.315 -3.366 . . . . 0.0 116.898 169.468 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 112' ' ' ILE . . . . . . . . . . . . . 2.3 mt -110.78 124.11 67.28 Favored 'Isoleucine or valine' 0 CA--C 1.577 2.0 0 CA-C-O 125.262 2.458 . . . . 0.0 111.051 162.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 113' ' ' GLU . . . . . . . . . . . . 0.266 38.0 tt0 -61.31 116.07 4.34 Favored 'General case' 0 N--CA 1.409 -2.484 0 CA-C-N 112.948 -1.933 . . . . 0.0 112.597 -177.641 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 114' ' ' GLY . . . . . . . . . . . . . . . 78.49 23.43 65.13 Favored Glycine 1 N--CA 1.516 4.01 0 CA-C-O 115.419 -2.878 . . . . 0.0 111.316 -179.457 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 115' ' ' ASP . . . . . . . . . . . . . 31.6 t0 -144.61 -56.63 0.35 Allowed 'General case' 0 C--N 1.307 -1.246 0 O-C-N 127.072 2.278 . . . . 0.0 112.585 -175.347 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 116' ' ' PHE . . . . . . . . . . . . . 19.7 t80 -144.29 114.91 7.67 Favored 'General case' 0 C--O 1.272 2.253 0 CA-C-O 116.166 -1.873 . . . . 0.0 108.674 -168.046 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 82.7 tttt -65.08 152.4 43.6 Favored 'General case' 0 CA--C 1.487 -1.457 0 CA-C-N 120.455 1.479 . . . . 0.0 114.599 -168.413 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 49.8 tt0 -69.07 117.75 11.12 Favored 'General case' 0 N--CA 1.491 1.609 0 CA-C-N 115.406 -0.815 . . . . 0.0 111.651 168.264 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 119' ' ' GLN . . . . . 0.541 HE22 ' HB2' ' B' ' 147' ' ' GLU . 11.4 pt20 -144.97 139.87 27.82 Favored 'General case' 0 C--O 1.212 -0.883 0 N-CA-C 120.95 3.685 . . . . 0.0 120.95 -173.181 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 120' ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -98.33 133.47 42.69 Favored 'General case' 0 CA--C 1.559 1.317 1 O-C-N 114.76 -4.962 . . . . 0.0 108.48 161.349 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 20.6 t -142.94 142.45 26.1 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.787 0 C-N-CA 131.587 3.955 . . . . 0.0 108.09 -172.404 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 122' ' ' THR . . . . . . . . . . . . . 89.5 m -128.36 132.52 48.56 Favored 'General case' 0 C--N 1.365 1.266 0 C-N-CA 128.086 2.554 . . . . 0.0 110.414 171.214 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 123' ' ' LYS . . . . . . . . . . . . . 58.8 tttp -117.94 130.74 56.4 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 118.548 -2.595 . . . . 0.0 106.83 172.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 124' ' ' VAL . . . . . . . . . . . . . 2.4 p -96.77 151.64 4.08 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.96 0 N-CA-C 116.404 2.002 . . . . 0.0 116.404 166.403 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 125' ' ' PHE . . . . . . . . . . . . . 34.0 m-85 -135.52 140.3 44.64 Favored 'General case' 0 CA--C 1.479 -1.781 1 C-N-CA 132.738 4.415 . . . . 0.0 110.328 -169.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 126' ' ' GLN . . . . . . . . . . . . . 38.2 mt-30 -150.99 141.24 22.29 Favored 'General case' 0 N--CA 1.503 2.2 0 C-N-CA 127.566 2.346 . . . . 0.0 110.48 -176.452 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 127' ' ' ILE . . . . . . . . . . . . 0.355 6.6 tp -92.52 136.84 23.67 Favored 'Isoleucine or valine' 0 C--N 1.36 1.044 0 CA-C-N 112.705 -2.043 . . . . 0.0 114.746 -175.202 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -115.82 160.87 19.58 Favored 'General case' 0 C--N 1.378 1.812 0 O-C-N 124.527 1.142 . . . . 0.0 111.632 177.127 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 32.6 mtpt -156.15 169.36 24.68 Favored 'General case' 0 N--CA 1.506 2.326 0 O-C-N 119.552 -1.968 . . . . 0.0 107.429 -170.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 130' ' ' GLY . . . . . . . . . . . . . . . -65.69 118.8 12.17 Favored Glycine 0 CA--C 1.54 1.642 1 O-C-N 115.545 -4.472 . . . . 0.0 106.833 162.865 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 49.3 tptt -151.81 111.02 3.91 Favored 'General case' 0 C--O 1.211 -0.954 0 N-CA-C 105.344 -2.095 . . . . 0.0 105.344 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 47.58 -54.54 0.0 OUTLIER 'General case' 0 C--N 1.352 0.716 0 C-N-CA 130.639 3.576 . . . . 0.0 115.067 -150.574 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 133' ' ' ASP . . . . . . . . . . . . . 41.9 m-20 -87.08 116.05 24.88 Favored 'General case' 0 N--CA 1.532 3.629 0 O-C-N 127.173 2.796 . . . . 0.0 109.976 167.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 134' ' ' GLN . . . . . . . . . . . . 0.325 18.6 tp60 -82.57 42.91 0.79 Allowed 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 131.455 3.902 . . . . 0.0 110.026 -170.019 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 135' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -68.33 141.4 55.82 Favored 'General case' 0 C--O 1.267 1.987 0 CA-C-O 122.494 1.14 . . . . 0.0 109.008 169.67 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 136' ' ' ASP . . . . . . . . . . . . . 37.1 t0 -53.49 130.58 36.18 Favored 'General case' 0 C--N 1.313 -0.993 0 C-N-CA 126.623 1.969 . . . . 0.0 111.18 -172.348 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 137' ' ' GLY . . . . . . . . . . . . . . . -57.72 115.57 6.98 Favored Glycine 0 N--CA 1.484 1.896 0 CA-C-N 112.86 -1.973 . . . . 0.0 112.233 176.536 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 138' ' ' ILE . . . . . . . . . . . . . 43.3 pt -144.02 152.57 15.83 Favored 'Isoleucine or valine' 0 C--N 1.38 1.898 0 O-C-N 121.371 -1.076 . . . . 0.0 112.327 179.654 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 139' ' ' LEU . . . . . . . . . . . . . 14.5 tp -80.73 139.53 36.06 Favored 'General case' 0 CA--C 1.586 2.359 0 N-CA-C 117.672 2.471 . . . . 0.0 117.672 162.325 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 140' ' ' THR . . . . . . . . . . . . . 30.6 p -145.61 169.69 17.93 Favored 'General case' 0 C--O 1.262 1.724 0 CA-C-O 126.32 2.962 . . . . 0.0 111.51 -172.12 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 141' ' ' SER . . . . . . . . . . . . . 28.9 t -159.14 171.9 19.1 Favored 'General case' 0 C--N 1.307 -1.249 0 CA-C-O 126.873 3.225 . . . . 0.0 104.878 -165.284 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 142' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -111.09 147.23 36.15 Favored Pre-proline 0 CA--C 1.555 1.153 0 O-C-N 117.099 -3.501 . . . . 0.0 106.944 174.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 143' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_endo -64.79 140.71 68.62 Favored 'Trans proline' 0 N--CA 1.4 -3.995 0 C-N-CA 124.888 3.725 . . . . 0.0 112.423 172.271 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 144' ' ' VAL . . . . . . . . . . . . . 21.6 t -115.28 135.44 22.55 Favored Pre-proline 0 N--CA 1.496 1.855 0 CA-C-N 113.718 -1.583 . . . . 0.0 110.225 179.754 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 145' ' ' PRO . . . . . . . . . . . . . 27.0 Cg_endo -63.69 121.47 9.23 Favored 'Trans proline' 0 N--CA 1.506 2.22 0 C-N-CA 123.675 2.917 . . . . 0.0 115.118 165.161 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 146' ' ' ILE . . . . . . . . . . . . . 4.5 tt -132.98 142.62 41.75 Favored 'Isoleucine or valine' 0 C--N 1.364 1.221 0 C-N-CA 124.559 1.144 . . . . 0.0 111.492 -177.055 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 147' ' ' GLU . . . . . 0.541 ' HB2' HE22 ' B' ' 119' ' ' GLN 0.274 62.8 mm-40 -83.41 101.89 11.66 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 116.643 -2.023 . . . . 0.0 114.756 169.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 148' ' ' TRP . . . . . . . . . . . . . 5.4 m95 -60.54 157.23 38.02 Favored Pre-proline 0 N--CA 1.527 3.392 0 CA-C-O 114.513 -2.661 . . . . 0.0 116.722 178.069 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 149' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -62.64 142.95 91.57 Favored 'Trans proline' 0 C--N 1.388 2.641 0 C-N-CA 124.222 3.281 . . . . 0.0 107.45 175.075 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 150' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -63.12 -39.54 95.0 Favored 'General case' 0 N--CA 1.482 1.155 0 CA-C-O 122.711 1.243 . . . . 0.0 113.347 162.692 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 151' ' ' SER . . . . . . . . . . . . . 18.9 m -56.61 -15.18 3.96 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 118.505 -2.622 . . . . 0.0 116.683 169.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 152' ' ' TYR . . . . . . . . . . . . . 3.9 m-30 -104.65 6.74 34.59 Favored 'General case' 0 C--N 1.356 0.875 0 O-C-N 119.966 -1.709 . . . . 0.0 110.634 -172.394 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 153' ' ' ASP . . . . . . . . . . . . . 52.6 p-10 -58.8 -13.92 7.43 Favored 'General case' 1 N--CA 1.549 4.479 0 N-CA-C 117.04 2.237 . . . . 0.0 117.04 179.454 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 154' ' ' SER . . . . . . . . . . . . . 20.2 p -75.47 -15.32 60.43 Favored 'General case' 0 N--CA 1.523 3.201 0 C-N-CA 130.243 3.417 . . . . 0.0 114.493 168.051 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 155' ' ' ILE . . . . . . . . . . . . 0.266 3.2 pt -135.71 -12.24 0.82 Allowed 'Isoleucine or valine' 0 C--O 1.268 2.042 0 CA-C-O 117.405 -1.283 . . . . 0.0 112.963 -177.5 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 156' ' ' ASN . . . . . . . . . . . . . 49.3 t-20 -57.61 111.32 3.3 Favored Pre-proline 0 C--N 1.369 1.425 0 CA-C-O 115.704 -2.093 . . . . 0.0 108.404 168.521 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 157' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_exo -47.14 -38.74 25.48 Favored 'Trans proline' 0 N--CA 1.434 -1.982 0 N-CA-C 116.249 1.596 . . . . 0.0 116.249 -175.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 158' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -65.19 -16.81 63.92 Favored 'General case' 0 CA--C 1.558 1.261 0 C-N-CA 127.858 2.463 . . . . 0.0 114.985 -179.237 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 159' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -107.04 -6.09 17.67 Favored 'General case' 0 C--N 1.32 -0.676 0 C-N-CA 126.398 1.879 . . . . 0.0 115.178 173.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 160' ' ' ILE . . . . . . . . . . . . . 17.0 mm -54.59 121.19 2.79 Favored 'Isoleucine or valine' 0 C--O 1.253 1.259 0 O-C-N 119.661 -1.899 . . . . 0.0 111.825 167.025 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 161' ' ' LYS . . . . . . . . . . . . . 77.6 tttt -64.85 -42.7 94.68 Favored 'General case' 0 N--CA 1.479 1.011 0 CA-C-O 127.669 3.604 . . . . 0.0 115.362 179.471 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 162' ' ' ASP . . . . . . . . . . . . . 51.0 t0 -150.68 106.1 3.37 Favored 'General case' 0 N--CA 1.486 1.355 0 CA-C-N 110.401 -3.09 . . . . 0.0 113.519 -178.256 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 163' ' ' LYS . . . . . . . . . . . . . 34.2 mtmm -76.69 5.84 6.94 Favored 'General case' 0 CA--C 1.547 0.844 0 N-CA-C 117.676 2.473 . . . . 0.0 117.676 178.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 164' ' ' ARG . . . . . . . . . . . . . 12.6 mtm180 -80.53 -28.57 37.31 Favored 'General case' 0 C--O 1.194 -1.823 0 N-CA-C 117.308 2.336 . . . . 0.0 117.308 167.365 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 165' ' ' SER . . . . . . . . . . . . . 2.6 t -60.12 148.79 77.25 Favored Pre-proline 0 CA--C 1.62 3.658 0 N-CA-C 115.671 1.73 . . . . 0.0 115.671 -171.142 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 166' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_exo -62.04 -17.89 58.59 Favored 'Trans proline' 0 N--CA 1.514 2.684 0 C-N-CA 123.694 2.929 . . . . 0.0 113.181 170.188 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 167' ' ' GLU . . . . . . . . . . . . . 62.8 mm-40 -101.16 -41.34 6.77 Favored 'General case' 0 C--O 1.202 -1.415 0 C-N-CA 126.514 1.926 . . . . 0.0 112.844 170.369 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 168' ' ' GLY . . . . . . . . . . . . . . . -65.53 -40.68 96.25 Favored Glycine 0 N--CA 1.482 1.76 0 CA-C-O 124.447 2.137 . . . . 0.0 114.024 -179.423 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 169' ' ' LYS . . . . . . . . . . . . . 16.9 ttmt -81.82 -29.15 32.77 Favored 'General case' 0 CA--C 1.61 3.272 1 O-C-N 115.487 -4.537 . . . . 0.0 109.548 -179.744 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 41.9 tttp -66.86 -45.68 77.39 Favored 'General case' 0 N--CA 1.419 -1.977 0 CA-C-O 115.188 -2.339 . . . . 0.0 111.962 168.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 171' ' ' LYS . . . . . . . . . . . . . 75.0 mttt -57.61 -40.02 78.18 Favored 'General case' 0 N--CA 1.516 2.843 0 CA-C-N 122.208 2.276 . . . . 0.0 111.238 173.336 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 172' ' ' TYR . . . . . . . . . . . . . 25.9 t80 -60.77 -48.06 83.49 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 118.794 -2.441 . . . . 0.0 115.893 166.603 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 173' ' ' ARG . . . . . 0.433 ' HA ' ' HG2' ' B' ' 176' ' ' MET 0.286 57.0 mtt180 -60.9 -28.15 68.7 Favored 'General case' 0 C--N 1.362 1.117 0 O-C-N 127.402 2.939 . . . . 0.0 114.834 171.928 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 174' ' ' GLN . . . . . . . . . . . . . 85.1 mt-30 -72.44 -57.53 4.1 Favored 'General case' 0 C--N 1.363 1.181 0 O-C-N 118.813 -2.429 . . . . 0.0 109.836 171.633 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 175' ' ' GLY . . . . . . . . . . . . . . . -54.2 -41.88 71.32 Favored Glycine 0 C--O 1.252 1.232 0 C-N-CA 127.062 2.268 . . . . 0.0 112.68 -177.573 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 176' ' ' MET . . . . . 0.433 ' HG2' ' HA ' ' B' ' 173' ' ' ARG . 12.1 ptp -68.02 -23.76 65.03 Favored 'General case' 0 CA--C 1.593 2.622 0 N-CA-C 115.839 1.792 . . . . 0.0 115.839 178.021 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 177' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -77.99 -10.96 59.85 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 127.937 2.495 . . . . 0.0 114.37 174.721 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 178' ' ' THR . . . . . . . . . . . . . 68.9 p -65.33 165.9 10.94 Favored 'General case' 0 N--CA 1.504 2.232 0 O-C-N 119.599 -1.938 . . . . 0.0 109.724 177.384 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 179' ' ' ILE . . . . . . . . . . . . . 8.7 tp -59.2 -31.18 45.51 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.391 0 CA-C-N 112.584 -2.098 . . . . 0.0 111.726 165.181 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 180' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -72.57 -34.41 67.46 Favored 'General case' 0 C--O 1.266 1.969 0 CA-C-N 121.053 1.751 . . . . 0.0 114.136 176.434 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 181' ' ' GLY . . . . . . . . . . . . . . . -71.0 -29.43 69.04 Favored Glycine 1 CA--C 1.582 4.262 0 N-CA-C 110.159 -1.176 . . . . 0.0 110.159 171.576 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 182' ' ' TRP . . . . . 0.452 ' CD1' HD23 ' B' ' 200' ' ' LEU . 74.1 t90 -58.61 -42.22 87.68 Favored 'General case' 0 C--N 1.368 1.391 0 O-C-N 120.36 -1.671 . . . . 0.0 113.169 164.529 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 183' ' ' PHE . . . . . . . . . . . . . 84.9 m-85 -55.2 -48.65 73.53 Favored 'General case' 0 C--N 1.321 -0.637 0 O-C-N 116.706 -3.746 . . . . 0.0 117.319 167.358 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 184' ' ' ARG . . . . . . . . . . . . . 17.9 ttm180 -58.49 -3.39 0.28 Allowed 'General case' 0 C--N 1.402 2.855 0 N-CA-C 121.03 3.715 . . . . 0.0 121.03 155.201 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 185' ' ' TRP . . . . . 0.403 ' CZ2' ' HA2' ' B' ' 187' ' ' GLY . 73.9 t90 -68.08 148.6 50.74 Favored 'General case' 0 N--CA 1.407 -2.617 0 CA-C-N 123.686 2.948 . . . . 0.0 114.032 -179.595 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 186' ' ' THR . . . . . . . . . . . . . 61.2 p -133.53 -25.84 1.67 Allowed 'General case' 0 CA--C 1.565 1.541 0 C-N-CA 126.206 1.803 . . . . 0.0 115.33 -177.12 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 187' ' ' GLY . . . . . 0.403 ' HA2' ' CZ2' ' B' ' 185' ' ' TRP . . . 98.54 -6.24 60.85 Favored Glycine 0 CA--C 1.546 2.027 0 C-N-CA 128.354 2.883 . . . . 0.0 110.861 179.018 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 188' ' ' LEU . . . . . . . . . . . . . 43.7 mt -112.47 3.72 17.02 Favored 'General case' 0 N--CA 1.511 2.604 0 CA-C-O 113.39 -3.195 . . . . 0.0 112.684 -160.419 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 189' ' ' LYS . . . . . . . . . . . . . 36.5 mttt -119.86 77.82 22.71 Favored Pre-proline 0 C--O 1.206 -1.216 0 O-C-N 126.051 2.094 . . . . 0.0 110.967 -174.032 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 190' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -46.55 115.48 1.22 Allowed 'Trans proline' 0 C--N 1.385 2.466 0 C-N-CA 124.419 3.412 . . . . 0.0 115.196 -179.148 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 191' ' ' GLY . . . . . . . . . . . . . . . 71.5 -0.14 35.73 Favored Glycine 1 CA--C 1.583 4.31 0 CA-C-N 113.856 -1.52 . . . . 0.0 113.38 -179.177 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 192' ' ' LYS . . . . . . . . . . . . . 28.7 mmtp -113.48 16.93 18.71 Favored 'General case' 0 CA--C 1.564 1.483 0 O-C-N 117.471 -3.37 . . . . 0.0 116.758 -175.664 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 193' ' ' GLU . . . . . . . . . . . . . 21.5 pt-20 -158.61 176.53 12.27 Favored 'General case' 0 CA--C 1.489 -1.394 0 C-N-CA 128.562 2.745 . . . . 0.0 110.296 177.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 194' ' ' PHE . . . . . . . . . . . . . 36.3 t80 -49.75 118.25 8.29 Favored Pre-proline 0 C--O 1.198 -1.636 0 C-N-CA 126.937 2.095 . . . . 0.0 115.792 179.642 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 195' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo -73.96 138.07 25.21 Favored 'Trans proline' 0 C--O 1.252 1.191 0 CA-C-N 115.207 -0.676 . . . . 0.0 113.792 -172.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 196' ' ' HIS . . . . . . . . . . . . . 58.9 m-70 62.6 29.04 16.91 Favored 'General case' 0 CA--C 1.547 0.83 0 N-CA-C 115.404 1.631 . . . . 0.0 115.404 -177.343 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 197' ' ' GLY . . . . . . . . . . . . . . . -74.44 -26.74 67.15 Favored Glycine 0 C--N 1.383 3.165 0 CA-C-N 115.027 -0.988 . . . . 0.0 111.441 -168.415 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 198' ' ' ASP . . . . . . . . . . . . . 22.1 p-10 -59.13 -40.22 84.79 Favored 'General case' 0 CA--C 1.558 1.259 0 C-N-CA 124.586 1.155 . . . . 0.0 110.608 169.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 199' ' ' SER . . . . . . . . . . . . . 54.7 m -79.68 -19.96 47.73 Favored 'General case' 0 C--O 1.255 1.37 0 C-N-CA 118.707 -1.197 . . . . 0.0 109.14 -173.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 200' ' ' LEU . . . . . 0.452 HD23 ' CD1' ' B' ' 182' ' ' TRP 0.307 66.4 tp -69.56 -25.97 64.26 Favored 'General case' 0 N--CA 1.402 -2.855 0 O-C-N 119.064 -2.273 . . . . 0.0 114.5 161.646 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 201' ' ' ALA . . . . . . . . . . . . . . . -67.24 -45.16 77.57 Favored 'General case' 0 N--CA 1.415 -2.201 0 CA-C-N 121.01 1.732 . . . . 0.0 111.018 172.562 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 202' ' ' SER . . . . . . . . . . . . . 33.4 t -62.42 -34.05 76.0 Favored 'General case' 0 N--CA 1.513 2.69 0 N-CA-C 115.607 1.706 . . . . 0.0 115.607 171.735 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 203' ' ' LEU . . . . . 0.401 ' HA ' ' HB3' ' B' ' 207' ' ' GLU 0.27 6.0 tt -69.78 -54.1 15.24 Favored 'General case' 0 C--N 1.297 -1.703 0 O-C-N 120.266 -1.521 . . . . 0.0 107.214 -173.456 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 204' ' ' PHE . . . . . . . . . . . . . 75.8 m-85 -57.03 -28.76 62.8 Favored 'General case' 0 N--CA 1.523 3.219 0 N-CA-C 116.461 2.023 . . . . 0.0 116.461 178.098 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 205' ' ' SER . . . . . . . . . . . . . 25.5 p -98.71 -24.98 14.83 Favored 'General case' 0 N--CA 1.489 1.5 0 N-CA-C 114.675 1.361 . . . . 0.0 114.675 -169.522 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 206' ' ' GLU . . . . . . . . . . . . . 13.2 tp10 -149.77 -54.51 0.17 Allowed 'General case' 0 CA--C 1.457 -2.623 0 CA-C-O 116.435 -1.745 . . . . 0.0 109.289 -159.522 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 207' ' ' GLU . . . . . 0.401 ' HB3' ' HA ' ' B' ' 203' ' ' LEU . 45.1 tt0 -77.28 -15.46 59.43 Favored 'General case' 0 N--CA 1.494 1.769 0 CA-C-N 120.225 1.375 . . . . 0.0 114.622 -172.66 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 208' ' ' ILE . . . . . . . . . . . . 0.263 10.6 tp -70.48 -39.59 76.44 Favored 'Isoleucine or valine' 0 C--N 1.367 1.336 0 O-C-N 118.25 -2.781 . . . . 0.0 114.585 171.399 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 209' ' ' TYR . . . . . . . . . . . . . 41.8 m-85 -71.07 -38.2 6.8 Favored Pre-proline 1 CA--C 1.631 4.089 1 O-C-N 115.434 -4.542 . . . . 0.0 113.041 -164.939 . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' B' B ' 210' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_exo -52.36 -24.5 21.56 Favored 'Trans proline' 0 N--CA 1.408 -3.532 1 C-N-CA 126.332 4.688 . . . . 0.0 117.446 169.092 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 211' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -124.8 -16.16 6.25 Favored 'General case' 0 C--O 1.252 1.223 0 N-CA-C 119.135 3.013 . . . . 0.0 119.135 178.41 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 212' ' ' CYS . . . . . . . . . . . . . 30.7 p -58.1 -35.11 70.95 Favored 'General case' 0 C--N 1.381 1.965 0 CA-C-O 114.587 -2.625 . . . . 0.0 109.624 -166.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 213' ' ' VAL . . . . . . . . . . . . . 23.1 t -76.84 -38.51 29.4 Favored 'Isoleucine or valine' 0 CA--C 1.578 2.028 0 CA-C-O 116.094 -1.908 . . . . 0.0 108.643 -178.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 214' ' ' LYS . . . . . . . . . . . . . 80.1 mttt -46.94 -49.82 19.95 Favored 'General case' 0 N--CA 1.495 1.82 0 CA-C-N 122.837 2.562 . . . . 0.0 110.381 162.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 215' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 -66.69 -46.81 74.4 Favored 'General case' 0 C--O 1.244 0.766 0 O-C-N 127.294 2.871 . . . . 0.0 114.223 -177.493 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 216' ' ' TYR . . . . . . . . . . . . . 26.5 t80 -53.74 -51.45 63.3 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 119.961 -1.712 . . . . 0.0 113.815 169.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 217' ' ' ALA . . . . . . . . . . . . . . . -62.59 -27.44 69.19 Favored 'General case' 0 C--N 1.368 1.38 0 N-CA-C 114.716 1.376 . . . . 0.0 114.716 172.042 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 218' ' ' GLU . . . . . . . . . . . . . 29.6 tp10 -72.06 -42.33 66.37 Favored 'General case' 0 N--CA 1.489 1.48 0 CA-C-O 123.085 1.422 . . . . 0.0 110.592 -178.36 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 219' ' ' ALA . . . . . . . . . . . . 0.258 . . -67.28 -23.24 65.65 Favored 'General case' 0 N--CA 1.495 1.807 0 N-CA-C 116.222 1.934 . . . . 0.0 116.222 169.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 220' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.25 -17.36 60.34 Favored 'General case' 0 CA--C 1.6 2.878 0 N-CA-C 117.238 2.31 . . . . 0.0 117.238 163.59 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 221' ' ' ARG . . . . . . . . . . . . . 31.1 ttp85 -63.39 129.65 41.12 Favored 'General case' 0 C--N 1.32 -0.705 0 C-N-CA 125.293 1.437 . . . . 0.0 112.121 178.322 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 222' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -107.94 -19.87 13.37 Favored 'General case' 0 N--CA 1.529 3.506 0 O-C-N 120.553 -1.342 . . . . 0.0 110.431 176.665 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 223' ' ' LEU . . . . . . . . . . . . . 52.7 mt -61.44 164.25 5.9 Favored 'General case' 0 CA--C 1.561 1.397 0 O-C-N 119.787 -1.82 . . . . 0.0 108.753 174.655 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 224' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -128.85 141.29 51.34 Favored 'General case' 0 CA--C 1.594 2.66 0 C-N-CA 129.681 3.193 . . . . 0.0 114.276 -175.535 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 225' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 . . . . . 0 CA--C 1.565 1.549 0 CA-C-O 123.24 1.495 . . . . 0.0 113.106 -176.111 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.567 3.291 0 CA-C-O 116.996 -2.002 . . . . 0.0 112.002 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' -4' ' ' MET . . . . . . . . . . . . . 95.8 mtp 49.25 43.35 22.84 Favored 'General case' 0 N--CA 1.518 2.956 0 CA-C-O 126.693 3.139 . . . . 0.0 114.252 175.252 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' -3' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -66.06 135.29 95.12 Favored Pre-proline 0 CA--C 1.561 1.376 0 O-C-N 118.267 -2.77 . . . . 0.0 107.869 179.403 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' -2' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -71.2 -32.14 13.39 Favored 'Trans proline' 0 C--O 1.188 -2.023 1 C-N-CA 126.054 4.503 . . . . 0.0 114.037 -176.548 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' -1' ' ' ASN . . . . . . . . . . . . . 41.2 m-80 -83.99 -0.14 50.39 Favored 'General case' 0 N--CA 1.491 1.62 0 CA-C-N 121.054 1.752 . . . . 0.0 110.429 176.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 0' ' ' SER . . . . . . . . . . . . . 5.2 t -101.8 142.03 33.74 Favored 'General case' 0 N--CA 1.509 2.492 0 O-C-N 119.15 -2.219 . . . . 0.0 115.455 173.572 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . 0.286 92.4 mtp -62.71 115.85 4.68 Favored 'General case' 0 CA--C 1.556 1.21 0 N-CA-C 116.983 2.216 . . . . 0.0 116.983 176.075 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 2' ' ' SER . . . . . . . . . . . . . 79.8 p -69.69 160.02 32.4 Favored 'General case' 0 C--O 1.282 2.781 0 O-C-N 120.16 -1.587 . . . . 0.0 107.744 163.652 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 3' ' ' LEU . . . . . . . . . . . . . 13.7 tp -65.22 -19.59 66.04 Favored 'General case' 0 N--CA 1.412 -2.365 0 N-CA-C 118.118 2.636 . . . . 0.0 118.118 167.327 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 4' ' ' ASN . . . . . . . . . . . . . 41.0 m-20 -70.93 -43.49 68.11 Favored 'General case' 0 N--CA 1.438 -1.072 0 CA-C-O 117.443 -1.265 . . . . 0.0 110.647 169.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 5' ' ' ASP . . . . . . . . . . . . . 38.4 m-20 -63.39 -32.27 73.66 Favored 'General case' 0 CA--C 1.505 -0.753 0 CA-C-N 123.451 2.841 . . . . 0.0 113.729 175.433 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 6' ' ' PHE . . . . . . . . . . . . . 72.4 m-85 -62.8 -64.92 0.77 Allowed 'General case' 0 C--O 1.281 2.76 1 O-C-N 113.73 -5.606 . . . . 0.0 111.103 163.06 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 54.2 tp -64.64 -35.68 81.81 Favored 'General case' 0 N--CA 1.514 2.731 0 C-N-CA 125.275 1.43 . . . . 0.0 111.464 -162.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 8' ' ' SER . . . . . 0.601 ' HB3' HD12 ' C' ' 398' ' ' LEU . 87.9 p -70.58 -16.37 62.85 Favored 'General case' 0 C--N 1.313 -1.006 0 O-C-N 120.562 -1.336 . . . . 0.0 110.859 179.19 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 9' ' ' SER . . . . . . . . . . . . . 53.6 m -80.47 -13.31 59.22 Favored 'General case' 0 C--O 1.305 3.985 0 CA-C-O 115.128 -2.367 . . . . 0.0 113.019 -175.264 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 3.8 m -108.26 -13.19 10.47 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.268 0 CA-C-N 122.583 2.447 . . . . 0.0 114.395 172.057 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 43.5 mt -71.4 152.3 94.11 Favored Pre-proline 0 N--CA 1.491 1.617 0 CA-C-O 113.752 -3.023 . . . . 0.0 111.586 177.543 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 12' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_exo -59.0 143.63 99.72 Favored 'Trans proline' 0 C--O 1.286 2.919 1 C-N-CA 127.153 5.236 . . . . 0.0 111.137 179.654 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 13' ' ' VAL . . . . . . . . . . . . . 4.5 p -75.57 137.14 23.46 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.344 0 CA-C-O 123.766 1.746 . . . . 0.0 108.66 -164.221 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 14' ' ' SER . . . . . . . . . . . . . 6.4 p 57.91 -15.47 0.02 OUTLIER 'General case' 0 CA--C 1.602 2.978 0 C-N-CA 131.531 3.933 . . . . 0.0 113.818 -171.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 28.7 tp10 -60.08 125.93 25.56 Favored 'General case' 0 N--CA 1.501 2.091 1 O-C-N 115.771 -4.33 . . . . 0.0 111.886 164.665 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 -96.67 141.82 29.45 Favored 'General case' 0 CA--C 1.583 2.241 0 O-C-N 118.825 -2.422 . . . . 0.0 117.259 173.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 17' ' ' PHE . . . . . . . . . . . . . 49.3 m-85 -134.85 160.59 37.76 Favored 'General case' 0 N--CA 1.508 2.44 0 C-N-CA 127.832 2.453 . . . . 0.0 108.021 -172.393 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 18' ' ' GLU . . . . . . . . . . . . . 17.5 mp0 -117.15 154.35 31.23 Favored 'General case' 0 CA--C 1.573 1.863 0 CA-C-O 116.344 -1.789 . . . . 0.0 111.397 166.597 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 19' ' ' TYR . . . . . . . . . . . . . 51.6 p90 -150.59 155.98 40.49 Favored 'General case' 0 C--N 1.391 2.376 0 O-C-N 125.505 1.753 . . . . 0.0 115.023 171.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 20' ' ' LEU . . . . . . . . . . . . . 37.6 tp -94.91 132.26 39.93 Favored 'General case' 0 C--N 1.307 -1.24 1 C-N-CA 135.085 5.354 . . . . 0.0 112.534 162.066 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 21' ' ' SER . . . . . . . . . . . . . 17.1 t -137.74 128.77 27.4 Favored 'General case' 1 N--CA 1.542 4.142 0 C-N-CA 127.825 2.45 . . . . 0.0 107.285 169.727 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 22' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -149.08 157.17 43.18 Favored 'General case' 0 N--CA 1.427 -1.575 0 CA-C-O 123.28 1.514 . . . . 0.0 111.97 171.636 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 23' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -147.52 128.48 14.49 Favored 'General case' 0 CA--C 1.605 3.093 0 CA-C-N 112.564 -2.107 . . . . 0.0 111.558 -172.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 24' ' ' SER . . . . . . . . . . . . . 13.4 t -73.53 153.66 40.19 Favored 'General case' 0 CA--C 1.477 -1.864 0 O-C-N 116.341 -3.974 . . . . 0.0 115.16 169.541 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 25' ' ' ILE . . . . . . . . . . . . 0.293 86.9 mt -61.23 143.3 92.76 Favored Pre-proline 0 C--O 1.174 -2.887 0 CA-C-N 110.686 -2.961 . . . . 0.0 113.536 -177.279 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 26' ' ' PRO . . . . . . . . . . . . . 11.3 Cg_endo -69.11 129.79 18.94 Favored 'Trans proline' 0 N--CA 1.517 2.889 0 C-N-CA 124.502 3.468 . . . . 0.0 108.072 -171.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 27' ' ' LEU . . . . . . . . . . . . . 5.4 tp -132.35 141.23 48.84 Favored 'General case' 0 C--O 1.272 2.244 0 C-N-CA 131.274 3.829 . . . . 0.0 112.571 -159.554 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 28' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -60.31 124.98 21.96 Favored 'General case' 0 CA--C 1.476 -1.902 0 C-N-CA 129.15 2.98 . . . . 0.0 118.762 174.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 29' ' ' THR . . . . . . . . . . . . . 6.1 t -136.73 163.99 29.31 Favored 'General case' 0 C--N 1.385 2.132 0 CA-C-N 119.582 1.083 . . . . 0.0 113.822 176.546 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 30' ' ' HIS . . . . . . . . . . . . . 18.1 p-80 -77.87 168.24 20.24 Favored 'General case' 0 CA--C 1.591 2.524 0 CA-C-N 114.893 -1.049 . . . . 0.0 108.275 166.22 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 31' ' ' ALA . . . . . . . . . . . . . . . -51.89 135.55 30.0 Favored 'General case' 0 N--CA 1.499 2.006 0 N-CA-C 116.932 2.197 . . . . 0.0 116.932 176.141 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 32' ' ' VAL . . . . . . . . . . . . . 5.0 p -68.42 -21.45 26.34 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.114 0 C-N-CA 125.233 1.413 . . . . 0.0 113.198 179.429 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 33' ' ' VAL . . . . . . . . . . . . . 9.2 p -131.67 149.19 32.67 Favored 'Isoleucine or valine' 0 CA--C 1.591 2.541 0 O-C-N 118.928 -2.357 . . . . 0.0 110.744 165.489 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 34' ' ' THR . . . . . . . . . . . . . 31.5 m -73.74 121.14 84.45 Favored Pre-proline 0 N--CA 1.521 3.088 0 C-N-CA 118.382 -1.327 . . . . 0.0 111.73 176.658 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 35' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_endo -62.02 150.4 86.59 Favored 'Trans proline' 0 N--CA 1.509 2.414 0 C-N-CA 125.227 3.951 . . . . 0.0 110.41 176.064 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 36' ' ' ASN . . . . . . . . . . . . . 38.0 t-20 -84.09 138.91 32.8 Favored 'General case' 0 C--O 1.195 -1.797 0 O-C-N 118.09 -2.881 . . . . 0.0 107.392 173.531 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 37' ' ' LYS . . . . . . . . . . . . . 36.8 mttp -54.01 -32.72 55.12 Favored 'General case' 0 C--O 1.247 0.962 0 O-C-N 120.357 -1.464 . . . . 0.0 111.48 175.437 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 38' ' ' ASP . . . . . . . . . . . . . 47.3 m-20 -64.31 -9.95 20.95 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 115.977 1.843 . . . . 0.0 115.977 -179.595 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 62.2 t0 -92.39 137.04 32.7 Favored 'General case' 0 N--CA 1.486 1.371 0 N-CA-C 116.494 2.035 . . . . 0.0 116.494 -162.623 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 40' ' ' LYS . . . . . . . . . . . . . 25.6 tptp -55.25 -41.14 71.77 Favored 'General case' 0 CA--C 1.598 2.816 0 O-C-N 118.12 -2.863 . . . . 0.0 112.555 170.205 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 41' ' ' ARG . . . . . . . . . . . . . 79.6 mtm180 -70.39 158.36 36.12 Favored 'General case' 0 N--CA 1.502 2.164 0 CA-C-N 122.354 2.343 . . . . 0.0 112.841 -175.259 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 96.7 t -128.54 130.77 23.51 Favored Pre-proline 0 C--N 1.385 2.109 0 CA-C-O 114.142 -2.837 . . . . 0.0 111.21 157.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 43' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_endo -68.38 80.03 0.59 Allowed 'Trans proline' 0 CA--C 1.542 0.91 0 C-N-CA 123.684 2.923 . . . . 0.0 105.254 173.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 44' ' ' LYS . . . . . . . . . . . . . 73.4 tttt -70.06 -28.49 65.48 Favored 'General case' 0 N--CA 1.508 2.442 0 C-N-CA 128.278 2.631 . . . . 0.0 109.812 -165.457 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 45' ' ' SER . . . . . . . . . . . . . 8.7 t -149.66 131.34 14.97 Favored 'General case' 0 CA--C 1.479 -1.788 0 O-C-N 125.036 1.46 . . . . 0.0 114.355 163.634 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 46' ' ' THR . . . . . . . . . . . . . 10.9 m -116.44 138.8 51.08 Favored 'General case' 0 N--CA 1.501 2.104 0 C-N-CA 116.049 -2.261 . . . . 0.0 110.546 170.669 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 5.2 mp -123.98 139.2 51.13 Favored 'Isoleucine or valine' 0 N--CA 1.539 3.995 0 CA-C-O 115.114 -2.374 . . . . 0.0 108.362 -178.157 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 48' ' ' LYS . . . . . . . . . . . . . 17.5 pttt -130.56 164.66 24.41 Favored 'General case' 0 C--N 1.41 3.199 0 CA-C-N 123.788 2.995 . . . . 0.0 112.866 173.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 49' ' ' THR . . . . . . . . . . . . . 15.3 t -158.97 174.26 15.23 Favored 'General case' 0 CA--C 1.577 2.004 0 O-C-N 119.211 -2.18 . . . . 0.0 113.178 152.533 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -116.13 144.52 44.05 Favored 'General case' 0 CA--C 1.562 1.423 0 C-N-CA 128.068 2.547 . . . . 0.0 117.729 170.425 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 51' ' ' HIS . . . . . . . . . . . . . 5.9 t60 -126.54 138.95 53.54 Favored 'General case' 0 N--CA 1.508 2.459 0 CA-C-O 124.201 1.953 . . . . 0.0 108.736 -179.224 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 52' ' ' PHE . . . . . . . . . . . . . 40.0 t80 -125.44 146.98 49.38 Favored 'General case' 0 CA--C 1.487 -1.48 0 CA-C-N 110.892 -2.867 . . . . 0.0 104.822 -167.094 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 53' ' ' PHE . . . . . . . . . . . . . 91.3 t80 -147.67 137.88 22.99 Favored 'General case' 0 CA--C 1.569 1.708 0 CA-C-N 120.981 1.719 . . . . 0.0 111.71 -175.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 54' ' ' SER . . . . . . . . . . . . . 58.8 m -141.19 131.97 25.79 Favored 'General case' 0 C--N 1.384 2.097 0 CA-C-N 121.43 1.923 . . . . 0.0 115.575 165.127 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 49.0 tp -107.5 128.95 54.96 Favored 'General case' 0 N--CA 1.507 2.401 0 N-CA-C 108.358 -0.979 . . . . 0.0 108.358 -174.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 56' ' ' PHE . . . . . . . . . . . . . 26.5 m-85 -113.92 133.15 55.64 Favored 'General case' 0 N--CA 1.416 -2.141 0 C-N-CA 131.141 3.777 . . . . 0.0 111.115 -171.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 57' ' ' HIS . . . . . . . . . . . . . 11.5 t-160 -135.22 134.01 39.61 Favored 'General case' 0 N--CA 1.435 -1.188 0 O-C-N 119.984 -1.697 . . . . 0.0 111.084 172.132 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 58' ' ' GLN . . . . . . . . . . . . 0.335 13.5 mt-30 60.14 41.34 17.11 Favored 'General case' 0 C--N 1.278 -2.501 0 O-C-N 118.048 -2.907 . . . . 0.0 114.642 174.772 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 59' ' ' GLY . . . . . . . . . . . . . . . 85.93 12.27 71.73 Favored Glycine 0 CA--C 1.551 2.324 0 O-C-N 119.337 -2.102 . . . . 0.0 114.665 175.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 60' ' ' LYS . . . . . 0.488 ' HE3' ' SG ' ' C' ' 94' ' ' CYS . 42.5 mtmt -156.86 155.02 30.77 Favored 'General case' 0 C--N 1.363 1.186 0 C-N-CA 130.264 3.426 . . . . 0.0 111.925 -161.44 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 61' ' ' VAL . . . . . . . . . . . . . 8.2 p -93.44 140.17 16.89 Favored 'Isoleucine or valine' 0 C--O 1.257 1.498 0 CA-C-O 117.288 -1.339 . . . . 0.0 110.842 -178.523 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 62' ' ' PHE . . . . . . . . . . . . 0.25 0.1 OUTLIER -125.59 -9.96 6.8 Favored 'General case' 0 C--N 1.314 -0.966 0 N-CA-C 121.178 3.769 . . . . 0.0 121.178 175.367 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' C' C ' 63' ' ' PHE . . . . . . . . . . . . . 26.9 t80 -144.13 155.35 43.9 Favored 'General case' 0 N--CA 1.488 1.441 0 CA-C-O 117.466 -1.254 . . . . 0.0 112.786 166.386 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 64' ' ' SER . . . . . . . . . . . . . 10.1 p -139.87 147.09 40.15 Favored 'General case' 0 CA--C 1.58 2.134 0 C-N-CA 128.322 2.649 . . . . 0.0 106.533 163.7 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 65' ' ' LEU . . . . . . . . . . . . . 10.7 tp -143.51 150.44 38.94 Favored 'General case' 0 CA--C 1.548 0.892 0 CA-C-N 113.527 -1.67 . . . . 0.0 111.693 172.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 66' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -144.7 128.79 17.6 Favored 'General case' 0 C--N 1.414 3.382 0 C-N-CA 131.091 3.756 . . . . 0.0 107.277 -169.533 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 67' ' ' VAL . . . . . . . . . . . . . 87.8 t -156.51 137.73 5.21 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.856 0 C-N-CA 129.344 3.057 . . . . 0.0 112.623 -167.606 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 68' ' ' TYR . . . . . . . . . . . . . 80.1 m-85 -105.87 149.84 26.17 Favored 'General case' 0 N--CA 1.398 -3.035 0 O-C-N 128.008 3.318 . . . . 0.0 104.493 178.637 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 69' ' ' VAL . . . . . . . . . . . . . 99.7 t -130.84 143.48 40.74 Favored 'Isoleucine or valine' 0 C--N 1.346 0.443 0 O-C-N 116.532 -3.855 . . . . 0.0 113.181 170.265 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 70' ' ' TYR . . . . . . . . . . . . . 55.4 m-85 -133.35 145.05 50.02 Favored 'General case' 0 C--O 1.245 0.868 0 N-CA-C 106.662 -1.607 . . . . 0.0 106.662 -171.334 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 71' ' ' VAL . . . . . . . . . . . . . 27.4 t -122.85 129.47 75.12 Favored 'Isoleucine or valine' 0 CA--C 1.569 1.674 0 O-C-N 126.335 2.272 . . . . 0.0 112.256 161.479 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 72' ' ' THR . . . . . . . . . . . . . 90.7 m -108.44 114.7 28.75 Favored 'General case' 0 N--CA 1.442 -0.838 0 C-N-CA 126.322 1.849 . . . . 0.0 110.533 174.009 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 73' ' ' LEU . . . . . . . . . . . . . 37.7 mt -92.91 121.59 34.43 Favored 'General case' 0 N--CA 1.436 -1.159 0 CA-C-O 124.602 2.144 . . . . 0.0 109.779 168.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 74' ' ' TRP . . . . . . . . . . . . . 74.9 m95 -83.48 154.66 23.79 Favored 'General case' 0 N--CA 1.495 1.814 0 CA-C-N 112.574 -2.103 . . . . 0.0 115.245 170.468 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 54.5 p-10 -63.22 -24.98 68.12 Favored 'General case' 0 C--O 1.293 3.388 0 O-C-N 127.03 2.706 . . . . 0.0 111.912 177.09 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 76' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -148.67 -26.59 0.31 Allowed 'General case' 0 N--CA 1.517 2.887 0 O-C-N 119.032 -2.293 . . . . 0.0 112.226 -179.29 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 77' ' ' ALA . . . . . . . . . . . . . . . -82.35 26.36 0.55 Allowed 'General case' 0 N--CA 1.493 1.718 0 O-C-N 120.268 -1.52 . . . . 0.0 113.351 -177.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 78' ' ' ASP . . . . . . . . . . . . 0.312 37.9 m-20 59.1 -103.07 0.16 Allowed 'General case' 0 C--N 1.291 -1.962 0 CA-C-O 115.077 -2.392 . . . . 0.0 115.677 -178.398 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 79' ' ' ALA . . . . . . . . . . . . . . . -164.42 158.01 18.0 Favored 'General case' 0 C--N 1.307 -1.259 0 O-C-N 126.799 2.562 . . . . 0.0 116.99 -162.259 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 80' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -155.43 137.69 14.8 Favored 'General case' 0 N--CA 1.443 -0.818 0 C-N-CA 127.401 2.28 . . . . 0.0 112.426 178.577 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 81' ' ' ARG . . . . . . . . . . . . . 21.3 ptt180 -104.79 149.65 25.46 Favored 'General case' 0 C--N 1.378 1.824 0 O-C-N 126.328 2.267 . . . . 0.0 110.805 175.105 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 82' ' ' LEU . . . . . . . . . . . . . 2.0 tp -135.75 136.35 40.7 Favored 'General case' 0 CA--C 1.476 -1.887 0 O-C-N 124.382 1.052 . . . . 0.0 109.707 179.004 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 83' ' ' ILE . . . . . . . . . . . . . 48.0 mt -103.14 133.94 45.61 Favored 'Isoleucine or valine' 0 CA--C 1.573 1.863 0 N-CA-C 107.26 -1.385 . . . . 0.0 107.26 168.225 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 84' ' ' PHE . . . . . . . . . . . . . 34.2 t80 -118.63 130.2 55.73 Favored 'General case' 0 N--CA 1.432 -1.345 0 CA-C-N 123.43 2.832 . . . . 0.0 111.167 162.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 85' ' ' VAL . . . . . . . . . . . . . 30.2 t -96.7 125.86 49.55 Favored 'Isoleucine or valine' 0 CA--C 1.566 1.59 0 O-C-N 126.128 2.143 . . . . 0.0 112.455 177.739 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 86' ' ' SER . . . . . . . . . . . . . 39.6 t -86.17 -53.56 4.98 Favored 'General case' 0 N--CA 1.504 2.267 0 O-C-N 127.401 2.938 . . . . 0.0 114.146 179.287 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 87' ' ' LYS . . . . . . . . . . . . . 10.4 mttm -158.77 159.09 34.79 Favored 'General case' 0 N--CA 1.5 2.054 0 CA-C-O 117.673 -1.156 . . . . 0.0 109.686 -165.438 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 88' ' ' ALA . . . . . . . . . . . . . . . -155.98 154.32 30.91 Favored 'General case' 0 C--N 1.38 1.929 0 CA-C-O 123.619 1.676 . . . . 0.0 111.793 162.023 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 89' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -154.98 149.98 26.86 Favored 'General case' 0 C--O 1.204 -1.318 0 O-C-N 117.449 -3.282 . . . . 0.0 116.264 -175.666 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 90' ' ' THR . . . . . . . . . . . . . 25.3 p -125.4 171.1 10.72 Favored 'General case' 0 CA--C 1.568 1.672 0 C-N-CA 131.299 3.84 . . . . 0.0 111.838 177.749 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 91' ' ' ASN . . . . . . . . . . . . . 24.8 p30 -144.74 -23.85 0.51 Allowed 'General case' 0 C--O 1.276 2.459 0 C-N-CA 116.307 -2.157 . . . . 0.0 113.236 -176.42 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 92' ' ' GLY . . . . . . . . . . . . . . . 91.24 16.07 54.3 Favored Glycine 0 CA--C 1.485 -1.833 0 CA-C-O 116.727 -2.152 . . . . 0.0 113.657 174.111 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 93' ' ' TYR . . . . . . . . . . . . . 71.8 m-85 -107.08 -1.11 22.39 Favored 'General case' 0 N--CA 1.496 1.871 1 CA-C-N 125.805 4.802 . . . . 0.0 113.585 -172.859 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 94' ' ' CYS . . . . . 0.488 ' SG ' ' HE3' ' C' ' 60' ' ' LYS . 0.7 OUTLIER -138.56 160.12 40.37 Favored 'General case' 0 CA--C 1.618 3.569 0 N-CA-C 106.422 -1.696 . . . . 0.0 106.422 150.72 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' C' C ' 95' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -143.26 149.09 37.41 Favored 'General case' 0 C--N 1.305 -1.334 0 C-N-CA 129.314 3.046 . . . . 0.0 110.67 -171.353 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 96' ' ' THR . . . . . . . . . . . . . 9.4 t -168.04 161.38 12.65 Favored 'General case' 0 N--CA 1.488 1.437 0 CA-C-O 123.427 1.584 . . . . 0.0 110.996 178.731 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 47.0 mmm-85 -71.73 44.97 0.11 Allowed 'General case' 0 N--CA 1.532 3.631 0 CA-C-O 127.047 3.308 . . . . 0.0 111.942 -172.616 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 98' ' ' VAL . . . . . . . . . . . . . 2.6 p -149.92 132.98 7.02 Favored 'Isoleucine or valine' 0 C--N 1.405 3.005 0 O-C-N 117.214 -3.429 . . . . 0.0 109.213 174.514 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 99' ' ' SER . . . . . . . . . . . . . 42.9 t -81.9 139.92 34.38 Favored 'General case' 0 CA--C 1.483 -1.597 0 O-C-N 120.421 -1.424 . . . . 0.0 111.789 171.328 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 100' ' ' VAL . . . . . . . . . . . . . 14.1 m -54.06 -21.86 6.53 Favored 'Isoleucine or valine' 0 N--CA 1.515 2.819 0 O-C-N 127.077 2.736 . . . . 0.0 114.35 171.126 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 101' ' ' ARG . . . . . . . . . . . . . 59.6 ttp180 -46.5 -45.83 18.68 Favored 'General case' 0 C--N 1.376 1.725 0 CA-C-N 120.95 1.704 . . . . 0.0 114.367 162.367 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 102' ' ' ASP . . . . . . . . . . . . . 44.6 m-20 -85.95 -26.35 25.56 Favored 'General case' 0 N--CA 1.416 -2.163 0 CA-C-O 114.281 -2.771 . . . . 0.0 113.525 -171.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 103' ' ' ILE . . . . . . . . . . . . . 24.2 mm -53.28 -39.92 37.05 Favored 'Isoleucine or valine' 0 N--CA 1.411 -2.383 0 O-C-N 126.313 2.258 . . . . 0.0 116.639 153.166 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 104' ' ' THR . . . . . . . . . . . . . 32.7 m -71.93 -51.48 21.88 Favored 'General case' 0 CA--C 1.48 -1.728 0 O-C-N 118.741 -2.474 . . . . 0.0 112.194 -179.747 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 105' ' ' LYS . . . . . . . . . . . . . 12.8 tmtt? -51.72 -46.83 64.1 Favored 'General case' 0 CA--C 1.559 1.308 0 O-C-N 125.928 2.017 . . . . 0.0 116.166 167.007 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 106' ' ' ILE . . . . . . . . . . . . . 10.0 tp -75.66 -37.67 36.71 Favored 'Isoleucine or valine' 0 CA--C 1.592 2.582 0 O-C-N 118.421 -2.675 . . . . 0.0 110.205 -168.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 107' ' ' ILE . . . . . . . . . . . . . 19.9 mm -61.72 -40.02 85.33 Favored 'Isoleucine or valine' 0 C--N 1.363 1.157 0 C-N-CA 126.444 1.898 . . . . 0.0 108.238 169.67 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 108' ' ' LEU . . . . . . . . . . . . . 57.0 mt -63.07 -26.17 68.71 Favored 'General case' 0 N--CA 1.504 2.225 0 CA-C-O 114.993 -2.432 . . . . 0.0 113.36 174.312 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 109' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -77.34 -38.35 50.49 Favored 'General case' 0 CA--C 1.577 1.982 0 O-C-N 125.597 1.811 . . . . 0.0 110.568 179.516 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 110' ' ' PHE . . . . . . . . . . . . . 85.5 t80 -58.79 -47.69 83.85 Favored 'General case' 0 C--N 1.353 0.737 0 O-C-N 126.315 2.259 . . . . 0.0 112.92 171.406 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 111' ' ' ILE . . . . . . . . . . . . . 40.8 mm -61.42 -46.69 96.07 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.284 0 O-C-N 118.198 -2.814 . . . . 0.0 114.066 167.059 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 112' ' ' LEU . . . . . . . . . . . . . 20.0 tp -58.64 -35.36 72.39 Favored 'General case' 0 C--O 1.204 -1.328 0 N-CA-C 115.853 1.798 . . . . 0.0 115.853 174.199 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 113' ' ' SER . . . . . . . . . . . . . 48.6 m -73.6 -11.18 60.34 Favored 'General case' 0 CA--C 1.563 1.464 0 N-CA-C 119.853 3.279 . . . . 0.0 119.853 171.238 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 114' ' ' ILE . . . . . . . . . . . . . 15.3 mt -60.87 130.09 24.39 Favored 'Isoleucine or valine' 0 N--CA 1.522 3.156 0 O-C-N 127.147 2.78 . . . . 0.0 110.654 171.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 115' ' ' ASP . . . . . . . . . . . . . 36.8 t0 -71.01 127.4 91.7 Favored Pre-proline 0 N--CA 1.425 -1.69 0 CA-C-O 114.763 -2.541 . . . . 0.0 105.283 172.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 116' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -61.93 -21.29 72.0 Favored 'Trans proline' 0 C--N 1.408 3.693 0 CA-C-N 121.42 1.543 . . . . 0.0 111.055 -174.148 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 117' ' ' ASN . . . . . . . . . . . . . 12.9 m-80 -62.2 -18.44 61.06 Favored 'General case' 0 N--CA 1.483 1.198 0 N-CA-C 115.555 1.687 . . . . 0.0 115.555 174.015 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 118' ' ' TYR . . . . . . . . . . . . . 77.0 t80 -63.13 -14.84 53.42 Favored 'General case' 0 N--CA 1.525 3.325 0 N-CA-C 115.968 1.84 . . . . 0.0 115.968 167.062 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 119' ' ' TYR . . . . . . . . . . . . . 56.2 m-85 -108.64 -1.05 19.84 Favored 'General case' 0 N--CA 1.532 3.655 0 CA-C-O 113.636 -3.078 . . . . 0.0 110.742 177.091 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 120' ' ' LEU . . . . . . . . . . . . . 60.4 mt -118.78 -25.66 6.29 Favored 'General case' 0 C--N 1.275 -2.639 0 CA-C-O 114.152 -2.833 . . . . 0.0 111.991 -169.37 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 121' ' ' GLN . . . . . . . . . . . . . 21.4 pt20 -66.98 -30.72 70.91 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 123.153 2.706 . . . . 0.0 111.33 -168.453 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 122' ' ' LYS . . . . . 0.461 ' HE2' ' CE1' ' C' ' 176' ' ' TYR . 74.1 tttt -152.03 130.92 12.5 Favored 'General case' 0 N--CA 1.538 3.939 0 C-N-CA 127.66 2.384 . . . . 0.0 111.064 171.809 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 123' ' ' VAL . . . . . . . . . . . . . 76.2 t -140.58 140.42 33.92 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.807 0 O-C-N 120.135 -1.603 . . . . 0.0 107.765 -161.33 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 124' ' ' LYS . . . . . . . . . . . . . 65.6 tttp -78.19 115.52 51.54 Favored Pre-proline 0 C--N 1.307 -1.265 0 C-N-CA 123.904 0.881 . . . . 0.0 111.514 -174.043 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 125' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo -72.71 158.36 50.61 Favored 'Trans proline' 0 C--N 1.402 3.347 0 CA-C-O 122.939 1.141 . . . . 0.0 113.283 -174.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 126' ' ' ALA . . . . . . . . . . . . . . . -59.46 -41.61 90.1 Favored 'General case' 0 CA--C 1.576 1.944 0 O-C-N 120.024 -1.672 . . . . 0.0 114.794 176.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 127' ' ' ILE . . . . . . . . . . . . . 9.2 tp -137.49 159.04 35.12 Favored 'Isoleucine or valine' 0 CA--C 1.564 1.496 1 C-N-CA 132.532 4.333 . . . . 0.0 107.402 179.278 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 128' ' ' ARG . . . . . . . . . . . . . 64.9 mtt180 -143.73 155.88 44.34 Favored 'General case' 0 CA--C 1.475 -1.919 0 O-C-N 125.538 1.774 . . . . 0.0 113.634 -175.118 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 129' ' ' SER . . . . . . . . . . . . . 6.1 t -115.56 128.68 56.14 Favored 'General case' 0 N--CA 1.477 0.907 0 CA-C-N 115.316 -0.857 . . . . 0.0 113.261 177.55 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 130' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 -121.21 -7.98 9.29 Favored 'General case' 0 N--CA 1.508 2.451 0 CA-C-O 117.13 -1.414 . . . . 0.0 110.203 -160.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 131' ' ' LYS . . . . . . . . . . . . . 45.1 pttt -133.85 3.56 3.5 Favored 'General case' 0 N--CA 1.512 2.673 0 C-N-CA 129.002 2.921 . . . . 0.0 112.824 -173.741 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 132' ' ' LYS . . . . . . . . . . . . . 7.7 ptmt -65.66 -28.5 69.14 Favored 'General case' 0 C--N 1.305 -1.33 0 N-CA-C 115.854 1.798 . . . . 0.0 115.854 -173.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 133' ' ' ILE . . . . . . . . . . . . . 4.0 pt -147.79 165.34 5.74 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.267 0 C-N-CA 127.503 2.321 . . . . 0.0 112.304 175.37 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 134' ' ' SER . . . . . . . . . . . . . 10.8 t -122.06 129.08 25.27 Favored Pre-proline 0 C--O 1.209 -1.039 0 CA-C-N 121.002 1.728 . . . . 0.0 112.44 -149.2 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 135' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_exo -71.29 147.91 88.72 Favored 'Cis proline' 0 N--CA 1.517 2.879 0 N-CA-C 118.524 2.471 . . . . 0.0 118.524 7.262 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 136' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -75.83 152.06 37.34 Favored 'General case' 0 C--O 1.292 3.335 0 O-C-N 125.306 1.628 . . . . 0.0 111.883 172.735 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 137' ' ' LEU . . . . . . . . . . . . . 6.1 mp -99.39 129.89 45.62 Favored 'General case' 0 N--CA 1.429 -1.489 0 C-N-CA 129.515 3.126 . . . . 0.0 112.277 -168.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 138' ' ' ILE . . . . . . . . . . . . . 89.5 mt -71.47 111.87 5.94 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.791 0 CA-C-O 126.444 3.021 . . . . 0.0 116.906 166.407 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 139' ' ' SER . . . . . . . . . . . . . 10.2 p -147.38 177.82 8.92 Favored 'General case' 0 N--CA 1.513 2.702 0 O-C-N 117.57 -3.206 . . . . 0.0 112.252 -175.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 140' ' ' ALA . . . . . . . . . . . . . . . -66.35 9.69 0.15 Allowed 'General case' 0 C--O 1.268 2.034 0 N-CA-C 118.193 2.664 . . . . 0.0 118.193 161.338 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 141' ' ' ALA . . . . . . . . . . . . . . . -95.27 -15.83 22.9 Favored 'General case' 0 C--O 1.26 1.623 0 O-C-N 120.969 -1.082 . . . . 0.0 112.683 160.222 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 142' ' ' SER . . . . . . . . . . . . . 24.8 m -87.68 139.4 30.57 Favored 'General case' 0 C--O 1.256 1.396 0 O-C-N 118.869 -2.394 . . . . 0.0 105.663 167.395 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 143' ' ' THR . . . . . 0.461 ' HB ' ' HD2' ' C' ' 144' ' ' PRO . 43.4 p -62.59 169.87 2.85 Favored Pre-proline 0 CA--C 1.575 1.912 0 CA-C-N 119.303 0.956 . . . . 0.0 112.476 170.009 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 144' ' ' PRO . . . . . 0.461 ' HD2' ' HB ' ' C' ' 143' ' ' THR . 1.6 Cg_endo -64.45 -34.23 54.62 Favored 'Trans proline' 0 CA--C 1.541 0.826 0 CA-C-O 116.33 -1.613 . . . . 0.0 111.53 171.752 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 145' ' ' ALA . . . . . . . . . . . . . . . -59.8 -56.85 16.62 Favored 'General case' 0 C--O 1.203 -1.361 0 CA-C-N 119.866 1.212 . . . . 0.0 111.542 171.56 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 146' ' ' ARG . . . . . . . . . . . . . 27.7 ttt-85 -68.01 -28.3 67.29 Favored 'General case' 0 CA--C 1.497 -1.061 0 CA-C-O 112.821 -3.466 . . . . 0.0 118.692 177.506 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 147' ' ' THR . . . . . . . . . . . . . 63.8 m -52.59 -53.14 50.75 Favored 'General case' 0 C--O 1.255 1.377 0 O-C-N 128.136 3.397 . . . . 0.0 114.186 160.189 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 148' ' ' LEU . . . . . 0.434 HD23 ' HB3' ' B' ' 18' ' ' LEU . 9.2 mp -77.06 -27.01 54.18 Favored 'General case' 0 CA--C 1.606 3.129 0 C-N-CA 126.856 2.062 . . . . 0.0 111.446 -177.009 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 149' ' ' ARG . . . . . . . . . . . . . 37.0 mtt180 -68.88 -37.89 79.33 Favored 'General case' 0 CA--C 1.572 1.815 0 C-N-CA 124.889 1.276 . . . . 0.0 113.173 169.023 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 150' ' ' ILE . . . . . . . . . . . . . 21.1 mt -75.43 -42.18 42.72 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.338 0 O-C-N 124.159 0.912 . . . . 0.0 109.47 176.138 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 151' ' ' LEU . . . . . . . . . . . . . 66.8 mt -49.35 -53.43 22.34 Favored 'General case' 0 N--CA 1.509 2.494 0 O-C-N 116.788 -3.695 . . . . 0.0 113.351 167.068 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 152' ' ' ALA . . . . . . . . . . . . . . . -64.98 -23.38 67.2 Favored 'General case' 0 C--O 1.194 -1.843 0 O-C-N 119.524 -1.985 . . . . 0.0 113.443 176.101 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 153' ' ' ARG . . . . . . . . . . . . . 16.0 ttm180 -77.4 -47.21 20.41 Favored 'General case' 0 CA--C 1.575 1.942 0 CA-C-O 114.1 -2.857 . . . . 0.0 113.135 168.462 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 154' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -60.98 -38.42 85.92 Favored 'General case' 0 CA--C 1.481 -1.697 0 CA-C-N 121.187 1.812 . . . . 0.0 114.197 177.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 155' ' ' LEU . . . . . . . . . . . . . 25.9 mt -72.18 -38.44 69.11 Favored 'General case' 0 CA--C 1.584 2.28 0 O-C-N 116.945 -3.597 . . . . 0.0 109.88 177.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 156' ' ' LYS . . . . . . . . . . . . . 32.7 ttpt -77.4 -47.39 19.94 Favored 'General case' 0 CA--C 1.536 0.415 1 O-C-N 116.294 -4.004 . . . . 0.0 113.032 -176.429 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 157' ' ' GLN . . . . . . . . . . . . . 29.5 mm100 -80.56 -47.91 13.5 Favored 'General case' 0 C--O 1.206 -1.226 0 O-C-N 118.405 -2.684 . . . . 0.0 108.676 177.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 158' ' ' SER . . . . . . . . . . . . . 1.3 m -110.09 -8.45 14.8 Favored 'General case' 0 C--O 1.243 0.722 0 CA-C-N 122.782 2.537 . . . . 0.0 113.652 -160.314 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 159' ' ' GLY . . . . . . . . . . . . . . . 87.05 -6.87 82.5 Favored Glycine 0 C--O 1.259 1.671 1 C-N-CA 132.93 5.062 . . . . 0.0 117.697 170.115 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 160' ' ' SER . . . . . . . . . . . . . 41.0 t -149.33 149.65 31.23 Favored 'General case' 0 C--N 1.402 2.865 0 O-C-N 127.437 2.492 . . . . 0.0 107.387 -174.093 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 161' ' ' THR . . . . . . . . . . . . . 63.4 p -68.6 -31.62 70.94 Favored 'General case' 0 CA--C 1.559 1.292 0 CA-C-N 120.862 1.665 . . . . 0.0 113.665 164.303 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 162' ' ' VAL . . . . . . . . . . . . . 16.2 t -65.05 132.17 30.86 Favored 'Isoleucine or valine' 0 CA--C 1.564 1.506 0 O-C-N 128.714 3.759 . . . . 0.0 112.876 179.35 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 163' ' ' LEU . . . . . . . . . . . . . 16.6 mt -120.89 131.86 54.63 Favored 'General case' 0 N--CA 1.455 -0.197 0 O-C-N 119.168 -2.208 . . . . 0.0 113.446 166.114 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 164' ' ' LYS . . . . . . . . . . . . . 34.1 tptt -82.0 -31.65 30.97 Favored 'General case' 0 N--CA 1.423 -1.8 0 C-N-CA 127.804 2.442 . . . . 0.0 111.329 173.072 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 165' ' ' GLU . . . . . . . . . . . . . 29.3 tp10 -61.2 -45.54 94.14 Favored 'General case' 0 CA--C 1.585 2.302 0 CA-C-O 125.313 2.483 . . . . 0.0 115.226 -170.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 166' ' ' ILE . . . . . . . . . . . . . 1.9 pp -63.88 0.92 0.49 Allowed 'Isoleucine or valine' 0 C--O 1.281 2.719 0 CA-C-O 125.413 2.53 . . . . 0.0 116.572 -177.759 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 167' ' ' GLU . . . . . . . . . . . . . 82.4 mt-10 -86.7 -18.79 30.34 Favored 'General case' 0 C--O 1.294 3.424 0 O-C-N 118.567 -2.583 . . . . 0.0 110.864 171.575 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 168' ' ' SER . . . . . . . . . . . . . 97.2 p -66.73 160.77 66.25 Favored Pre-proline 0 N--CA 1.488 1.463 0 N-CA-C 116.368 1.988 . . . . 0.0 116.368 -176.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 169' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_exo -68.29 -34.84 20.33 Favored 'Trans proline' 0 CA--C 1.565 2.052 0 C-N-CA 122.984 2.456 . . . . 0.0 115.753 -158.418 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 170' ' ' ARG . . . . . . . . . . . . . 20.1 ptt85 -69.19 -12.46 61.69 Favored 'General case' 0 N--CA 1.494 1.729 0 CA-C-O 115.937 -1.982 . . . . 0.0 110.547 178.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 171' ' ' PHE . . . . . . . . . . . . . 53.7 m-85 -80.73 -50.02 10.42 Favored 'General case' 0 N--CA 1.512 2.651 0 CA-C-O 124.188 1.947 . . . . 0.0 112.664 163.404 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 172' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -72.23 -25.1 61.5 Favored 'General case' 0 N--CA 1.534 3.769 0 O-C-N 119.07 -2.269 . . . . 0.0 113.4 -171.369 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 173' ' ' GLN . . . . . . . . . . . . . 41.5 tt0 -49.85 -27.61 5.37 Favored 'General case' 0 C--O 1.281 2.748 0 CA-C-O 115.294 -2.288 . . . . 0.0 110.745 172.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 174' ' ' ASP . . . . . . . . . . . . . 68.5 m-20 -114.88 -42.68 3.2 Favored 'General case' 0 N--CA 1.425 -1.691 0 C-N-CA 128.168 2.587 . . . . 0.0 112.21 -174.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 175' ' ' LEU . . . . . . . . . . . . . 68.6 mt -71.71 -19.67 62.03 Favored 'General case' 0 N--CA 1.53 3.552 0 C-N-CA 126.844 2.058 . . . . 0.0 110.229 -171.348 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 176' ' ' TYR . . . . . 0.461 ' CE1' ' HE2' ' C' ' 122' ' ' LYS . 75.4 m-85 -139.97 142.06 36.38 Favored 'General case' 0 C--O 1.252 1.193 0 C-N-CA 125.847 1.659 . . . . 0.0 112.371 -176.527 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 177' ' ' LEU . . . . . . . . . . . . . 18.2 mt -91.05 155.37 18.72 Favored 'General case' 0 N--CA 1.529 3.517 0 N-CA-C 106.753 -1.573 . . . . 0.0 106.753 162.667 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 178' ' ' SER . . . . . . . . . . . . . 47.1 t -156.08 132.71 10.3 Favored 'General case' 0 N--CA 1.422 -1.836 0 CA-C-O 123.853 1.787 . . . . 0.0 109.072 175.132 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 179' ' ' PHE . . . . . . . . . . . . . 68.7 m-85 -137.76 161.77 35.68 Favored 'General case' 0 CA--C 1.563 1.46 0 CA-C-N 111.508 -2.587 . . . . 0.0 110.734 -171.415 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 180' ' ' THR . . . . . . . . . . . . . 11.6 m -141.32 136.73 31.82 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 119.19 -2.193 . . . . 0.0 113.523 175.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 181' ' ' CYS . . . . . . . . . . . . . 12.6 p -144.0 172.41 5.57 Favored Pre-proline 0 N--CA 1.507 2.388 0 CA-C-N 121.757 2.071 . . . . 0.0 111.461 173.062 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 182' ' ' PRO . . . . . . . . . . . . . 27.4 Cg_exo -57.61 148.31 74.24 Favored 'Trans proline' 0 C--O 1.201 -1.355 0 C-N-CA 123.257 2.638 . . . . 0.0 111.65 170.441 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 183' ' ' ARG . . . . . . . . . . . . 0.267 4.4 ptp180 -83.61 -16.16 46.31 Favored 'General case' 0 CA--C 1.572 1.822 0 O-C-N 118.701 -2.499 . . . . 0.0 114.799 169.536 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 184' ' ' GLU . . . . . . . . . . . . . 14.9 tp10 -96.12 106.75 18.98 Favored 'General case' 0 C--N 1.281 -2.39 0 O-C-N 125.772 1.92 . . . . 0.0 108.557 168.086 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 185' ' ' ILE . . . . . . . . . . . . 0.395 26.0 pt -141.53 157.55 21.47 Favored 'Isoleucine or valine' 0 C--O 1.2 -1.52 0 C-N-CA 127.04 2.136 . . . . 0.0 113.39 -174.607 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 186' ' ' LEU . . . . . . . . . . . . . 56.5 tp -56.16 130.98 46.47 Favored 'General case' 0 CA--C 1.589 2.469 0 C-N-CA 126.03 1.732 . . . . 0.0 112.615 168.378 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 187' ' ' THR . . . . . . . . . . . . . 17.1 m -105.87 140.84 38.28 Favored 'General case' 0 C--O 1.251 1.162 0 C-N-CA 126.559 1.944 . . . . 0.0 113.049 176.486 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 188' ' ' LYS . . . . . . . . . . . . . 89.3 mttt -122.17 146.82 46.88 Favored 'General case' 0 CA--C 1.487 -1.472 0 CA-C-N 121.359 1.891 . . . . 0.0 109.843 160.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 189' ' ' ILE . . . . . . . . . . . . . 81.2 mt -122.06 143.03 36.07 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.953 0 O-C-N 120.124 -1.61 . . . . 0.0 110.201 165.588 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 190' ' ' CYS . . . . . . . . . . . . . 48.2 t -138.21 141.93 39.98 Favored 'General case' 0 CA--C 1.491 -1.3 0 C-N-CA 128.276 2.63 . . . . 0.0 111.013 -173.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 191' ' ' LEU . . . . . . . . . . . . . 2.8 mp -150.08 151.0 32.51 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 127.629 2.372 . . . . 0.0 111.39 177.26 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 192' ' ' PHE . . . . . 0.49 ' CD1' ' HE3' ' C' ' 290' ' ' LYS 0.255 5.7 t80 -132.68 94.02 3.33 Favored 'General case' 0 C--O 1.21 -0.98 0 N-CA-C 116.676 2.102 . . . . 0.0 116.676 173.825 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' C' C ' 193' ' ' THR . . . . . . . . . . . . . 51.6 p -79.13 112.01 15.93 Favored 'General case' 0 C--O 1.277 2.509 0 O-C-N 116.676 -3.765 . . . . 0.0 108.876 -153.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 194' ' ' ARG . . . . . . . . . . . . . 29.3 ptt85 -149.93 157.17 38.13 Favored Pre-proline 0 CA--C 1.589 2.458 0 CA-C-O 115.617 -2.135 . . . . 0.0 111.819 -173.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 195' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_exo -50.96 -40.13 58.71 Favored 'Trans proline' 0 C--O 1.172 -2.798 1 C-N-CA 127.564 5.51 . . . . 0.0 113.204 -177.129 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 196' ' ' ALA . . . . . . . . . . . . . . . -78.46 -15.99 58.03 Favored 'General case' 0 N--CA 1.486 1.332 0 CA-C-N 112.667 -2.06 . . . . 0.0 109.831 -173.05 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 197' ' ' SER . . . . . . . . . . . . . 5.6 t -73.88 -26.77 60.73 Favored 'General case' 0 C--N 1.36 1.034 0 CA-C-N 122.617 2.462 . . . . 0.0 108.277 171.452 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 198' ' ' GLN . . . . . . . . . . . . . 21.6 mm100 -84.73 44.16 1.04 Allowed 'General case' 0 N--CA 1.514 2.741 1 O-C-N 115.38 -4.575 . . . . 0.0 112.187 179.761 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 199' ' ' TYR . . . . . . . . . . . . . 43.2 t80 -149.68 115.95 5.76 Favored 'General case' 0 CA--C 1.571 1.766 0 C-N-CA 126.341 1.857 . . . . 0.0 114.206 -176.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 200' ' ' LEU . . . . . . . . . . . . . 17.6 mt -146.32 -22.38 0.44 Allowed 'General case' 0 C--N 1.382 1.994 0 CA-C-O 113.412 -3.185 . . . . 0.0 109.264 171.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 201' ' ' PHE . . . . . . . . . . . . . 21.3 m-85 -107.19 91.65 6.95 Favored Pre-proline 0 C--O 1.278 2.58 1 C-N-CA 131.768 4.027 . . . . 0.0 108.871 174.461 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 202' ' ' PRO . . . . . . . . . . . . . 30.6 Cg_exo -45.53 145.13 4.39 Favored 'Trans proline' 0 C--O 1.253 1.239 0 O-C-N 116.488 -2.427 . . . . 0.0 115.002 171.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 203' ' ' ASP . . . . . . . . . . . . . 80.1 m-20 56.59 -5.53 0.03 OUTLIER 'General case' 0 CA--C 1.581 2.166 0 C-N-CA 127.977 2.511 . . . . 0.0 115.471 179.531 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 204' ' ' SER . . . . . . . . . . . . . 47.1 p -54.75 -27.89 44.42 Favored 'General case' 0 N--CA 1.5 2.04 0 C-N-CA 130.265 3.426 . . . . 0.0 114.555 -177.113 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 205' ' ' SER . . . . . 0.424 ' HB3' HD11 ' C' ' 212' ' ' ILE . 75.3 m -72.02 -10.61 60.01 Favored 'General case' 0 C--N 1.31 -1.137 0 N-CA-C 114.025 1.12 . . . . 0.0 114.025 179.657 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 206' ' ' LYS . . . . . . . . . . . . . 37.0 mtpt -62.11 -27.22 68.78 Favored 'General case' 0 N--CA 1.51 2.527 0 N-CA-C 114.85 1.426 . . . . 0.0 114.85 168.424 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 207' ' ' ASN . . . . . . . . . . . . . 52.0 t-20 -77.8 111.1 13.27 Favored 'General case' 0 C--N 1.353 0.746 0 CA-C-O 116.837 -1.554 . . . . 0.0 113.526 -178.406 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 208' ' ' SER . . . . . . . . . . . . 0.259 2.8 t -47.73 -29.0 2.74 Favored 'General case' 0 C--O 1.266 1.962 0 N-CA-C 118.675 2.843 . . . . 0.0 118.675 172.176 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 209' ' ' LYS . . . . . . . . . . . . . 87.0 mttt -69.2 -10.19 56.54 Favored 'General case' 0 N--CA 1.516 2.863 0 CA-C-O 112.153 -3.784 . . . . 0.0 112.176 169.205 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 210' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -81.87 133.9 35.36 Favored 'General case' 0 C--O 1.278 2.583 0 CA-C-N 123.054 2.661 . . . . 0.0 110.984 -179.049 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 211' ' ' HIS . . . . . . . . . . . . . 8.0 t-160 -78.61 115.05 18.05 Favored 'General case' 0 C--O 1.251 1.147 0 CA-C-O 114.561 -2.638 . . . . 0.0 108.428 165.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 212' ' ' ILE . . . . . 0.424 HD11 ' HB3' ' C' ' 205' ' ' SER . 37.6 mt -91.71 129.47 42.33 Favored 'Isoleucine or valine' 0 C--O 1.246 0.901 0 CA-C-N 123.347 2.794 . . . . 0.0 112.076 167.506 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 213' ' ' LEU . . . . . . . . . . . . . 17.1 mt -96.05 127.73 42.32 Favored 'General case' 0 C--O 1.205 -1.266 0 C-N-CA 127.564 2.345 . . . . 0.0 111.216 171.118 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 214' ' ' ASN . . . . . . . . . . . . . 30.4 t30 -142.03 167.63 21.66 Favored 'General case' 0 C--N 1.366 1.318 0 CA-C-N 111.392 -2.64 . . . . 0.0 110.989 177.747 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 215' ' ' GLY . . . . . . . . . . . . . . . 35.69 -122.41 0.62 Allowed Glycine 0 CA--C 1.556 2.606 0 C-N-CA 128.287 2.851 . . . . 0.0 117.853 171.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 216' ' ' GLU . . . . . . . . . . . . 0.371 1.8 pm0 -59.1 -36.57 75.37 Favored 'General case' 0 C--N 1.322 -0.614 0 O-C-N 127.198 2.352 . . . . 0.0 113.897 -176.33 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 217' ' ' GLU . . . . . . . . . . . . . 41.8 mm-40 -78.76 -31.41 46.19 Favored 'General case' 0 C--O 1.194 -1.841 0 O-C-N 116.331 -3.98 . . . . 0.0 116.998 179.324 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 218' ' ' LEU . . . . . . . . . . . . . 24.0 tp -67.19 -48.55 67.57 Favored 'General case' 0 CA--C 1.599 2.837 0 CA-C-N 113.382 -1.736 . . . . 0.0 111.659 168.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 219' ' ' MET . . . . . . . . . . . . . 13.6 tmm? -45.79 -55.69 6.26 Favored 'General case' 0 CA--C 1.579 2.091 0 O-C-N 118.264 -2.773 . . . . 0.0 111.529 165.182 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 220' ' ' LYS . . . . . . . . . . . . . 40.6 mtmt -68.13 -35.37 77.99 Favored 'General case' 0 N--CA 1.443 -0.786 0 N-CA-C 116.161 1.912 . . . . 0.0 116.161 176.235 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 221' ' ' TRP . . . . . . . . . . . . . 79.9 t90 -62.41 -48.33 80.17 Favored 'General case' 0 C--N 1.263 -3.18 0 CA-C-O 125.319 2.485 . . . . 0.0 113.635 -177.612 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 222' ' ' TRP . . . . . . . . . . . . . 16.4 m95 -71.17 -26.98 63.21 Favored 'General case' 0 N--CA 1.427 -1.595 0 O-C-N 117.475 -3.265 . . . . 0.0 117.943 168.527 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 223' ' ' GLY . . . . . . . . . . . . . . . -69.67 -41.34 75.2 Favored Glycine 0 CA--C 1.554 2.503 0 O-C-N 117.173 -3.455 . . . . 0.0 108.895 176.094 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 224' ' ' PHE . . . . . . . . . . . . . 21.5 m-85 -62.0 -21.9 65.25 Favored 'General case' 0 C--N 1.365 1.259 1 O-C-N 116.397 -4.001 . . . . 0.0 113.956 167.654 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 225' ' ' ILE . . . . . . . . . . . . . 15.4 mt -77.73 -43.35 29.32 Favored 'Isoleucine or valine' 0 CA--C 1.597 2.781 0 O-C-N 119.025 -2.297 . . . . 0.0 106.117 177.518 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 226' ' ' LEU . . . . . . . . . . . . . 40.9 mt -72.58 -29.4 63.5 Favored 'General case' 0 N--CA 1.415 -2.219 0 O-C-N 118.488 -2.632 . . . . 0.0 111.64 177.493 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 227' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -70.36 -31.51 68.81 Favored 'General case' 0 CA--C 1.571 1.763 0 O-C-N 126.545 2.403 . . . . 0.0 114.053 171.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 228' ' ' ARG . . . . . . . . . . . . . 23.9 mtt180 -74.15 -13.93 60.89 Favored 'General case' 0 C--N 1.32 -0.712 0 O-C-N 119.21 -2.182 . . . . 0.0 115.02 168.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 229' ' ' LEU . . . . . . . . . . . . . 89.7 mt -79.84 -42.02 25.15 Favored 'General case' 0 CA--C 1.477 -1.843 0 CA-C-N 119.382 0.992 . . . . 0.0 111.596 163.533 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 230' ' ' LEU . . . . . . . . . . . . . 19.6 mt -63.09 -41.32 99.38 Favored 'General case' 0 C--N 1.387 2.197 0 N-CA-C 108.979 -0.748 . . . . 0.0 108.979 -163.214 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 231' ' ' ILE . . . . . . . . . . . . . 8.9 pt -84.82 16.52 0.5 Allowed 'Isoleucine or valine' 0 N--CA 1.524 3.23 0 N-CA-C 117.785 2.513 . . . . 0.0 117.785 173.296 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 232' ' ' GLU . . . . . . . . . . . . . 51.1 tt0 -150.43 -31.8 0.19 Allowed 'General case' 0 C--O 1.179 -2.645 0 O-C-N 116.913 -3.617 . . . . 0.0 115.072 179.513 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 233' ' ' CYS . . . . . . . . . . . . . 64.8 m -115.31 6.51 14.94 Favored 'General case' 0 N--CA 1.528 3.435 0 N-CA-C 115.003 1.483 . . . . 0.0 115.003 -172.596 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 234' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -141.11 150.37 42.78 Favored 'General case' 0 CA--C 1.597 2.752 0 O-C-N 119.029 -2.294 . . . . 0.0 110.584 -174.477 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 235' ' ' GLN . . . . . . . . . . . . . 49.9 mm-40 -70.27 145.22 51.45 Favored 'General case' 0 C--N 1.306 -1.284 0 C-N-CA 129.117 2.967 . . . . 0.0 110.953 166.591 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 236' ' ' ASN . . . . . . . . . . . . . 40.0 t30 -86.13 22.24 1.8 Allowed 'General case' 0 C--O 1.197 -1.659 0 CA-C-O 125.607 2.622 . . . . 0.0 112.249 -163.519 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 237' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -110.83 1.18 17.55 Favored 'General case' 0 C--O 1.264 1.862 0 O-C-N 117.201 -3.437 . . . . 0.0 110.65 169.569 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 238' ' ' THR . . . . . 0.4 ' CG2' HG23 ' C' ' 332' ' ' ILE . 51.5 m -69.14 145.43 53.33 Favored 'General case' 0 CA--C 1.587 2.373 0 O-C-N 117.64 -3.163 . . . . 0.0 116.872 -172.515 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 239' ' ' GLN . . . . . . . . . . . . . 30.4 mm-40 -90.31 142.84 27.32 Favored 'General case' 0 C--O 1.215 -0.759 0 C-N-CA 127.626 2.371 . . . . 0.0 108.33 -179.141 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 240' ' ' ALA . . . . . . . . . . . . . . . -144.15 124.25 13.66 Favored 'General case' 0 C--N 1.304 -1.382 0 N-CA-C 114.855 1.428 . . . . 0.0 114.855 170.774 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 241' ' ' LYS . . . . . . . . . . . . . 38.3 mmtt -111.91 157.22 20.9 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 126.134 2.146 . . . . 0.0 115.924 -176.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 242' ' ' LEU . . . . . . . . . . . . . 53.9 tp -139.19 140.31 37.77 Favored 'General case' 0 C--O 1.214 -0.796 0 C-N-CA 128.779 2.832 . . . . 0.0 109.74 166.167 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 243' ' ' ARG . . . . . . . . . . . . . 44.6 ttt180 -151.98 149.47 28.93 Favored 'General case' 0 N--CA 1.521 3.112 0 O-C-N 120.238 -1.539 . . . . 0.0 107.374 166.302 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 244' ' ' ILE . . . . . . . . . . . . . 40.7 mt -137.92 126.45 14.43 Favored Pre-proline 0 C--N 1.267 -3.011 0 C-N-CA 131.062 3.745 . . . . 0.0 107.474 -169.662 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 245' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_exo -48.52 125.39 12.33 Favored 'Trans proline' 0 N--CA 1.426 -2.484 0 N-CA-C 118.258 2.368 . . . . 0.0 118.258 170.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 246' ' ' GLY . . . . . . . . . . . . . . . 76.52 -9.72 20.61 Favored Glycine 0 CA--C 1.558 2.78 0 N-CA-C 117.814 1.886 . . . . 0.0 117.814 169.221 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 247' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -82.19 138.94 34.56 Favored 'General case' 0 C--N 1.325 -0.462 1 C-N-CA 131.846 4.058 . . . . 0.0 115.142 179.156 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 248' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -60.54 124.37 78.36 Favored Pre-proline 0 CA--C 1.484 -1.585 0 C-N-CA 126.445 1.898 . . . . 0.0 112.613 -179.01 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 249' ' ' PRO . . . . . . . . . . . . . 12.8 Cg_endo -50.66 -27.98 21.19 Favored 'Trans proline' 0 N--CA 1.495 1.59 1 CA-C-O 109.772 -4.345 . . . . 0.0 112.753 -178.63 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 250' ' ' ALA . . . . . . . . . . . . . . . -78.71 -28.48 45.12 Favored 'General case' 0 CA--C 1.492 -1.254 1 CA-C-N 129.694 5.679 . . . . 0.0 112.289 169.313 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 251' ' ' ARG . . . . . . . . . . . . . 27.6 ttt180 -69.98 -30.03 67.27 Favored 'General case' 0 N--CA 1.494 1.764 0 CA-C-N 122.875 2.579 . . . . 0.0 112.843 174.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 252' ' ' VAL . . . . . . . . . . . . . 84.5 t -64.99 -45.89 93.23 Favored 'Isoleucine or valine' 0 CA--C 1.607 3.143 0 O-C-N 117.566 -3.209 . . . . 0.0 109.497 170.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 253' ' ' ARG . . . . . . . . . . . . . 18.8 ttm105 -60.53 -30.91 70.05 Favored 'General case' 0 C--N 1.393 2.459 0 O-C-N 128.994 3.934 . . . . 0.0 111.646 176.548 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 254' ' ' SER . . . . . . . . . . . . . 41.9 t -73.61 -36.36 65.49 Favored 'General case' 0 CA--C 1.577 1.986 0 N-CA-C 106.15 -1.796 . . . . 0.0 106.15 -177.688 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 255' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -67.64 -35.2 78.46 Favored 'General case' 0 N--CA 1.499 2.023 0 CA-C-N 121.576 1.989 . . . . 0.0 107.502 -179.611 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 256' ' ' LEU . . . . . . . . . . . . . 86.7 mt -66.43 -6.24 13.83 Favored 'General case' 0 N--CA 1.497 1.905 0 N-CA-C 118.51 2.782 . . . . 0.0 118.51 175.373 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 257' ' ' ARG . . . . . . . . . . . . . 24.5 ttt180 -70.83 -21.88 62.39 Favored 'General case' 0 N--CA 1.436 -1.127 0 CA-C-N 120.292 1.405 . . . . 0.0 109.63 173.338 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 258' ' ' GLY . . . . . . . . . . . . . . . -57.96 -36.11 79.26 Favored Glycine 0 CA--C 1.454 -3.773 0 O-C-N 117.982 -2.949 . . . . 0.0 117.473 163.435 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 259' ' ' MET . . . . . . . . . . . . . 2.1 mpt? -82.49 151.53 26.46 Favored 'General case' 0 C--O 1.268 2.051 0 C-N-CA 126.805 2.042 . . . . 0.0 113.964 -173.451 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 260' ' ' LYS . . . . . . . . . . . . . 18.7 tttt -87.35 -38.57 16.09 Favored 'General case' 0 C--N 1.379 1.854 0 CA-C-O 125.923 2.773 . . . . 0.0 115.798 -166.271 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 261' ' ' TYR . . . . . 0.447 ' HA ' ' HD3' ' C' ' 262' ' ' PRO . 75.5 t80 -71.52 139.66 84.03 Favored Pre-proline 0 CA--C 1.584 2.254 0 CA-C-O 113.945 -2.931 . . . . 0.0 114.131 -172.861 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 262' ' ' PRO . . . . . 0.447 ' HD3' ' HA ' ' C' ' 261' ' ' TYR . 13.9 Cg_exo -78.36 -37.02 0.81 Allowed 'Trans proline' 0 CA--C 1.504 -1.021 0 CA-C-N 123.013 2.112 . . . . 0.0 114.765 -162.562 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 263' ' ' LEU . . . . . . . . . . . . . 34.4 mt -98.41 29.21 3.71 Favored 'General case' 0 CA--C 1.563 1.473 0 CA-C-N 114.356 -1.293 . . . . 0.0 108.1 -160.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 264' ' ' TRP . . . . . . . . . . . . . 16.8 m95 -60.57 129.21 40.44 Favored 'General case' 0 N--CA 1.436 -1.159 0 C-N-CA 128.322 2.649 . . . . 0.0 111.503 157.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 265' ' ' GLN . . . . . . . . . . . . . 72.8 mt-30 -146.69 155.55 42.51 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-O 123.565 1.65 . . . . 0.0 108.637 -166.064 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 266' ' ' VAL . . . . . . . . . . . . . 99.3 t -86.73 125.71 40.81 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.536 0 O-C-N 119.26 -2.15 . . . . 0.0 109.341 -178.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 267' ' ' GLY . . . . . . . . . . . . . . . 141.31 -146.28 17.37 Favored Glycine 1 N--CA 1.517 4.085 0 N-CA-C 105.887 -2.885 . . . . 0.0 105.887 -178.804 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 268' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -148.55 135.75 20.23 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 127.855 2.462 . . . . 0.0 115.738 -171.787 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 269' ' ' ILE . . . . . . . . . . . . . 23.6 mm -57.13 -29.09 31.04 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.285 0 N-CA-C 116.162 1.912 . . . . 0.0 116.162 175.42 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 270' ' ' PHE . . . . . . . . . . . . . 63.1 m-85 -89.7 -26.96 20.41 Favored 'General case' 0 C--N 1.318 -0.77 0 O-C-N 117.837 -3.04 . . . . 0.0 113.84 -177.622 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 271' ' ' THR . . . . . . . . . . . . . 96.7 m -63.98 95.55 0.12 Allowed 'General case' 0 CA--C 1.56 1.355 0 N-CA-C 105.13 -2.174 . . . . 0.0 105.13 179.113 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 272' ' ' SER . . . . . . . . . . . . . 70.3 p -76.77 -33.34 58.07 Favored 'General case' 0 C--O 1.254 1.305 0 C-N-CA 128.07 2.548 . . . . 0.0 116.717 -172.581 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 273' ' ' LYS . . . . . . . . . . . . 0.279 95.0 mttt -136.15 144.96 45.31 Favored 'General case' 0 CA--C 1.442 -3.191 0 O-C-N 128.013 3.321 . . . . 0.0 115.31 -172.322 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 274' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -73.25 141.3 47.24 Favored 'General case' 0 C--O 1.195 -1.809 0 CA-C-N 111.65 -2.523 . . . . 0.0 110.442 168.191 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 275' ' ' ASN . . . . . . . . . . . . 0.257 10.6 m-20 55.93 48.5 17.78 Favored 'General case' 0 N--CA 1.479 1.021 0 O-C-N 116.898 -3.626 . . . . 0.0 113.476 172.334 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 276' ' ' SER . . . . . . . . . . . . . 7.4 t -117.05 162.95 16.98 Favored 'General case' 0 CA--C 1.489 -1.396 0 C-N-CA 130.283 3.433 . . . . 0.0 109.852 -161.773 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 277' ' ' LEU . . . . . . . . . . . . . 84.7 mt -78.75 142.38 37.06 Favored 'General case' 0 N--CA 1.485 1.316 0 CA-C-O 117.638 -1.173 . . . . 0.0 108.849 176.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 278' ' ' ALA . . . . . . . . . . . . . . . -61.78 -22.17 65.2 Favored 'General case' 0 C--O 1.24 0.555 0 N-CA-C 114.853 1.427 . . . . 0.0 114.853 178.441 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 279' ' ' VAL . . . . . . . . . . . . . 13.0 p -55.47 -41.75 64.58 Favored 'Isoleucine or valine' 0 C--O 1.175 -2.852 0 O-C-N 118.304 -2.748 . . . . 0.0 116.586 175.479 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 280' ' ' TYR . . . . . . . . . . . . . 35.0 m-85 -86.55 1.81 50.34 Favored 'General case' 0 N--CA 1.502 2.129 0 N-CA-C 116.051 1.871 . . . . 0.0 116.051 -175.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 281' ' ' ASN . . . . . . . . . . . . . 71.1 m-80 -133.79 -11.59 2.66 Favored 'General case' 0 CA--C 1.568 1.637 0 N-CA-C 117.477 2.399 . . . . 0.0 117.477 -166.524 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 282' ' ' ILE . . . . . . . . . . . . . 46.1 mm -115.22 106.05 51.7 Favored Pre-proline 0 N--CA 1.484 1.251 0 CA-C-N 119.539 1.063 . . . . 0.0 108.93 -177.456 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 283' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -67.86 153.0 76.66 Favored 'Trans proline' 0 CA--C 1.541 0.875 0 C-N-CA 125.149 3.899 . . . . 0.0 112.741 -170.755 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 284' ' ' LEU . . . . . . . . . . . . . 26.3 mt -92.74 37.97 1.02 Allowed 'General case' 0 CA--C 1.504 -0.799 0 CA-C-O 124.982 2.325 . . . . 0.0 116.931 -169.229 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 285' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -49.0 149.54 3.24 Favored Pre-proline 0 CA--C 1.606 3.126 1 C-N-CA 132.253 4.221 . . . . 0.0 114.612 175.673 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 286' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_endo -82.74 138.58 9.47 Favored 'Trans proline' 0 C--O 1.268 1.983 0 O-C-N 123.576 1.303 . . . . 0.0 112.255 -178.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 287' ' ' ASP . . . . . . . . . . . . . 38.3 m-20 52.44 13.19 0.28 Allowed 'General case' 0 N--CA 1.482 1.134 0 N-CA-C 121.376 3.843 . . . . 0.0 121.376 177.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 288' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -74.26 131.32 80.87 Favored Pre-proline 0 C--N 1.289 -2.039 0 C-N-CA 126.744 2.018 . . . . 0.0 115.128 159.396 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 289' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -53.42 -32.52 62.71 Favored 'Trans proline' 0 C--N 1.365 1.401 0 C-N-CA 125.194 3.929 . . . . 0.0 114.881 169.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 290' ' ' LYS . . . . . 0.49 ' HE3' ' CD1' ' C' ' 192' ' ' PHE . 8.1 mtmp? -73.23 -47.16 45.69 Favored 'General case' 0 N--CA 1.529 3.523 0 CA-C-N 121.938 2.153 . . . . 0.0 108.989 -179.788 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 291' ' ' ALA . . . . . . . . . . . . . . . -63.52 -43.22 97.79 Favored 'General case' 0 C--O 1.261 1.708 0 C-N-CA 124.581 1.152 . . . . 0.0 109.42 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 292' ' ' ARG . . . . . . . . . . . . . 39.6 ttm180 -60.66 -48.55 81.3 Favored 'General case' 0 C--O 1.205 -1.278 0 CA-C-O 115.143 -2.36 . . . . 0.0 106.403 172.064 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 293' ' ' PHE . . . . . 0.401 ' CD1' ' CE1' ' C' ' 311' ' ' PHE . 1.9 t80 -61.54 -23.49 65.99 Favored 'General case' 0 CA--C 1.575 1.942 0 CA-C-N 124.291 3.223 . . . . 0.0 114.953 176.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 294' ' ' ILE . . . . . . . . . . . . . 17.6 mm -71.95 -27.22 26.85 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.926 0 O-C-N 125.386 1.679 . . . . 0.0 110.505 173.28 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 295' ' ' HIS . . . . . . . . . . . . 0.306 50.4 t-80 -75.07 -51.94 12.27 Favored 'General case' 0 N--CA 1.411 -2.388 0 O-C-N 127.355 2.91 . . . . 0.0 107.395 175.557 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 296' ' ' GLN . . . . . . . . . . . . . 69.0 mt-30 -60.97 -29.92 69.96 Favored 'General case' 0 CA--C 1.569 1.702 1 O-C-N 113.046 -6.034 . . . . 0.0 111.455 173.388 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 297' ' ' LEU . . . . . 0.417 HD13 HG11 ' C' ' 306' ' ' VAL . 40.6 mt -74.97 -15.9 60.65 Favored 'General case' 0 C--O 1.189 -2.081 0 O-C-N 125.325 1.641 . . . . 0.0 111.763 170.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 298' ' ' ALA . . . . . . . . . . . . . . . -82.05 -30.84 31.18 Favored 'General case' 0 N--CA 1.474 0.738 0 O-C-N 116.359 -3.963 . . . . 0.0 118.477 160.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 299' ' ' GLU . . . . . . . . . . . . . 27.2 tp10 -73.54 -46.88 44.97 Favored 'General case' 0 CA--C 1.506 -0.741 0 CA-C-O 126.375 2.988 . . . . 0.0 110.049 175.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 300' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -60.35 -21.86 62.58 Favored 'General case' 0 C--N 1.36 1.063 1 O-C-N 115.336 -4.602 . . . . 0.0 114.348 159.27 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' C' C ' 301' ' ' ASP . . . . . . . . . . . . 0.29 20.3 t0 48.19 50.33 16.39 Favored 'General case' 0 C--O 1.277 2.525 0 CA-C-N 120.162 1.347 . . . . 0.0 114.343 -169.023 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 302' ' ' ARG . . . . . . . . . . . . 0.283 19.3 ttp-105 -97.77 0.03 46.16 Favored 'General case' 0 N--CA 1.45 -0.463 0 O-C-N 117.542 -3.224 . . . . 0.0 113.192 167.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 303' ' ' LEU . . . . . . . . . . . . . 49.1 tp -71.58 -29.86 65.18 Favored 'General case' 0 N--CA 1.537 3.906 0 N-CA-C 114.986 1.476 . . . . 0.0 114.986 -153.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 304' ' ' LEU . . . . . . . . . . . . . 16.9 mt -71.09 4.2 2.9 Favored 'General case' 0 C--O 1.27 2.137 0 N-CA-C 115.548 1.684 . . . . 0.0 115.548 169.349 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 305' ' ' LYS . . . . . . . . . . . . . 49.0 mtpt -132.0 -21.16 2.42 Favored 'General case' 0 C--O 1.275 2.421 0 O-C-N 125.588 1.805 . . . . 0.0 107.861 -171.333 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 306' ' ' VAL . . . . . 0.425 HG12 ' H ' ' C' ' 306' ' ' VAL . 3.2 p -76.72 117.05 20.87 Favored 'Isoleucine or valine' 1 C--O 1.152 -4.045 0 CA-C-O 126.481 3.038 . . . . 0.0 115.41 -171.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' C' C ' 307' ' ' SER . . . . . . . . . . . . . 1.5 t -70.32 152.67 43.9 Favored 'General case' 0 C--O 1.248 1.024 0 O-C-N 118.537 -2.602 . . . . 0.0 117.436 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 308' ' ' LEU . . . . . . . . . . . . . 7.2 tt -74.73 -40.05 61.5 Favored 'General case' 0 C--N 1.296 -1.729 0 O-C-N 116.808 -3.683 . . . . 0.0 111.934 -174.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 309' ' ' SER . . . . . . . . . . . . . 31.0 p -48.4 -52.74 20.5 Favored 'General case' 0 N--CA 1.419 -2.017 0 C-N-CA 123.676 0.791 . . . . 0.0 111.602 167.623 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 310' ' ' SER . . . . . . . . . . . . . 38.8 t -63.54 -29.44 70.71 Favored 'General case' 0 C--O 1.214 -0.77 0 N-CA-C 115.679 1.733 . . . . 0.0 115.679 -179.237 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 311' ' ' PHE . . . . . 0.401 ' CE1' ' CD1' ' C' ' 293' ' ' PHE . 23.4 t80 -72.62 -45.65 58.01 Favored 'General case' 0 C--O 1.281 2.755 0 CA-C-N 114.039 -1.437 . . . . 0.0 111.763 172.528 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 312' ' ' TRP . . . . . . . . . . . . . 73.6 m95 -65.43 -21.81 66.7 Favored 'General case' 0 C--O 1.276 2.476 1 N-CA-C 121.921 4.045 . . . . 0.0 121.921 169.48 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 313' ' ' ILE . . . . . . . . . . . . 0.25 59.9 mt -77.72 -43.95 29.18 Favored 'Isoleucine or valine' 0 CA--C 1.565 1.528 0 N-CA-C 106.89 -1.522 . . . . 0.0 106.89 176.575 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 314' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -56.78 -42.6 79.73 Favored 'General case' 0 CA--C 1.486 -1.513 0 CA-C-O 116.959 -1.496 . . . . 0.0 111.781 166.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 315' ' ' LEU . . . . . . . . . . . . . 79.2 mt -57.92 -32.78 68.1 Favored 'General case' 1 N--CA 1.542 4.165 1 CA-C-N 126.419 4.19 . . . . 0.0 115.643 169.228 . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' C' C ' 316' ' ' GLN . . . . . . . . . . . . . 41.9 tp60 -68.62 -57.63 5.44 Favored 'General case' 0 N--CA 1.503 2.178 0 CA-C-N 119.34 0.973 . . . . 0.0 110.962 172.004 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 317' ' ' GLU . . . . . . . . . . . . . 23.1 mm-40 -68.28 -37.06 80.3 Favored 'General case' 0 N--CA 1.498 1.935 0 CA-C-O 114.519 -2.658 . . . . 0.0 113.524 -169.611 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 318' ' ' ARG . . . . . . . . . . . . . 55.4 mtp180 -91.75 92.49 8.43 Favored 'General case' 0 N--CA 1.526 3.332 0 CA-C-O 123.275 1.512 . . . . 0.0 108.646 -171.685 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 319' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -61.04 -17.48 52.59 Favored 'General case' 0 N--CA 1.519 3.0 0 C-N-CA 127.189 2.196 . . . . 0.0 110.21 171.061 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 320' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -68.97 -27.34 65.63 Favored 'General case' 0 CA--C 1.57 1.747 0 O-C-N 125.793 1.933 . . . . 0.0 111.92 -179.444 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 321' ' ' PHE . . . . . . . . . . . . . 42.2 m-85 -66.89 -17.51 64.93 Favored 'General case' 0 CA--C 1.495 -1.137 0 C-N-CA 129.621 3.168 . . . . 0.0 110.939 175.356 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 322' ' ' LYS . . . . . . . . . . . . 0.355 26.4 tptt 51.41 60.64 3.72 Favored 'General case' 0 N--CA 1.414 -2.264 1 C-N-CA 133.678 4.791 . . . . 0.0 112.773 176.517 . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' C' C ' 323' ' ' LEU . . . . . 0.46 HD22 ' CZ ' ' C' ' 192' ' ' PHE . 59.7 mt -83.59 -25.64 30.72 Favored 'General case' 0 C--N 1.291 -1.953 0 N-CA-C 116.966 2.21 . . . . 0.0 116.966 178.062 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 324' ' ' SER . . . . . . . . . . . . . 14.8 t 63.82 168.17 0.15 Allowed 'General case' 0 N--CA 1.432 -1.359 0 C-N-CA 128.058 2.543 . . . . 0.0 110.561 -173.101 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 325' ' ' VAL . . . . . . . . . . . . . 59.7 t -77.8 154.19 5.28 Favored 'Isoleucine or valine' 0 CA--C 1.574 1.88 0 O-C-N 116.934 -3.604 . . . . 0.0 109.931 -173.257 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 326' ' ' THR . . . . . . . . . . . . 0.411 5.3 m 46.34 40.06 7.25 Favored 'General case' 1 N--CA 1.547 4.384 0 CA-C-N 111.738 -2.483 . . . . 0.0 112.638 -167.809 . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' C' C ' 327' ' ' SER . . . . . . . . . . . . . 34.8 t -57.39 156.55 7.67 Favored 'General case' 0 CA--C 1.588 2.439 0 N-CA-C 108.747 -0.835 . . . . 0.0 108.747 162.337 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 328' ' ' SER . . . . . . . . . . . . . 24.0 p -149.82 140.53 22.65 Favored 'General case' 0 C--O 1.282 2.807 0 N-CA-C 120.23 3.419 . . . . 0.0 120.23 176.145 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 329' ' ' VAL . . . . . . . . . . . . . 92.7 t -91.85 120.93 41.82 Favored 'Isoleucine or valine' 0 C--O 1.266 1.935 0 CA-C-O 124.976 2.322 . . . . 0.0 107.015 159.371 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 330' ' ' MET . . . . . . . . . . . . . 21.4 ptp -129.21 158.84 37.91 Favored 'General case' 0 C--O 1.264 1.82 0 O-C-N 118.615 -2.553 . . . . 0.0 115.246 171.09 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 331' ' ' GLY . . . . . . . . . . . . . . . -175.51 174.06 46.61 Favored Glycine 0 N--CA 1.413 -2.855 0 O-C-N 119.464 -2.023 . . . . 0.0 112.511 178.075 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 332' ' ' ILE . . . . . 0.4 HG23 ' CG2' ' C' ' 238' ' ' THR . 72.1 mt -126.62 158.59 36.84 Favored 'Isoleucine or valine' 0 N--CA 1.515 2.806 0 CA-C-O 115.736 -2.078 . . . . 0.0 106.656 174.861 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 333' ' ' SER . . . . . . . . . . . . . 41.2 t -144.21 132.03 21.38 Favored 'General case' 0 CA--C 1.471 -2.062 0 C-N-CA 126.5 1.92 . . . . 0.0 114.105 152.461 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 161.69 -158.94 30.85 Favored Glycine 0 C--N 1.282 -2.444 0 N-CA-C 119.264 2.466 . . . . 0.0 119.264 172.468 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 335' ' ' TYR . . . . . . . . . . . . . 49.8 m-85 -95.14 124.54 39.24 Favored 'General case' 0 C--O 1.255 1.381 0 CA-C-N 121.369 2.584 . . . . 0.0 113.293 -178.301 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 336' ' ' SER . . . . . . . . . . . . . 88.4 p -57.35 145.06 33.69 Favored 'General case' 0 CA--C 1.627 3.905 0 CA-C-N 122.718 2.508 . . . . 0.0 111.054 171.51 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 337' ' ' LEU . . . . . . . . . . . . . 10.9 tp -57.77 -33.01 68.06 Favored 'General case' 0 N--CA 1.517 2.916 0 CA-C-O 124.001 1.858 . . . . 0.0 111.101 -171.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 338' ' ' ALA . . . . . . . . . . . . . . . -124.81 159.31 31.3 Favored 'General case' 0 C--O 1.244 0.778 0 O-C-N 119.287 -2.133 . . . . 0.0 115.542 165.718 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 339' ' ' THR . . . . . . . . . . . . . 16.5 m -76.85 140.84 67.51 Favored Pre-proline 0 N--CA 1.412 -2.35 0 O-C-N 125.476 1.735 . . . . 0.0 113.047 179.283 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 340' ' ' PRO . . . . . . . . . . . . . 44.8 Cg_endo -70.29 171.74 14.46 Favored 'Trans proline' 0 CA--C 1.592 3.401 0 C-N-CA 121.705 1.603 . . . . 0.0 110.953 -179.307 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 341' ' ' SER . . . . . . . . . . . . 0.28 12.5 p -158.61 -17.56 0.07 Allowed 'General case' 0 N--CA 1.527 3.417 0 N-CA-C 117.512 2.412 . . . . 0.0 117.512 -175.621 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 342' ' ' LEU . . . . . . . . . . . . . 41.6 mt -72.78 157.34 37.69 Favored 'General case' 0 CA--C 1.574 1.873 0 C-N-CA 112.873 -3.531 . . . . 0.0 110.71 -168.471 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 343' ' ' PHE . . . . . . . . . . . . . 26.9 m-85 -138.0 89.85 14.42 Favored Pre-proline 0 N--CA 1.494 1.757 0 CA-C-N 108.497 -3.956 . . . . 0.0 101.601 158.377 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 344' ' ' PRO . . . . . . . . . . . . . 81.1 Cg_exo -64.65 143.01 79.64 Favored 'Trans proline' 0 C--O 1.253 1.233 0 N-CA-C 116.974 1.875 . . . . 0.0 116.974 -169.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 345' ' ' SER . . . . . . . . . . . . . 10.2 p -75.96 173.2 11.53 Favored 'General case' 0 N--CA 1.422 -1.872 0 O-C-N 127.892 3.245 . . . . 0.0 111.252 -176.228 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 346' ' ' SER . . . . . . . . . . . . . 30.3 t -55.67 -25.91 42.0 Favored 'General case' 0 C--O 1.19 -2.043 0 C-N-CA 131.364 3.866 . . . . 0.0 114.366 159.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -91.85 -9.43 43.4 Favored 'General case' 0 CA--C 1.588 2.413 0 CA-C-O 114.08 -2.867 . . . . 0.0 108.29 176.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 348' ' ' ASP . . . . . . . . . . . . . 46.5 m-20 -89.16 -26.12 21.46 Favored 'General case' 0 C--O 1.212 -0.917 0 CA-C-N 122.816 2.553 . . . . 0.0 115.527 163.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 349' ' ' VAL . . . . . . . . . . . . . 7.1 p -171.03 130.99 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.368 1.405 0 O-C-N 120.355 -1.466 . . . . 0.0 111.352 -165.136 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 350' ' ' ILE . . . . . . . . . . . . . 51.4 mt -78.72 135.66 25.45 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.033 0 N-CA-C 107.299 -1.371 . . . . 0.0 107.299 172.502 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 351' ' ' VAL . . . . . . . . . . . . . 61.0 t -127.25 79.6 72.91 Favored Pre-proline 0 C--O 1.25 1.125 0 N-CA-C 105.228 -2.138 . . . . 0.0 105.228 -176.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 352' ' ' PRO . . . . . . . . . . . . 0.267 26.7 Cg_endo -67.78 145.36 68.76 Favored 'Trans proline' 0 CA--C 1.586 3.108 1 C-N-CA 125.531 4.154 . . . . 0.0 109.516 -173.072 . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' C' C ' 353' ' ' LYS . . . . . . . . . . . . . 49.4 mtpt -77.5 15.64 0.76 Allowed 'General case' 0 C--N 1.366 1.313 0 O-C-N 118.881 -2.387 . . . . 0.0 114.708 -174.341 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 354' ' ' SER . . . . . . . . . . . . . 3.0 t -163.93 144.74 8.61 Favored 'General case' 0 C--O 1.209 -1.03 0 CA-C-N 122.754 2.524 . . . . 0.0 112.222 174.642 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 355' ' ' ARG . . . . . . . . . . . . . 79.6 mtm180 -60.15 -33.06 71.64 Favored 'General case' 0 N--CA 1.495 1.798 0 C-N-CA 127.707 2.403 . . . . 0.0 112.371 170.332 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 356' ' ' LYS . . . . . . . . . . . . . 76.4 mttt -65.42 -48.51 72.53 Favored 'General case' 0 N--CA 1.513 2.692 0 O-C-N 118.434 -2.666 . . . . 0.0 113.028 168.359 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 357' ' ' GLN . . . . . . . . . . . . . 9.9 tp60 -54.0 -51.57 63.5 Favored 'General case' 0 C--O 1.262 1.732 0 O-C-N 121.633 -0.667 . . . . 0.0 109.215 174.372 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 358' ' ' PHE . . . . . . . . . . . . . 36.9 t80 -55.48 -47.8 75.58 Favored 'General case' 0 C--O 1.259 1.572 0 O-C-N 118.433 -2.667 . . . . 0.0 116.957 179.108 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 359' ' ' ARG . . . . . . . . . . . . 0.253 79.3 mtm-85 -43.94 -51.39 7.67 Favored 'General case' 0 C--N 1.366 1.323 0 CA-C-O 122.175 0.988 . . . . 0.0 113.443 160.328 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 360' ' ' ALA . . . . . . . . . . . . . . . -68.15 -31.85 71.71 Favored 'General case' 0 C--O 1.177 -2.737 0 O-C-N 119.074 -2.266 . . . . 0.0 113.193 -170.551 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 361' ' ' ILE . . . . . . . . . . . . . 58.3 mt -67.94 -33.87 63.84 Favored 'Isoleucine or valine' 0 N--CA 1.409 -2.51 0 CA-C-O 115.958 -1.972 . . . . 0.0 109.378 177.389 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 362' ' ' LYS . . . . . . . . . . . . . 51.0 mtpt -70.22 -52.83 20.21 Favored 'General case' 0 CA--C 1.567 1.617 0 CA-C-O 124.463 2.077 . . . . 0.0 109.703 174.031 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 363' ' ' LYS . . . . . . . . . . . . . 17.4 tptm -54.52 -38.86 67.02 Favored 'General case' 0 C--O 1.294 3.446 0 O-C-N 119.088 -2.257 . . . . 0.0 111.772 -177.62 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 364' ' ' TYR . . . . . . . . . . . . 0.253 43.3 m-85 -44.98 -37.0 3.69 Favored 'General case' 0 N--CA 1.492 1.666 1 N-CA-C 121.987 4.069 . . . . 0.0 121.987 164.354 . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' C' C ' 365' ' ' ILE . . . . . 0.582 ' N ' HD12 ' C' ' 365' ' ' ILE . 3.0 mp -92.92 -54.12 7.69 Favored 'Isoleucine or valine' 1 N--CA 1.54 4.04 0 O-C-N 118.7 -2.5 . . . . 0.0 114.43 166.57 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' C' C ' 366' ' ' THR . . . . . . . . . . . . . 70.2 p -84.79 4.45 32.89 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-O 117.564 -1.208 . . . . 0.0 112.73 -165.266 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 367' ' ' GLY . . . . . . . . . . . . . . . -96.49 -20.18 25.56 Favored Glycine 0 CA--C 1.544 1.871 0 CA-C-O 116.853 -2.081 . . . . 0.0 109.161 175.213 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 368' ' ' GLU . . . . . . . . . . . . . 14.4 tp10 -76.48 162.72 27.59 Favored 'General case' 0 CA--C 1.556 1.183 0 CA-C-N 120.326 2.063 . . . . 0.0 111.146 -169.055 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 369' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -98.49 96.3 7.9 Favored 'General case' 0 N--CA 1.499 2.01 0 O-C-N 116.767 -3.708 . . . . 0.0 116.571 -177.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 370' ' ' TYR . . . . . . . . . . . . 0.321 54.9 m-85 -77.22 20.37 0.28 Allowed 'General case' 0 N--CA 1.529 3.522 0 CA-C-N 113.549 -1.66 . . . . 0.0 112.243 -167.624 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 371' ' ' ASP . . . . . . . . . . . . 0.267 38.3 t0 -59.55 -8.47 1.93 Allowed 'General case' 0 C--O 1.287 3.03 0 O-C-N 118.475 -2.641 . . . . 0.0 110.226 173.08 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 372' ' ' THR . . . . . . . . . . . . . 9.2 t -153.63 154.89 35.03 Favored 'General case' 0 C--O 1.213 -0.848 0 C-N-CA 129.233 3.013 . . . . 0.0 111.25 -163.066 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 373' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -62.79 -19.38 63.97 Favored 'General case' 0 N--CA 1.477 0.895 0 CA-C-O 126.244 2.926 . . . . 0.0 115.196 173.233 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 374' ' ' GLU . . . . . . . . . . . . . 62.4 mt-10 -79.73 -5.72 55.79 Favored 'General case' 0 N--CA 1.434 -1.266 0 O-C-N 118.32 -2.737 . . . . 0.0 111.325 -173.65 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 375' ' ' GLY . . . . . . . . . . . . . . . -84.58 -48.76 4.87 Favored Glycine 0 C--O 1.263 1.954 0 N-CA-C 107.259 -2.336 . . . . 0.0 107.259 176.443 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 376' ' ' ALA . . . . . . . . . . . . . . . -60.15 -31.21 69.88 Favored 'General case' 0 N--CA 1.493 1.688 0 CA-C-O 115.37 -2.252 . . . . 0.0 111.34 172.544 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 377' ' ' ILE . . . . . . . . . . . . . 99.1 mt -73.24 -39.49 56.17 Favored 'Isoleucine or valine' 0 CA--C 1.489 -1.401 0 CA-C-N 122.292 2.315 . . . . 0.0 113.34 174.091 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 378' ' ' GLU . . . . . 0.599 ' HG2' ' HE3' ' A' ' 177' ' ' LYS . 44.2 tp10 -71.3 -40.43 70.83 Favored 'General case' 0 CA--C 1.581 2.171 0 CA-C-O 121.258 0.551 . . . . 0.0 111.322 177.2 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 379' ' ' ALA . . . . . . . . . . . . . . . -55.64 -21.26 17.02 Favored 'General case' 0 N--CA 1.48 1.06 0 O-C-N 118.772 -2.455 . . . . 0.0 113.192 174.544 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 380' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -99.18 -47.95 5.02 Favored 'General case' 0 CA--C 1.597 2.752 0 C-N-CA 117.348 -1.741 . . . . 0.0 114.338 170.342 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 381' ' ' THR . . . . . 0.453 HG22 HH12 ' C' ' 384' ' ' ARG . 50.3 p -60.38 -27.35 67.34 Favored 'General case' 1 N--CA 1.554 4.749 0 O-C-N 119.852 -1.78 . . . . 0.0 110.556 179.484 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' C' C ' 382' ' ' ASN . . . . . . . . . . . . . 27.0 t30 -83.36 -41.3 18.34 Favored 'General case' 0 C--N 1.387 2.203 0 O-C-N 119.098 -2.251 . . . . 0.0 112.94 -173.485 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 383' ' ' ILE . . . . . . . . . . . . . 6.9 tp -67.69 -41.93 85.89 Favored 'Isoleucine or valine' 0 C--O 1.273 2.315 0 O-C-N 120.723 -1.235 . . . . 0.0 113.323 169.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 384' ' ' ARG . . . . . 0.453 HH12 HG22 ' C' ' 381' ' ' THR . 42.3 ttp180 -43.77 -70.56 0.1 Allowed 'General case' 0 CA--C 1.587 2.366 0 C-N-CA 126.815 2.046 . . . . 0.0 108.047 172.178 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 385' ' ' ASP . . . . . . . . . . . . . 71.5 m-20 -64.31 -26.14 68.36 Favored 'General case' 0 CA--C 1.592 2.577 0 O-C-N 120.722 -1.236 . . . . 0.0 108.841 -173.008 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 386' ' ' PHE . . . . . . . . . . . . . 36.5 t80 -57.89 -63.7 1.16 Allowed 'General case' 0 CA--C 1.573 1.855 0 O-C-N 118.652 -2.53 . . . . 0.0 114.439 167.292 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 387' ' ' LEU . . . . . . . . . . . . . 62.0 mt -59.52 -27.58 66.31 Favored 'General case' 0 CA--C 1.592 2.595 0 CA-C-O 116.824 -1.56 . . . . 0.0 111.526 -179.094 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 388' ' ' LEU . . . . . . . . . . . . . 64.0 tp -79.44 -44.4 21.44 Favored 'General case' 0 N--CA 1.493 1.72 0 N-CA-C 117.464 2.394 . . . . 0.0 117.464 173.568 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 389' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -86.51 -8.24 57.73 Favored 'General case' 0 N--CA 1.507 2.413 0 N-CA-C 117.273 2.323 . . . . 0.0 117.273 176.386 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 390' ' ' ARG . . . . . . . . . . . . 0.319 74.2 mmt-85 -118.63 2.5 11.72 Favored 'General case' 0 C--N 1.379 1.889 1 N-CA-C 122.078 4.103 . . . . 0.0 122.078 168.307 . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' C' C ' 391' ' ' MET . . . . . . . . . . . . 0.251 15.8 ttt -157.9 5.36 0.13 Allowed 'General case' 0 CA--C 1.595 2.699 0 N-CA-C 114.078 1.14 . . . . 0.0 114.078 -176.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 392' ' ' ALA . . . . . . . . . . . . . . . 41.71 32.84 0.28 Allowed 'General case' 0 C--O 1.27 2.149 0 N-CA-C 116.035 1.865 . . . . 0.0 116.035 -166.5 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 393' ' ' THR . . . . . . . . . . . . . 5.1 m -115.73 151.34 35.3 Favored 'General case' 0 CA--C 1.598 2.801 1 O-C-N 116.047 -4.158 . . . . 0.0 113.491 -165.301 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 394' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 -88.59 159.55 17.84 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 130.397 3.479 . . . . 0.0 111.478 164.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 395' ' ' LEU . . . . . . . . . . . . . 48.2 mt -64.17 151.32 43.7 Favored 'General case' 0 C--O 1.261 1.667 0 CA-C-N 119.284 0.947 . . . . 0.0 110.667 155.653 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 396' ' ' GLN . . . . . . . . . . . . . 94.9 mm-40 -70.4 147.33 49.64 Favored 'General case' 0 C--N 1.403 2.927 0 O-C-N 118.969 -2.332 . . . . 0.0 114.262 165.393 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 397' ' ' SER . . . . . . . . . . . . . 22.8 t -141.6 144.23 34.1 Favored 'General case' 0 N--CA 1.529 3.486 0 O-C-N 125.864 1.977 . . . . 0.0 112.096 -176.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 398' ' ' LEU . . . . . 0.601 HD12 ' HB3' ' C' ' 8' ' ' SER . 2.0 pt? -164.5 143.33 7.13 Favored 'General case' 0 C--N 1.274 -2.705 0 CA-C-O 125.976 2.798 . . . . 0.0 115.677 -175.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 399' ' ' THR . . . . . . . . . . . . . 30.5 m -78.18 137.0 37.93 Favored 'General case' 0 N--CA 1.495 1.776 0 C-N-CA 127.737 2.415 . . . . 0.0 111.918 173.275 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 400' ' ' GLY . . . . . . . . . . . . . . . -83.28 166.76 44.41 Favored Glycine 0 N--CA 1.479 1.518 0 CA-C-O 127.385 3.769 . . . . 0.0 115.109 171.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 401' ' ' LYS . . . . . . . . . . . . . 79.5 mttt -124.12 -15.16 6.88 Favored 'General case' 0 CA--C 1.479 -1.778 0 N-CA-C 118.387 2.736 . . . . 0.0 118.387 -165.015 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 402' ' ' ARG . . . . . . . . . . . . . 41.3 ttp180 -89.23 110.42 21.19 Favored 'General case' 0 N--CA 1.415 -2.179 0 C-N-CA 124.371 1.068 . . . . 0.0 113.333 -164.633 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 403' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -75.02 154.68 37.9 Favored 'General case' 0 CA--C 1.556 1.207 0 N-CA-C 118.39 2.737 . . . . 0.0 118.39 175.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 404' ' ' HIS . . . . . . . . . . . . . 81.4 t60 -87.82 60.82 6.1 Favored 'General case' 0 C--O 1.256 1.4 0 O-C-N 119.68 -1.887 . . . . 0.0 107.274 173.281 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 405' ' ' ARG . . . . . . . . . . . . . 7.9 ptm180 -169.11 145.58 3.45 Favored 'General case' 0 C--N 1.289 -2.05 0 C-N-CA 127.179 2.192 . . . . 0.0 114.558 178.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 406' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -133.19 158.97 41.53 Favored 'General case' 0 C--O 1.257 1.449 0 CA-C-O 123.966 1.841 . . . . 0.0 110.128 -174.134 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 407' ' ' ARG . . . . . . . . . . . . . 33.5 ptt180 -119.57 -21.9 7.17 Favored 'General case' 0 C--O 1.266 1.938 0 CA-C-O 115.438 -2.22 . . . . 0.0 113.029 173.068 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 408' ' ' ASN . . . . . . . . . . . . . 24.0 t-20 -119.29 -22.36 7.14 Favored 'General case' 0 N--CA 1.479 0.999 0 N-CA-C 117.521 2.415 . . . . 0.0 117.521 177.524 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 409' ' ' GLN . . . . . . . . . . . . . 43.4 mm-40 -88.11 156.58 51.75 Favored Pre-proline 0 C--N 1.307 -1.244 0 O-C-N 119.003 -2.311 . . . . 0.0 114.073 173.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 410' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -81.1 -9.43 12.85 Favored 'Trans proline' 0 CA--C 1.559 1.75 0 C-N-CA 121.309 1.339 . . . . 0.0 113.749 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 411' ' ' VAL . . . . . . . . . . . . . 5.5 p -155.5 138.55 10.68 Favored Pre-proline 0 N--CA 1.505 2.313 0 N-CA-C 104.975 -2.232 . . . . 0.0 104.975 -179.703 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 412' ' ' PRO . . . . . . . . . . . . 0.251 56.6 Cg_endo -62.54 156.58 51.41 Favored 'Trans proline' 0 C--N 1.374 1.901 0 C-N-CA 120.851 1.034 . . . . 0.0 112.083 169.661 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 413' ' ' ALA . . . . . . . . . . . . . . . -76.83 -33.69 57.92 Favored 'General case' 0 N--CA 1.5 2.028 0 CA-C-O 123.261 1.505 . . . . 0.0 114.899 175.624 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 414' ' ' SER . . . . . . . . . . . . . 19.6 m -80.52 26.63 0.38 Allowed 'General case' 0 C--O 1.264 1.838 0 CA-C-N 112.341 -2.208 . . . . 0.0 109.812 -165.774 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 415' ' ' ASN . . . . . . . . . . . . . 17.1 p30 -82.47 -170.21 2.83 Favored 'General case' 0 N--CA 1.418 -2.044 0 O-C-N 119.804 -1.81 . . . . 0.0 115.071 -172.51 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 416' ' ' ILE . . . . . . . . . . . . . 14.5 tt -50.54 -21.34 1.12 Allowed 'Isoleucine or valine' 0 CA--C 1.564 1.497 0 N-CA-C 121.436 3.865 . . . . 0.0 121.436 -176.3 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 417' ' ' ASN . . . . . . . . . . . . . 60.4 m-80 -74.39 -2.99 27.8 Favored 'General case' 0 CA--C 1.595 2.681 0 CA-C-N 115.116 -0.947 . . . . 0.0 113.487 175.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 418' ' ' THR . . . . . . . . . . . . 0.369 80.5 p . . . . . 0 CA--C 1.46 -2.507 0 O-C-N 127.132 2.77 . . . . 0.0 113.12 178.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 1' ' ' SER . . . . . . . . . . . . . 68.6 p . . . . . 0 C--O 1.192 -1.971 0 CA-C-O 122.479 1.133 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' D' D ' 2' ' ' SER . . . . . 0.446 ' HB2' ' CZ2' ' D' ' 153' ' ' TRP . 59.5 p -59.35 145.55 42.94 Favored 'General case' 0 CA--C 1.563 1.471 0 O-C-N 117.454 -3.279 . . . . 0.0 112.53 172.849 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 3' ' ' ILE . . . . . . . . . . . . . 28.1 mm -79.77 -45.74 22.9 Favored 'Isoleucine or valine' 0 C--O 1.197 -1.708 0 O-C-N 121.04 -1.037 . . . . 0.0 112.381 -177.031 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 4' ' ' VAL . . . . . . . . . . . . . 39.8 t -93.47 144.36 9.65 Favored 'Isoleucine or valine' 0 C--O 1.263 1.81 0 CA-C-O 126.883 3.23 . . . . 0.0 108.479 166.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 5' ' ' SER . . . . . . . . . . . . . 28.2 t -157.1 154.61 29.69 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 117.475 -3.266 . . . . 0.0 107.969 -174.757 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 6' ' ' LEU . . . . . . . . . . . . . 18.3 tp -94.7 116.62 28.97 Favored 'General case' 0 CA--C 1.575 1.912 0 C-N-CA 128.218 2.607 . . . . 0.0 113.555 -178.336 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 7' ' ' LEU . . . . . . . . . . . . . 16.3 mt -84.03 -34.68 24.22 Favored 'General case' 0 N--CA 1.522 3.139 0 O-C-N 118.429 -2.669 . . . . 0.0 111.842 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 8' ' ' GLY . . . . . . . . . . . . . . . 172.34 178.63 42.66 Favored Glycine 0 N--CA 1.415 -2.728 0 CA-C-O 124.205 2.003 . . . . 0.0 113.95 160.208 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 9' ' ' ILE . . . . . 0.416 HG22 ' N ' ' D' ' 10' ' ' LYS . 12.1 mt -137.93 138.47 43.83 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.475 0 O-C-N 119.482 -2.187 . . . . 0.0 115.868 175.663 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 10' ' ' LYS . . . . . 0.416 ' N ' HG22 ' D' ' 9' ' ' ILE . 25.9 pttt -126.83 146.88 50.1 Favored 'General case' 0 C--O 1.178 -2.669 0 CA-C-O 116.009 -1.948 . . . . 0.0 115.568 172.025 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 11' ' ' VAL . . . . . . . . . . . . . 21.7 t -105.17 112.3 38.18 Favored 'Isoleucine or valine' 0 CA--C 1.593 2.634 0 CA-C-O 114.576 -2.63 . . . . 0.0 113.374 -171.137 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 12' ' ' LEU . . . . . . . . . . . . . 74.5 mt -78.04 -33.12 51.17 Favored 'General case' 0 N--CA 1.536 3.847 0 O-C-N 126.754 2.534 . . . . 0.0 111.631 -161.652 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 13' ' ' ASN . . . . . . . . . . . . 0.282 26.8 p-10 -124.04 82.14 1.99 Allowed 'General case' 0 C--N 1.272 -2.763 0 O-C-N 125.419 1.7 . . . . 0.0 113.048 -167.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 14' ' ' ASN . . . . . . . . . . . . . 12.9 t30 -152.33 155.43 33.04 Favored Pre-proline 0 CA--C 1.575 1.914 0 N-CA-C 114.283 1.216 . . . . 0.0 114.283 174.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 15' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -66.31 155.56 81.55 Favored 'Cis proline' 0 CA--C 1.465 -2.974 0 CA-C-N 119.937 1.013 . . . . 0.0 110.924 -12.145 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 16' ' ' ALA . . . . . . . . . . . . . . . -147.62 177.77 9.01 Favored 'General case' 0 C--N 1.31 -1.119 0 CA-C-O 123.176 1.465 . . . . 0.0 113.716 -168.431 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 17' ' ' LYS . . . . . . . . . . . . . 50.5 mtpt -61.55 146.99 46.96 Favored 'General case' 0 C--O 1.203 -1.393 0 O-C-N 117.51 -3.244 . . . . 0.0 105.037 171.586 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 18' ' ' PHE . . . . . . . . . . . . 0.257 51.2 t80 -47.88 -43.91 29.03 Favored 'General case' 0 C--O 1.246 0.883 0 N-CA-C 115.023 1.49 . . . . 0.0 115.023 156.768 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 19' ' ' THR . . . . . . . . . . . . . 31.9 p -87.45 8.96 22.42 Favored 'General case' 0 N--CA 1.524 3.233 0 O-C-N 126.093 2.121 . . . . 0.0 111.057 -175.144 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 20' ' ' ASP . . . . . . . . . . . . . 90.3 m-20 -79.98 145.45 61.36 Favored Pre-proline 0 N--CA 1.497 1.903 0 CA-C-O 115.708 -2.091 . . . . 0.0 109.787 165.207 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 21' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_exo -56.68 158.87 15.22 Favored 'Trans proline' 0 CA--C 1.546 1.119 0 C-N-CA 122.687 2.258 . . . . 0.0 114.052 164.237 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 22' ' ' TYR . . . . . . . . . . . . . 57.1 m-85 -102.45 100.3 10.42 Favored 'General case' 0 N--CA 1.397 -3.103 0 C-N-CA 129.812 3.245 . . . . 0.0 107.705 178.294 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 23' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -91.59 121.79 33.58 Favored 'General case' 0 C--N 1.375 1.7 0 O-C-N 116.586 -3.821 . . . . 0.0 108.684 -177.57 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 24' ' ' PHE . . . . . . . . . . . . . 39.3 m-85 -129.19 151.7 49.58 Favored 'General case' 0 C--O 1.259 1.588 0 O-C-N 125.422 1.701 . . . . 0.0 108.532 -178.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 25' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -133.15 105.42 7.01 Favored 'General case' 0 CA--C 1.568 1.636 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 171.606 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 26' ' ' ILE . . . . . . . . . . . . . 11.1 mt -104.44 131.89 52.32 Favored 'Isoleucine or valine' 0 N--CA 1.512 2.645 0 C-N-CA 129.354 3.062 . . . . 0.0 111.976 -167.74 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 27' ' ' THR . . . . . . . . . . . . . 82.3 m -125.5 129.78 50.44 Favored 'General case' 0 N--CA 1.511 2.578 0 CA-C-N 120.292 1.406 . . . . 0.0 109.223 -178.04 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 28' ' ' PHE . . . . . . . . . . . . 0.311 33.5 p90 -141.24 173.88 11.06 Favored 'General case' 0 C--N 1.297 -1.68 0 C-N-CA 125.453 1.501 . . . . 0.0 111.65 -163.047 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 29' ' ' GLU . . . . . . . . . . . . . 76.3 tt0 -147.66 143.23 27.5 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 117.679 -3.138 . . . . 0.0 110.635 -174.616 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 30' ' ' CYS . . . . . 0.479 ' HB3' ' HA ' ' D' ' 67' ' ' VAL . 49.5 t -122.04 115.37 22.38 Favored 'General case' 0 C--N 1.305 -1.363 1 CA-C-O 111.252 -4.213 . . . . 0.0 107.546 175.906 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 71.3 mt -63.12 -34.67 78.1 Favored 'General case' 0 CA--C 1.552 1.056 0 CA-C-N 123.572 2.896 . . . . 0.0 116.533 -179.09 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 32' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -167.2 160.82 14.06 Favored 'General case' 0 N--CA 1.499 1.994 0 CA-C-N 112.774 -2.012 . . . . 0.0 108.128 -169.21 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 33' ' ' SER . . . . . . . . . . . . . 56.5 m -60.89 117.31 5.27 Favored 'General case' 0 N--CA 1.5 2.041 0 C-N-CA 126.501 1.92 . . . . 0.0 115.531 -171.678 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 44.5 mt -92.88 161.61 14.42 Favored 'General case' 0 C--O 1.272 2.286 0 C-N-CA 117.792 -1.563 . . . . 0.0 113.172 174.319 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 35' ' ' LYS . . . . . . . . . . . . . 90.4 mttt -88.0 -52.66 5.14 Favored 'General case' 0 C--N 1.393 2.483 0 N-CA-C 117.439 2.385 . . . . 0.0 117.439 177.123 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 36' ' ' HIS . . . . . . . . . . . . . 95.3 m-70 -76.1 -174.78 2.85 Favored 'General case' 0 N--CA 1.494 1.751 0 N-CA-C 114.059 1.133 . . . . 0.0 114.059 -177.192 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 37' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -88.38 150.34 23.24 Favored 'General case' 0 CA--C 1.57 1.718 0 O-C-N 119.856 -1.778 . . . . 0.0 111.805 174.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 38' ' ' LEU . . . . . . . . . . . . . 15.8 tp -96.06 143.21 27.41 Favored 'General case' 0 C--N 1.294 -1.81 0 C-N-CA 129.741 3.216 . . . . 0.0 111.892 162.16 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 39' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -143.97 118.76 9.88 Favored 'General case' 0 N--CA 1.4 -2.956 0 O-C-N 123.698 0.624 . . . . 0.0 109.428 -173.747 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 40' ' ' TRP . . . . . . . . . . . . . 20.4 m95 -89.99 137.97 31.9 Favored 'General case' 0 N--CA 1.508 2.427 0 C-N-CA 126.317 1.847 . . . . 0.0 107.701 170.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 41' ' ' LYS . . . . . . . . . . . . 0.367 28.9 tttt -138.3 138.88 38.8 Favored 'General case' 0 CA--C 1.484 -1.565 0 CA-C-N 113.72 -1.582 . . . . 0.0 111.153 168.26 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 42' ' ' LEU . . . . . . . . . . . . . 15.2 tp -120.99 129.41 53.4 Favored 'General case' 0 CA--C 1.556 1.178 0 N-CA-C 107.141 -1.429 . . . . 0.0 107.141 -176.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 43' ' ' THR . . . . . . . . . . . . . 99.4 m -137.83 150.11 46.89 Favored 'General case' 0 CA--C 1.576 1.956 0 CA-C-O 115.817 -2.039 . . . . 0.0 112.018 -174.218 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 44' ' ' TYR . . . . . . . . . . . . . 15.6 t80 -107.73 130.15 54.97 Favored 'General case' 0 C--O 1.278 2.564 0 C-N-CA 130.694 3.598 . . . . 0.0 114.782 176.457 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 45' ' ' VAL . . . . . . . . . . . . . 77.2 t -84.35 109.38 17.58 Favored 'Isoleucine or valine' 0 CA--C 1.574 1.868 0 CA-C-N 124.379 3.263 . . . . 0.0 114.854 -179.015 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 46' ' ' GLY . . . . . . . . . . . . . . . -72.66 -19.13 79.03 Favored Glycine 0 N--CA 1.488 2.127 0 N-CA-C 117.209 1.643 . . . . 0.0 117.209 -173.504 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 47' ' ' SER . . . . . . . . . . . . . 31.7 t -161.06 151.59 18.03 Favored 'General case' 0 N--CA 1.518 2.936 0 C-N-CA 126.698 1.999 . . . . 0.0 113.791 168.006 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 48' ' ' SER . . . . . . . . . . . . . 89.1 p -70.28 -22.0 62.9 Favored 'General case' 0 N--CA 1.425 -1.717 0 CA-C-N 114.116 -1.402 . . . . 0.0 113.925 167.062 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 49' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -86.66 -17.42 33.82 Favored 'General case' 0 N--CA 1.493 1.721 0 N-CA-C 118.395 2.739 . . . . 0.0 118.395 -174.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 50' ' ' SER . . . . . . . . . . . . . 41.7 t -142.13 136.2 29.81 Favored 'General case' 0 CA--C 1.479 -1.757 0 N-CA-C 116.393 1.998 . . . . 0.0 116.393 177.077 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 51' ' ' LEU . . . . . 0.487 HD22 ' H ' ' D' ' 51' ' ' LEU . 0.2 OUTLIER -68.97 -22.57 64.1 Favored 'General case' 0 C--O 1.191 -2.011 0 CA-C-N 120.11 1.323 . . . . 0.0 114.087 163.522 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' D' D ' 52' ' ' ASP . . . . . . . . . . . . . 71.5 m-20 -66.37 -2.83 4.92 Favored 'General case' 0 N--CA 1.511 2.601 0 CA-C-N 124.291 3.223 . . . . 0.0 113.071 179.133 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 53' ' ' HIS . . . . . . . . . . . . . 49.9 m170 -100.71 3.86 42.65 Favored 'General case' 0 N--CA 1.513 2.707 0 C-N-CA 126.939 2.096 . . . . 0.0 112.413 178.014 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 54' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -73.03 145.14 46.83 Favored 'General case' 0 C--O 1.207 -1.153 0 CA-C-O 115.612 -2.137 . . . . 0.0 112.611 172.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 55' ' ' GLN . . . . . . . . . . . . 0.298 56.3 mt-30 -117.56 140.45 49.61 Favored 'General case' 0 CA--C 1.591 2.537 0 N-CA-C 104.132 -2.544 . . . . 0.0 104.132 -179.752 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 65.0 tt0 -84.29 117.45 23.56 Favored 'General case' 0 CA--C 1.48 -1.745 0 O-C-N 120.143 -1.598 . . . . 0.0 107.813 164.181 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 57' ' ' LEU . . . . . . . . . . . . . 66.5 mt -78.71 -37.35 41.71 Favored 'General case' 0 C--O 1.196 -1.743 0 O-C-N 126.096 2.122 . . . . 0.0 115.402 171.375 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 58' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -166.68 156.15 11.14 Favored 'General case' 0 C--N 1.375 1.695 0 CA-C-O 125.179 2.419 . . . . 0.0 115.338 178.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 59' ' ' SER . . . . . . . . . . . . . 25.3 p -141.63 156.46 45.66 Favored 'General case' 0 C--N 1.305 -1.364 0 O-C-N 117.447 -3.283 . . . . 0.0 108.857 168.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 60' ' ' ILE . . . . . . . . . . . . . 17.3 mm -141.65 120.36 9.81 Favored 'Isoleucine or valine' 0 C--O 1.271 2.213 0 C-N-CA 127.441 2.296 . . . . 0.0 109.137 -169.048 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 61' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -103.75 132.22 50.21 Favored 'General case' 0 N--CA 1.506 2.332 0 C-N-CA 127.128 2.171 . . . . 0.0 111.328 178.751 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 62' ' ' VAL . . . . . . . . . . . . . 40.0 t -141.32 115.68 5.37 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.94 0 CA-C-O 122.81 1.29 . . . . 0.0 110.357 176.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 63' ' ' GLY . . . . . . . . . . . . . . . -149.71 117.76 0.88 Allowed Glycine 0 C--O 1.184 -2.996 0 CA-C-N 113.171 -1.831 . . . . 0.0 114.217 176.007 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 64' ' ' PRO . . . . . . . . . . . . . 89.7 Cg_endo -82.16 160.94 78.21 Favored 'Cis proline' 0 N--CA 1.524 3.278 1 CA-C-N 124.621 4.211 . . . . 0.0 118.516 2.291 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 65' ' ' VAL . . . . . . . . . . . . . 21.3 t -76.97 127.59 83.39 Favored Pre-proline 0 CA--C 1.569 1.68 0 O-C-N 119.704 -1.872 . . . . 0.0 108.238 -177.517 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 66' ' ' PRO . . . . . . . . . . . . . 17.2 Cg_exo -69.47 134.34 28.35 Favored 'Trans proline' 0 CA--C 1.553 1.46 0 N-CA-C 108.523 -1.376 . . . . 0.0 108.523 175.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 67' ' ' VAL . . . . . 0.479 ' HA ' ' HB3' ' D' ' 30' ' ' CYS . 41.9 t -76.94 146.23 8.98 Favored 'Isoleucine or valine' 0 CA--C 1.592 2.574 0 O-C-N 119.542 -1.974 . . . . 0.0 105.703 -179.293 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 68' ' ' GLY . . . . . . . . . . . . . . . 96.45 -170.58 27.12 Favored Glycine 0 C--N 1.38 2.997 0 CA-C-N 112.645 -2.071 . . . . 0.0 114.424 178.264 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 69' ' ' VAL . . . . . . . . . . . . . 80.3 t -64.49 142.64 16.63 Favored 'Isoleucine or valine' 0 N--CA 1.517 2.896 0 CA-C-O 125.043 2.354 . . . . 0.0 107.824 175.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 70' ' ' ASN . . . . . . . . . . . . . 46.0 t30 -160.37 145.68 14.85 Favored 'General case' 0 N--CA 1.417 -2.118 0 O-C-N 119.944 -1.722 . . . . 0.0 113.203 -177.295 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 71' ' ' LYS . . . . . . . . . . . . 0.317 25.7 ttmt -130.06 140.01 50.9 Favored 'General case' 0 CA--C 1.463 -2.397 0 C-N-CA 126.722 2.009 . . . . 0.0 110.101 -167.374 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 72' ' ' PHE . . . . . . . . . . . . 0.308 7.8 t80 -130.76 140.18 50.29 Favored 'General case' 0 CA--C 1.499 -1.017 0 C-N-CA 129.186 2.994 . . . . 0.0 113.581 176.328 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 73' ' ' VAL . . . . . . . . . . . . . 37.3 t -113.55 140.75 32.22 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.465 0 O-C-N 117.413 -3.304 . . . . 0.0 114.206 -179.082 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 74' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -117.33 159.62 22.44 Favored 'General case' 0 C--O 1.247 0.951 0 C-N-CA 129.715 3.206 . . . . 0.0 112.969 175.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 75' ' ' SER . . . . . . . . . . . . . 5.6 t -153.22 51.43 0.73 Allowed 'General case' 0 C--O 1.235 0.34 0 C-N-CA 128.596 2.758 . . . . 0.0 115.947 170.37 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 76' ' ' ALA . . . . . . . . . . . . . . . -75.0 132.58 41.46 Favored 'General case' 0 CA--C 1.553 1.075 0 CA-C-N 112.876 -1.965 . . . . 0.0 111.521 -159.468 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 77' ' ' ASP . . . . . . . . . . . . . 32.0 m-20 -53.84 132.14 57.27 Favored Pre-proline 0 N--CA 1.429 -1.482 0 O-C-N 127.864 3.228 . . . . 0.0 112.302 177.206 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 78' ' ' PRO . . . . . . . . . . . . . 95.3 Cg_endo -64.48 168.87 12.09 Favored 'Trans proline' 0 CA--C 1.57 2.296 0 N-CA-C 115.523 1.317 . . . . 0.0 115.523 -179.697 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 79' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_endo -78.68 148.85 23.14 Favored 'Trans proline' 0 C--N 1.367 1.529 0 C-N-CA 125.08 3.853 . . . . 0.0 111.564 -175.037 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 80' ' ' SER . . . . . . . . . . . . . 8.2 t -70.53 106.9 3.62 Favored 'General case' 0 CA--C 1.555 1.143 0 N-CA-C 115.272 1.582 . . . . 0.0 115.272 170.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 81' ' ' ALA . . . . . . . . . . . . . . . -49.87 -34.89 21.49 Favored 'General case' 0 C--N 1.315 -0.914 0 N-CA-C 118.386 2.736 . . . . 0.0 118.386 166.67 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 82' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -68.31 -31.39 70.78 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 117.888 -3.007 . . . . 0.0 110.226 178.123 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 83' ' ' LEU . . . . . . . . . . . . . 7.3 mt -81.41 -15.94 53.65 Favored 'General case' 0 C--O 1.27 2.136 0 C-N-CA 118.622 -1.231 . . . . 0.0 110.901 176.239 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 84' ' ' ILE . . . . . . . . . . . . . 18.9 mt -83.43 128.79 62.87 Favored Pre-proline 0 CA--C 1.574 1.868 0 C-N-CA 126.597 1.959 . . . . 0.0 113.309 -177.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 85' ' ' PRO . . . . . . . . . . . . 0.297 47.5 Cg_exo -47.47 114.42 1.03 Allowed 'Trans proline' 0 N--CA 1.442 -1.536 0 N-CA-C 116.327 1.626 . . . . 0.0 116.327 169.393 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 86' ' ' ALA . . . . . . . . . . . . . . . -50.48 -27.01 5.76 Favored 'General case' 0 C--O 1.26 1.644 1 N-CA-C 122.347 4.202 . . . . 0.0 122.347 -177.7 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 87' ' ' SER . . . . . . . . . . . . . 80.5 p -82.17 -31.66 30.37 Favored 'General case' 0 CA--C 1.462 -2.422 0 O-C-N 126.225 2.203 . . . . 0.0 113.233 173.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 88' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -73.53 -34.13 65.07 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 125.626 1.571 . . . . 0.0 112.007 175.587 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 89' ' ' LEU . . . . . . . . . . . . 0.263 10.7 tp -61.97 -42.57 99.28 Favored 'General case' 0 C--O 1.267 1.99 0 CA-C-O 123.233 1.492 . . . . 0.0 112.477 -163.58 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 90' ' ' VAL . . . . . . . . . . . . . 24.3 m -78.76 39.87 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.389 2.285 0 O-C-N 119.791 -1.818 . . . . 0.0 111.234 178.356 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 91' ' ' SER . . . . . . . . . . . . . 2.1 t -152.26 169.05 23.44 Favored 'General case' 0 N--CA 1.494 1.744 0 N-CA-C 115.847 1.795 . . . . 0.0 115.847 -173.251 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 92' ' ' VAL . . . . . . . . . . . . 0.361 12.4 p -55.34 135.4 18.4 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.589 0 C-N-CA 128.896 2.878 . . . . 0.0 113.248 172.002 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 93' ' ' THR . . . . . 0.407 ' HA ' HD22 ' E' ' 126' ' ' LEU . 3.6 t -156.34 -178.67 7.5 Favored 'General case' 0 CA--C 1.565 1.554 0 O-C-N 125.583 1.802 . . . . 0.0 108.432 173.289 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 94' ' ' VAL . . . . . . . . . . . . . 32.8 m -115.17 148.31 17.98 Favored 'Isoleucine or valine' 0 N--CA 1.41 -2.443 0 N-CA-C 117.928 2.566 . . . . 0.0 117.928 173.523 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 95' ' ' ILE . . . . . . . . . . . . . 13.9 pt -108.07 140.96 24.59 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.224 0 O-C-N 127.893 3.246 . . . . 0.0 109.041 163.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 96' ' ' LEU . . . . . . . . . . . . . 29.3 mt -133.47 123.38 25.16 Favored 'General case' 0 N--CA 1.424 -1.757 0 C-N-CA 127.016 2.126 . . . . 0.0 110.226 -170.571 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 97' ' ' LEU . . . . . . . . . . . . . 13.9 tp -98.12 119.55 36.97 Favored 'General case' 0 C--O 1.173 -2.965 0 O-C-N 127.727 3.142 . . . . 0.0 108.003 165.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 98' ' ' SER . . . . . . . . . . . . . 38.4 t -84.81 140.79 30.94 Favored 'General case' 0 CA--C 1.489 -1.394 0 CA-C-N 112.74 -2.027 . . . . 0.0 109.712 161.515 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 99' ' ' CYS . . . . . . . . . . . . 0.465 5.9 t -122.08 130.8 53.57 Favored 'General case' 0 C--O 1.276 2.489 0 O-C-N 117.397 -3.314 . . . . 0.0 106.855 160.401 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 100' ' ' SER . . . . . . . . . . . . . 22.5 t -137.31 133.24 34.73 Favored 'General case' 0 C--O 1.196 -1.761 0 O-C-N 117.74 -3.1 . . . . 0.0 113.93 -175.125 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 101' ' ' TYR . . . . . . . . . . . . . 75.0 t80 -113.83 132.2 55.96 Favored 'General case' 0 N--CA 1.489 1.486 0 CA-C-O 113.345 -3.217 . . . . 0.0 111.091 173.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 102' ' ' ASP . . . . . . . . . . . . . 23.6 t0 47.11 34.56 2.96 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 128.69 3.744 . . . . 0.0 114.321 -176.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 103' ' ' GLY . . . . . . . . . . . . . . . 83.95 5.82 87.38 Favored Glycine 0 CA--C 1.571 3.548 0 CA-C-N 112.014 -2.357 . . . . 0.0 116.155 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 104' ' ' ARG . . . . . . . . . . . . . 51.4 mtm-85 -111.77 123.61 50.6 Favored 'General case' 0 N--CA 1.514 2.773 0 N-CA-C 104.034 -2.58 . . . . 0.0 104.034 174.19 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 105' ' ' GLU . . . . . 0.403 ' CD ' ' HE ' ' D' ' 108' ' ' ARG . 25.6 tt0 -69.29 113.95 7.1 Favored 'General case' 0 C--O 1.254 1.307 0 CA-C-N 112.784 -2.007 . . . . 0.0 111.319 170.174 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 106' ' ' PHE . . . . . . . . . . . . . 16.9 p90 -106.2 -9.3 16.95 Favored 'General case' 0 C--N 1.36 1.026 0 O-C-N 125.989 2.056 . . . . 0.0 110.29 -179.448 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 107' ' ' VAL . . . . . . . . . . . . . 10.0 p -157.39 140.47 6.6 Favored 'Isoleucine or valine' 0 CA--C 1.591 2.543 0 N-CA-C 115.267 1.581 . . . . 0.0 115.267 173.571 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 108' ' ' ARG . . . . . 0.403 ' HE ' ' CD ' ' D' ' 105' ' ' GLU 0.342 5.5 tpp85 -121.35 134.61 55.13 Favored 'General case' 1 N--CA 1.369 -4.519 0 C-N-CA 127.369 2.267 . . . . 0.0 112.807 168.979 . . . . . . . . 4 3 . 1 . 001 nuclear nobuild full ' D' D ' 109' ' ' VAL . . . . . . . . . . . . . 2.8 t -114.54 127.72 71.91 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.268 0 CA-C-N 120.078 1.308 . . . . 0.0 109.966 168.112 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 110' ' ' GLY . . . . . . . . . . . . . . . -116.63 148.21 18.88 Favored Glycine 0 N--CA 1.508 3.449 0 CA-C-O 123.961 1.867 . . . . 0.0 113.528 171.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 111' ' ' TYR . . . . . . . . . . . . . 60.7 m-85 -133.62 133.29 41.81 Favored 'General case' 0 N--CA 1.404 -2.731 0 CA-C-N 111.26 -2.47 . . . . 0.0 111.914 177.346 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 112' ' ' TYR . . . . . . . . . . . . . 64.2 m-85 -73.16 132.25 43.01 Favored 'General case' 0 CA--C 1.486 -1.503 0 C-N-CA 125.471 1.508 . . . . 0.0 108.494 171.695 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 113' ' ' VAL . . . . . . . . . . . . . 59.3 t -120.45 123.59 70.8 Favored 'Isoleucine or valine' 0 C--N 1.382 1.997 0 C-N-CA 130.419 3.488 . . . . 0.0 108.128 174.754 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 114' ' ' ASN . . . . . . . . . . . . . 27.8 t30 -102.71 121.19 41.93 Favored 'General case' 0 C--N 1.279 -2.461 0 CA-C-O 124.359 2.028 . . . . 0.0 112.849 166.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 115' ' ' ASN . . . . . . . . . . . . . 49.6 m-20 -94.85 105.16 17.07 Favored 'General case' 0 C--N 1.401 2.835 0 O-C-N 119.038 -2.288 . . . . 0.0 114.559 172.588 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 116' ' ' GLU . . . . . . . . . . . . . 50.8 tt0 -133.83 145.85 50.1 Favored 'General case' 0 C--O 1.279 2.61 0 CA-C-N 120.613 1.551 . . . . 0.0 112.285 174.381 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 117' ' ' TYR . . . . . . . . . . . . . 61.8 m-85 -66.4 141.28 58.0 Favored 'General case' 0 C--N 1.275 -2.631 0 C-N-CA 124.005 0.922 . . . . 0.0 111.594 -179.496 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 118' ' ' ASP . . . . . . . . . . . . . 19.3 t0 -81.8 2.02 32.05 Favored 'General case' 0 N--CA 1.417 -2.102 0 C-N-CA 125.15 1.38 . . . . 0.0 113.991 176.051 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 119' ' ' GLU . . . . . . . . . . . . . 50.2 mm-40 -114.37 132.78 56.09 Favored 'General case' 0 CA--C 1.579 2.058 0 N-CA-C 108.485 -0.932 . . . . 0.0 108.485 175.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 120' ' ' GLU . . . . . . . . . . . . . 27.7 tp10 -65.1 -38.34 90.42 Favored 'General case' 0 CA--C 1.573 1.835 0 CA-C-O 118.174 -0.917 . . . . 0.0 110.804 -170.023 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 121' ' ' GLU . . . . . . . . . . . . . 38.3 tp10 -69.01 -27.87 66.08 Favored 'General case' 0 CA--C 1.567 1.599 0 CA-C-O 115.953 -1.975 . . . . 0.0 113.402 177.288 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 122' ' ' LEU . . . . . . . . . . . . . 39.2 mt -80.67 -29.57 36.59 Favored 'General case' 0 N--CA 1.513 2.707 0 CA-C-N 120.357 1.435 . . . . 0.0 109.196 170.315 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 123' ' ' ARG . . . . . . . . . . . . . 87.4 mtm-85 -56.95 -39.75 75.14 Favored 'General case' 0 CA--C 1.599 2.865 1 O-C-N 116.197 -4.064 . . . . 0.0 114.058 164.255 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 124' ' ' GLU . . . . . . . . . . . . . 41.8 tp10 -79.44 -38.47 34.58 Favored 'General case' 0 N--CA 1.484 1.24 0 CA-C-N 111.021 -2.809 . . . . 0.0 115.604 -178.43 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 125' ' ' ASN . . . . . . . . . . . . . 23.0 m-20 -129.29 87.2 54.37 Favored Pre-proline 0 N--CA 1.432 -1.37 0 CA-C-O 115.085 -2.388 . . . . 0.0 104.745 179.249 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 126' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -60.28 126.26 19.65 Favored 'Trans proline' 0 N--CA 1.531 3.699 0 C-N-CA 123.567 2.844 . . . . 0.0 109.828 169.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 127' ' ' PRO . . . . . . . . . . . . 0.325 6.7 Cg_endo -71.91 157.5 54.72 Favored 'Trans proline' 0 N--CA 1.455 -0.781 0 C-N-CA 124.923 3.749 . . . . 0.0 117.248 175.707 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 128' ' ' ALA . . . . . . . . . . . . . . . -60.49 -47.55 85.65 Favored 'General case' 0 N--CA 1.51 2.537 0 C-N-CA 128.168 2.587 . . . . 0.0 116.009 162.525 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 129' ' ' LYS . . . . . . . . . . . . . 54.8 mttp -85.23 120.01 26.24 Favored 'General case' 0 CA--C 1.575 1.915 0 CA-C-N 121.694 2.043 . . . . 0.0 110.991 165.165 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 130' ' ' VAL . . . . . . . . . . . . . 98.8 t -80.17 138.83 19.15 Favored 'Isoleucine or valine' 1 N--CA 1.577 5.925 0 O-C-N 118.256 -2.777 . . . . 0.0 108.894 -169.057 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 131' ' ' GLN . . . . . . . . . . . . 0.277 6.5 mt-30 -90.64 73.13 6.77 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 127.432 2.293 . . . . 0.0 112.278 176.326 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 132' ' ' VAL . . . . . . . . . . . . 0.298 95.4 t -48.23 -29.59 2.36 Favored 'Isoleucine or valine' 0 C--N 1.371 1.524 0 N-CA-C 119.63 3.196 . . . . 0.0 119.63 -173.231 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 133' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -78.58 -15.45 58.54 Favored 'General case' 0 C--O 1.211 -0.949 1 C-N-CA 132.228 4.211 . . . . 0.0 113.123 179.84 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 134' ' ' HIS . . . . . . . . . . . . . 71.3 m80 -109.85 -5.55 15.5 Favored 'General case' 0 CA--C 1.561 1.379 0 CA-C-O 113.178 -3.296 . . . . 0.0 112.163 177.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 135' ' ' ILE . . . . . . . . . . . . . 10.6 mt -68.78 118.58 13.17 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.949 0 CA-C-N 121.58 1.991 . . . . 0.0 111.418 167.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 136' ' ' VAL . . . . . . . . . . . . . 53.7 t -88.57 125.49 41.8 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.306 0 C-N-CA 127.701 2.4 . . . . 0.0 111.625 164.491 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 137' ' ' ARG . . . . . . . . . . . . . 13.9 ptt-85 -86.26 144.24 27.52 Favored 'General case' 0 CA--C 1.475 -1.911 1 O-C-N 116.262 -4.024 . . . . 0.0 110.609 165.854 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 138' ' ' ASN . . . . . . . . . . . . . 52.5 t-20 -124.33 105.52 9.52 Favored 'General case' 0 N--CA 1.5 2.067 0 O-C-N 117.711 -3.118 . . . . 0.0 111.695 169.04 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 139' ' ' ILE . . . . . . . . . . . . . 43.9 mt -88.0 132.15 33.84 Favored 'Isoleucine or valine' 0 C--N 1.362 1.129 0 N-CA-C 105.862 -1.903 . . . . 0.0 105.862 -179.207 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 140' ' ' LEU . . . . . . . . . . . . . 9.9 tp -69.13 60.03 0.11 Allowed 'General case' 0 C--N 1.374 1.666 0 C-N-CA 126.41 1.884 . . . . 0.0 115.675 165.591 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 141' ' ' ALA . . . . . . . . . . . . . . . -61.97 -10.58 10.06 Favored 'General case' 0 N--CA 1.428 -1.55 0 N-CA-C 119.446 3.128 . . . . 0.0 119.446 177.244 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 142' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -83.24 -20.82 33.83 Favored 'General case' 0 CA--C 1.588 2.432 0 N-CA-C 118.187 2.662 . . . . 0.0 118.187 165.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 143' ' ' LYS . . . . . . . . . . . . . 50.7 mttt -132.09 56.87 25.79 Favored Pre-proline 0 C--N 1.296 -1.73 0 C-N-CA 128.194 2.598 . . . . 0.0 116.624 -173.683 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 144' ' ' PRO . . . . . . . . . . . . . 94.8 Cg_endo -52.08 140.32 50.43 Favored 'Trans proline' 0 CA--C 1.572 2.41 0 CA-C-O 124.194 1.664 . . . . 0.0 112.436 158.636 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 145' ' ' ARG . . . . . . . . . . . . . 12.3 mmt180 -103.31 110.69 22.78 Favored 'General case' 0 N--CA 1.386 -3.659 0 C-N-CA 126.949 2.1 . . . . 0.0 110.189 163.306 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 146' ' ' VAL . . . . . . . . . . . . . 51.3 t -103.31 96.27 4.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 C-N-CA 129.102 2.961 . . . . 0.0 107.68 -172.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 147' ' ' THR . . . . . . . . . . . . . 6.1 m -86.94 111.07 20.46 Favored 'General case' 0 C--O 1.274 2.353 0 N-CA-C 107.105 -1.443 . . . . 0.0 107.105 172.092 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 148' ' ' ARG . . . . . . . . . . . . . 17.7 ptt180 -90.14 156.85 18.06 Favored 'General case' 0 C--O 1.261 1.673 0 CA-C-O 116.451 -1.738 . . . . 0.0 113.381 170.672 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 149' ' ' PHE . . . . . . . . . . . . . 62.4 m-85 -144.72 128.04 16.82 Favored 'General case' 0 N--CA 1.485 1.316 0 C-N-CA 125.205 1.402 . . . . 0.0 108.033 -173.287 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 150' ' ' ASN . . . . . . . . . . . . . 54.4 t-20 -77.24 137.07 38.6 Favored 'General case' 0 C--O 1.199 -1.573 0 O-C-N 117.721 -3.112 . . . . 0.0 111.059 176.386 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 151' ' ' ILE . . . . . . . . . . . . . 18.7 pt -140.04 169.92 15.64 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.193 0 CA-C-O 124.596 2.141 . . . . 0.0 113.43 176.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 152' ' ' VAL . . . . . . . . . . . . . 51.3 t -71.32 139.6 19.6 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.202 0 O-C-N 118.665 -2.522 . . . . 0.0 111.979 164.408 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 153' ' ' TRP . . . . . 0.446 ' CZ2' ' HB2' ' D' ' 2' ' ' SER . 94.4 m95 -111.05 -23.34 10.98 Favored 'General case' 0 N--CA 1.495 1.822 0 C-N-CA 128.873 2.869 . . . . 0.0 116.615 177.261 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 154' ' ' ASP . . . . . . . . . . . . . 46.6 t0 -148.71 130.81 15.39 Favored 'General case' 0 C--O 1.263 1.79 0 O-C-N 126.69 2.494 . . . . 0.0 108.374 158.359 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 155' ' ' ASN . . . . . . . . . . . . . 19.3 m120 -79.96 -24.43 40.96 Favored 'General case' 0 C--O 1.266 1.947 0 O-C-N 119.411 -2.056 . . . . 0.0 111.198 179.048 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 156' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -76.61 -14.85 59.96 Favored 'General case' 0 N--CA 1.417 -2.075 0 CA-C-O 114.055 -2.878 . . . . 0.0 110.785 175.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 157' ' ' ASN . . . . . . . . . . . . . 64.1 t30 -98.04 -35.55 10.39 Favored 'General case' 0 C--N 1.392 2.432 0 CA-C-N 123.256 2.753 . . . . 0.0 113.476 171.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 158' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -126.8 129.61 48.65 Favored 'General case' 0 C--N 1.394 2.518 0 CA-C-O 125.977 2.799 . . . . 0.0 114.869 -176.251 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 159' ' ' GLY . . . . . . . . . . . . . . . -98.62 114.27 4.97 Favored Glycine 0 C--O 1.254 1.366 0 CA-C-O 116.123 -2.487 . . . . 0.0 113.835 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 160' ' ' ASP . . . . . . . . . . . . . 56.2 t0 -82.53 125.7 31.42 Favored 'General case' 0 C--O 1.269 2.124 0 O-C-N 127.223 2.367 . . . . 0.0 111.245 176.557 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 161' ' ' LEU . . . . . . . . . . . . . 9.7 mt -64.87 -29.64 70.6 Favored 'General case' 0 CA--C 1.567 1.613 0 C-N-CA 124.49 1.116 . . . . 0.0 109.4 -174.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 162' ' ' TYR . . . . . . . . . . . . . 92.4 m-85 -147.23 54.06 1.84 Allowed Pre-proline 0 C--O 1.28 2.673 1 O-C-N 115.523 -4.486 . . . . 0.0 111.944 -167.038 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 163' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -60.94 143.01 99.25 Favored 'Trans proline' 0 N--CA 1.45 -1.059 0 O-C-N 123.423 1.223 . . . . 0.0 113.493 -175.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 164' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo . . . . . 0 N--CA 1.504 2.11 0 O-C-N 116.371 -2.489 . . . . 0.0 108.94 -171.559 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' E' E ' 60' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 C--O 1.281 2.762 0 N-CA-C 115.922 1.823 . . . . 0.0 115.922 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' E' E ' 61' ' ' LEU . . . . . . . . . . . . . 24.5 mt -67.42 -34.35 77.05 Favored 'General case' 0 N--CA 1.506 2.375 0 O-C-N 120.171 -1.581 . . . . 0.0 111.807 -178.115 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 62' ' ' ILE . . . . . . . . . . . . . 30.2 mt -85.87 149.73 4.13 Favored 'Isoleucine or valine' 0 N--CA 1.539 3.983 0 CA-C-O 115.589 -2.148 . . . . 0.0 105.482 -178.319 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 63' ' ' ARG . . . . . . . . . . . . . 30.8 mmt-85 -82.06 118.84 23.32 Favored 'General case' 0 C--O 1.248 1.0 0 O-C-N 124.776 1.298 . . . . 0.0 111.605 164.743 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 64' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -46.39 -70.45 0.1 Allowed 'General case' 0 CA--C 1.491 -1.298 0 O-C-N 128.144 3.402 . . . . 0.0 114.35 -170.159 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 65' ' ' LEU . . . . . . . . . . . . 0.276 14.6 mt -64.43 -28.64 3.13 Favored Pre-proline 0 C--O 1.202 -1.439 0 N-CA-C 120.456 3.502 . . . . 0.0 120.456 -160.502 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 66' ' ' PRO . . . . . . . . . . . . . 16.1 Cg_exo -74.37 -37.16 2.64 Favored 'Trans proline' 0 N--CA 1.422 -2.7 0 C-N-CA 123.936 3.091 . . . . 0.0 113.624 166.084 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 67' ' ' PHE . . . . . . . . . . . . . 54.7 t80 -53.07 -52.18 59.39 Favored 'General case' 0 C--O 1.263 1.796 0 CA-C-O 115.665 -2.112 . . . . 0.0 113.791 164.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 68' ' ' GLN . . . . . . . . . . . . . 47.6 mt-30 -55.73 -36.49 67.3 Favored 'General case' 0 C--N 1.29 -1.992 0 N-CA-C 116.55 2.056 . . . . 0.0 116.55 175.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 69' ' ' ARG . . . . . . . . . . . . . 38.3 ttt180 -75.5 -35.87 60.7 Favored 'General case' 0 C--N 1.294 -1.841 0 O-C-N 121.137 -0.977 . . . . 0.0 110.828 172.47 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 70' ' ' LEU . . . . . . . . . . . . 0.333 52.2 tp -54.94 -36.44 65.28 Favored 'General case' 0 N--CA 1.483 1.195 0 CA-C-O 126.951 3.262 . . . . 0.0 117.64 166.422 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 71' ' ' VAL . . . . . 0.481 HG12 ' CZ ' ' E' ' 84' ' ' PHE 0.275 6.6 t -67.08 -42.86 88.92 Favored 'Isoleucine or valine' 0 CA--C 1.455 -2.69 0 CA-C-O 114.995 -2.431 . . . . 0.0 110.542 176.75 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' E' E ' 72' ' ' ARG . . . . . . . . . . . . . 4.0 tmt_? -64.27 -47.79 78.21 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 128.628 3.705 . . . . 0.0 116.708 172.538 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 73' ' ' GLU . . . . . . . . . . . . . 66.8 mm-40 -65.3 -36.29 83.63 Favored 'General case' 0 C--O 1.243 0.731 0 CA-C-N 121.088 1.767 . . . . 0.0 112.19 -179.273 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 74' ' ' ILE . . . . . . . . . . . . . 6.1 mt -69.58 -40.84 80.03 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.081 0 C-N-CA 117.499 -1.681 . . . . 0.0 108.309 -179.08 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 75' ' ' ALA . . . . . . . . . . . . . . . -71.94 -27.11 62.58 Favored 'General case' 0 N--CA 1.538 3.943 0 N-CA-C 119.988 3.329 . . . . 0.0 119.988 176.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 76' ' ' GLN . . . . . . . . . . . . . 39.2 tp60 -56.26 -39.4 72.55 Favored 'General case' 0 CA--C 1.576 1.969 0 O-C-N 124.592 1.183 . . . . 0.0 110.864 178.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 77' ' ' ASP . . . . . . . . . . . . . 43.1 m-20 -74.71 -18.0 60.57 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 113.774 -1.557 . . . . 0.0 114.902 -179.294 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 78' ' ' PHE . . . . . . . . . . . . . 88.7 m-85 -99.02 -26.87 14.1 Favored 'General case' 0 CA--C 1.565 1.55 0 N-CA-C 117.122 2.267 . . . . 0.0 117.122 169.19 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 79' ' ' LYS . . . . . . . . . . . . . 53.0 tptt -150.57 114.53 5.04 Favored 'General case' 0 C--O 1.201 -1.461 0 CA-C-O 114.342 -2.742 . . . . 0.0 109.855 168.177 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 80' ' ' THR . . . . . . . . . . . . . 52.0 m -62.56 141.4 58.47 Favored 'General case' 0 N--CA 1.51 2.532 0 O-C-N 126.599 2.437 . . . . 0.0 111.972 169.506 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 81' ' ' ASP . . . . . . . . . . . . . 26.1 t0 56.25 32.7 20.83 Favored 'General case' 0 N--CA 1.426 -1.629 0 C-N-CA 129.275 3.03 . . . . 0.0 112.603 -178.284 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 82' ' ' LEU . . . . . . . . . . . . . 3.2 tp -72.61 143.19 48.29 Favored 'General case' 0 CA--C 1.601 2.928 0 CA-C-N 121.461 1.937 . . . . 0.0 107.261 173.006 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 83' ' ' ARG . . . . . . . . . . . . . 67.7 mtt-85 -98.69 -176.12 3.27 Favored 'General case' 0 CA--C 1.459 -2.544 0 N-CA-C 115.428 1.64 . . . . 0.0 115.428 165.567 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 84' ' ' PHE . . . . . 0.481 ' CZ ' HG12 ' E' ' 71' ' ' VAL . 2.9 m-85 -147.87 153.1 38.69 Favored 'General case' 0 N--CA 1.475 0.817 0 CA-C-O 117.665 -1.16 . . . . 0.0 111.199 163.488 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 85' ' ' GLN . . . . . . . . . . . . . 31.8 mm-40 -66.67 134.13 51.64 Favored 'General case' 0 N--CA 1.406 -2.653 0 CA-C-O 116.263 -1.827 . . . . 0.0 115.615 157.759 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 86' ' ' SER . . . . . . . . . . . . . 78.9 p -45.61 -31.21 1.77 Allowed 'General case' 0 N--CA 1.509 2.505 0 CA-C-N 121.004 1.729 . . . . 0.0 115.295 172.068 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 87' ' ' SER . . . . . . . . . . . . . 4.8 m -66.84 -32.45 73.73 Favored 'General case' 0 C--N 1.394 2.528 0 CA-C-N 112.755 -2.02 . . . . 0.0 115.726 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 88' ' ' ALA . . . . . . . . . . . . . . . -79.97 -44.75 19.68 Favored 'General case' 0 C--O 1.254 1.305 0 C-N-CA 129.4 3.08 . . . . 0.0 112.361 -178.349 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 89' ' ' VAL . . . . . . . . . . . . 0.378 11.4 m -65.32 -37.77 80.92 Favored 'Isoleucine or valine' 0 CA--C 1.485 -1.551 0 CA-C-N 113.661 -1.609 . . . . 0.0 114.531 173.527 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 90' ' ' MET . . . . . . . . . . . . . 16.7 mmm -73.69 -34.79 65.02 Favored 'General case' 0 C--O 1.194 -1.838 0 C-N-CA 116.259 -2.176 . . . . 0.0 111.222 173.723 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 91' ' ' ALA . . . . . . . . . . . . . . . -57.36 -43.18 83.29 Favored 'General case' 0 N--CA 1.421 -1.887 0 CA-C-N 121.994 2.179 . . . . 0.0 115.871 168.685 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 92' ' ' LEU . . . . . . . . . . . . . 29.7 mt -53.62 -42.8 68.1 Favored 'General case' 0 C--N 1.277 -2.585 0 CA-C-O 124.303 2.001 . . . . 0.0 112.583 170.305 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 93' ' ' GLN . . . . . . . . . . . . 0.337 29.3 tt0 -66.11 -48.52 70.61 Favored 'General case' 0 CA--C 1.504 -0.79 0 C-N-CA 129.101 2.961 . . . . 0.0 113.162 -179.353 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 94' ' ' GLU . . . . . . . . . . . . . 69.5 mt-10 -73.51 -29.76 62.68 Favored 'General case' 0 N--CA 1.511 2.596 0 C-N-CA 126.527 1.931 . . . . 0.0 111.17 179.167 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 95' ' ' ALA . . . . . . . . . . . . . . . -67.71 -41.11 84.05 Favored 'General case' 0 N--CA 1.512 2.674 0 O-C-N 118.835 -2.416 . . . . 0.0 110.953 167.254 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 96' ' ' SER . . . . . . . . . . . . . 9.8 m -65.34 -51.49 60.19 Favored 'General case' 0 C--O 1.202 -1.432 0 CA-C-O 117.287 -1.339 . . . . 0.0 112.557 178.428 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 97' ' ' GLU . . . . . . . . . . . . . 69.8 mt-10 -46.38 -44.62 17.22 Favored 'General case' 0 C--N 1.302 -1.496 0 CA-C-O 115.711 -2.09 . . . . 0.0 113.502 167.594 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 98' ' ' ALA . . . . . . . . . . . . . . . -75.23 -38.06 60.79 Favored 'General case' 0 CA--C 1.6 2.881 0 N-CA-C 118.229 2.677 . . . . 0.0 118.229 177.487 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 99' ' ' TYR . . . . . . . . . . . . . 28.5 t80 -66.78 -50.03 63.98 Favored 'General case' 0 C--O 1.186 -2.267 0 O-C-N 126.429 2.331 . . . . 0.0 110.017 169.338 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 100' ' ' LEU . . . . . . . . . . . . . 22.0 mt -66.26 -44.67 83.0 Favored 'General case' 0 N--CA 1.497 1.889 0 CA-C-O 112.671 -3.538 . . . . 0.0 112.522 179.353 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 101' ' ' VAL . . . . . . . . . . . . . 40.6 t -50.65 -44.35 25.35 Favored 'Isoleucine or valine' 0 C--O 1.271 2.184 0 CA-C-N 123.279 2.763 . . . . 0.0 112.726 171.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 102' ' ' GLY . . . . . . . . . . . . . . . -64.34 -54.1 31.79 Favored Glycine 1 N--CA 1.389 -4.494 0 CA-C-O 116.799 -2.112 . . . . 0.0 109.78 171.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 103' ' ' LEU . . . . . . . . . . . . . 14.6 tp -58.76 -31.14 68.08 Favored 'General case' 0 N--CA 1.484 1.238 0 N-CA-C 118.828 2.899 . . . . 0.0 118.828 176.152 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 104' ' ' PHE . . . . . . . . . . . . . 35.4 m-85 -66.71 -34.28 77.51 Favored 'General case' 0 N--CA 1.42 -1.926 0 CA-C-N 122.169 2.259 . . . . 0.0 116.721 168.349 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 105' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -66.01 -36.89 84.5 Favored 'General case' 0 C--O 1.263 1.801 0 CA-C-O 114.888 -2.482 . . . . 0.0 107.139 173.409 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 106' ' ' ASP . . . . . . . . . . . . . 79.1 m-20 -68.39 -50.87 49.91 Favored 'General case' 0 C--O 1.185 -2.307 0 O-C-N 126.43 2.331 . . . . 0.0 110.447 171.278 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 107' ' ' THR . . . . . . . . . . . . . 97.2 m -56.18 -46.37 79.39 Favored 'General case' 0 C--N 1.284 -2.241 0 CA-C-O 124.902 2.287 . . . . 0.0 113.696 178.141 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 108' ' ' ASN . . . . . . . . . . . . . 57.6 t30 -62.38 -36.65 82.94 Favored 'General case' 0 C--O 1.201 -1.466 0 CA-C-O 113.25 -3.262 . . . . 0.0 113.426 169.603 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 109' ' ' LEU . . . . . . . . . . . . . 12.3 tp -64.61 -36.16 83.35 Favored 'General case' 0 N--CA 1.488 1.457 0 CA-C-N 124.491 3.314 . . . . 0.0 112.087 169.704 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 110' ' ' CYS . . . . . . . . . . . . . 40.0 t -57.47 -45.66 84.54 Favored 'General case' 0 C--O 1.263 1.781 0 O-C-N 117.373 -3.329 . . . . 0.0 110.182 171.39 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 111' ' ' ALA . . . . . . . . . . . . . . . -62.61 -47.23 84.66 Favored 'General case' 0 C--N 1.288 -2.083 0 CA-C-O 126.623 3.106 . . . . 0.0 112.906 -178.083 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 112' ' ' ILE . . . . . . . . . . . . . 19.3 mt -61.81 -45.82 97.86 Favored 'Isoleucine or valine' 0 N--CA 1.51 2.534 0 CA-C-N 110.545 -3.025 . . . . 0.0 110.548 178.246 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 113' ' ' HIS . . . . . . . . . . . . . 42.5 t60 -64.05 -33.41 75.68 Favored 'General case' 0 CA--C 1.554 1.113 0 O-C-N 127.767 3.167 . . . . 0.0 112.815 174.636 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 114' ' ' ALA . . . . . . . . . . . . . . . -67.98 -16.52 64.09 Favored 'General case' 0 CA--C 1.57 1.737 0 CA-C-O 117.531 -1.223 . . . . 0.0 112.458 175.592 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 115' ' ' LYS . . . . . . . . . . . . . 39.4 mtpt 70.46 42.33 0.9 Allowed 'General case' 0 N--CA 1.491 1.624 0 C-N-CA 128.764 2.826 . . . . 0.0 107.751 -174.323 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 116' ' ' ARG . . . . . . . . . . . . . 41.9 mtm105 -117.18 142.5 46.96 Favored 'General case' 0 C--N 1.389 2.315 0 C-N-CA 126.562 1.945 . . . . 0.0 110.183 162.612 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 117' ' ' VAL . . . . . . . . . . . . . 96.4 t -62.15 -47.86 91.16 Favored 'Isoleucine or valine' 0 C--O 1.251 1.141 0 CA-C-O 123.335 1.541 . . . . 0.0 108.699 156.151 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 118' ' ' THR . . . . . . . . . . . . . 32.7 m -84.46 132.95 34.5 Favored 'General case' 0 CA--C 1.583 2.216 0 O-C-N 117.769 -3.082 . . . . 0.0 107.545 -159.528 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 119' ' ' ILE . . . . . . . . . . . . . 13.2 pt -74.01 142.51 14.73 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.012 0 O-C-N 125.438 1.712 . . . . 0.0 113.787 161.4 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 120' ' ' MET . . . . . . . . . . . . . 73.9 mtm -134.1 168.73 16.4 Favored Pre-proline 0 N--CA 1.496 1.843 0 O-C-N 124.704 1.252 . . . . 0.0 112.686 171.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 121' ' ' PRO . . . . . . . . . . . . . 34.3 Cg_exo -61.13 -27.98 84.9 Favored 'Trans proline' 0 CA--C 1.559 1.742 0 N-CA-C 116.99 1.881 . . . . 0.0 116.99 -173.069 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 122' ' ' LYS . . . . . . . . . . . . . 22.9 ttmt -38.06 -41.91 0.61 Allowed 'General case' 0 N--CA 1.493 1.711 1 N-CA-C 122.211 4.152 . . . . 0.0 122.211 154.772 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 123' ' ' ASP . . . . . . . . . . . . . 91.8 m-20 -78.41 -46.28 20.25 Favored 'General case' 0 CA--C 1.608 3.195 0 C-N-CA 126.834 2.053 . . . . 0.0 108.689 -167.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 124' ' ' ILE . . . . . . . . . . . . . 15.1 tt -70.97 -26.32 27.4 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.843 0 N-CA-C 114.804 1.409 . . . . 0.0 114.804 175.699 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 125' ' ' GLN . . . . . . . . . . . . . 60.3 mm-40 -71.21 -45.95 62.25 Favored 'General case' 0 C--O 1.257 1.485 0 O-C-N 119.27 -2.144 . . . . 0.0 111.178 169.63 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 126' ' ' LEU . . . . . 0.407 HD22 ' HA ' ' D' ' 93' ' ' THR 0.29 51.1 mt -60.82 -38.37 85.19 Favored 'General case' 0 C--N 1.351 0.634 0 CA-C-N 115.223 -0.899 . . . . 0.0 111.261 178.742 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' E' E ' 127' ' ' ALA . . . . . . . . . . . . . . . -63.03 -37.67 88.1 Favored 'General case' 0 N--CA 1.416 -2.159 0 CA-C-O 116.417 -1.754 . . . . 0.0 111.274 169.029 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 128' ' ' ARG . . . . . . . . . . . . . 46.1 ttt-85 -56.42 -45.22 80.81 Favored 'General case' 0 N--CA 1.501 2.115 0 CA-C-N 124.261 3.21 . . . . 0.0 111.441 167.642 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 129' ' ' ARG . . . . . 0.43 ' HE ' ' HB3' ' E' ' 133' ' ' GLU . 36.4 mmm-85 -63.34 -39.84 95.64 Favored 'General case' 0 N--CA 1.441 -0.88 0 CA-C-N 120.197 1.362 . . . . 0.0 108.311 178.489 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 130' ' ' ILE . . . . . . . . . . . . 0.252 4.0 tt -66.75 -30.4 49.55 Favored 'Isoleucine or valine' 0 CA--C 1.587 2.391 0 O-C-N 117.816 -3.052 . . . . 0.0 109.244 -167.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 131' ' ' ARG . . . . . . . . . . . . . 62.8 mtp85 -93.23 35.2 1.09 Allowed 'General case' 0 C--N 1.282 -2.357 0 CA-C-O 123.615 1.674 . . . . 0.0 110.919 -178.23 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 132' ' ' GLY . . . . . . . . . . . . . . . 69.09 27.59 73.69 Favored Glycine 0 C--N 1.292 -1.906 0 O-C-N 119.281 -2.137 . . . . 0.0 114.355 174.522 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 133' ' ' GLU . . . . . 0.43 ' HB3' ' HE ' ' E' ' 129' ' ' ARG 0.532 4.8 pm0 36.92 -83.31 0.0 OUTLIER 'General case' 0 N--CA 1.526 3.371 0 N-CA-C 117.103 2.26 . . . . 0.0 117.103 -169.282 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' E' E ' 134' ' ' ARG . . . . . . . . . . . . . 17.7 mmt85 . . . . . 0 C--O 1.285 2.974 0 C-N-CA 127.889 2.476 . . . . 0.0 111.539 -162.119 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' F' F ' 20' ' ' LYS . . . . . . . . . . . . . 28.9 ttpt . . . . . 0 CA--C 1.566 1.563 0 CA-C-O 116.72 -1.61 . . . . 0.0 111.116 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' F' F ' 21' ' ' VAL . . . . . . . . . . . . . 28.9 m -108.75 161.63 7.04 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.173 0 CA-C-N 121.778 2.081 . . . . 0.0 110.642 172.547 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 22' ' ' LEU . . . . . . . . . . . . 0.263 37.9 tp -50.34 -34.88 25.45 Favored 'General case' 0 C--O 1.169 -3.14 0 N-CA-C 116.492 2.034 . . . . 0.0 116.492 -178.066 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 23' ' ' ARG . . . . . . . . . . . . . 16.6 ttt180 -51.78 -30.3 22.45 Favored 'General case' 0 N--CA 1.494 1.731 0 CA-C-O 127.083 3.325 . . . . 0.0 119.313 173.448 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 24' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -64.21 -32.5 74.11 Favored 'General case' 0 C--N 1.295 -1.79 0 C-N-CA 130.705 3.602 . . . . 0.0 111.75 170.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 25' ' ' ASN . . . . . . . . . . . . 0.332 2.4 m120 -106.89 11.94 29.41 Favored 'General case' 0 C--N 1.295 -1.803 1 C-N-CA 132.951 4.5 . . . . 0.0 114.159 -171.775 . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' F' F ' 26' ' ' ILE . . . . . . . . . . . . 0.253 60.4 mt -66.82 117.47 7.93 Favored 'Isoleucine or valine' 0 N--CA 1.53 3.54 0 O-C-N 117.634 -3.166 . . . . 0.0 110.728 160.666 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 27' ' ' GLN . . . . . . . . . . . . . 83.3 mm-40 -107.35 143.76 35.19 Favored 'General case' 0 N--CA 1.432 -1.363 0 O-C-N 125.714 1.884 . . . . 0.0 114.798 -176.22 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 28' ' ' GLY . . . . . . . . . . . . . . . -91.84 -15.56 54.08 Favored Glycine 0 N--CA 1.51 3.604 1 CA-C-O 113.303 -4.054 . . . . 0.0 111.213 171.545 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 29' ' ' ILE . . . . . 0.403 HD12 HG12 ' F' ' 34' ' ' ILE . 2.5 pt -150.56 128.67 2.68 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.945 0 CA-C-N 123.839 3.819 . . . . 0.0 109.581 -171.744 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 30' ' ' THR . . . . . . . . . . . . . 66.3 p -78.81 162.99 25.71 Favored 'General case' 0 N--CA 1.532 3.661 0 C-N-CA 125.502 1.521 . . . . 0.0 111.847 177.649 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 31' ' ' LYS . . . . . 0.46 ' HB2' ' HD3' ' F' ' 32' ' ' PRO . 84.0 mttt -58.12 -43.9 98.79 Favored Pre-proline 0 C--N 1.293 -1.862 0 O-C-N 119.404 -2.06 . . . . 0.0 113.179 178.566 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 32' ' ' PRO . . . . . 0.46 ' HD3' ' HB2' ' F' ' 31' ' ' LYS . 18.6 Cg_exo -57.71 -41.06 74.27 Favored 'Trans proline' 0 C--N 1.297 -2.169 0 C-N-CA 124.343 3.362 . . . . 0.0 117.021 171.081 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.96 -39.13 76.2 Favored 'General case' 0 CA--C 1.586 2.365 0 O-C-N 124.692 1.245 . . . . 0.0 111.101 176.097 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 34' ' ' ILE . . . . . 0.403 HG12 HD12 ' F' ' 29' ' ' ILE . 73.7 mt -60.82 -43.07 94.67 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.406 0 N-CA-C 113.191 0.811 . . . . 0.0 113.191 172.012 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 35' ' ' ARG . . . . . . . . . . . . . 3.5 tmt_? -59.39 -32.07 69.82 Favored 'General case' 1 N--CA 1.552 4.664 0 N-CA-C 116.249 1.944 . . . . 0.0 116.249 167.403 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 36' ' ' ARG . . . . . . . . . . . . . 41.7 ttm105 -75.32 -45.1 41.68 Favored 'General case' 0 CA--C 1.576 1.966 0 N-CA-C 106.012 -1.847 . . . . 0.0 106.012 -178.26 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 37' ' ' LEU . . . . . . . . . . . . . 37.1 mt -58.26 -42.86 87.39 Favored 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 126.875 2.07 . . . . 0.0 112.475 175.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 38' ' ' ALA . . . . . . . . . . . . 0.259 . . -59.58 -48.58 81.1 Favored 'General case' 0 C--O 1.249 1.055 0 CA-C-N 110.646 -2.979 . . . . 0.0 112.126 173.248 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 39' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? -55.23 -41.55 72.23 Favored 'General case' 0 C--O 1.206 -1.209 0 C-N-CA 127.44 2.296 . . . . 0.0 112.963 175.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 40' ' ' ARG . . . . . . . . . . . . . 10.0 mmt85 -76.02 -14.21 60.22 Favored 'General case' 0 N--CA 1.508 2.475 0 C-N-CA 127.932 2.493 . . . . 0.0 114.143 174.713 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 41' ' ' GLY . . . . . . . . . . . . . . . -89.47 13.86 62.75 Favored Glycine 0 CA--C 1.559 2.834 0 C-N-CA 127.334 2.397 . . . . 0.0 113.157 160.33 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 42' ' ' GLY . . . . . . . . . . . . . . . 65.73 13.56 59.2 Favored Glycine 0 N--CA 1.481 1.69 0 N-CA-C 120.833 3.093 . . . . 0.0 120.833 177.363 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 43' ' ' VAL . . . . . . . . . . . . . 35.8 t -60.04 138.91 20.34 Favored 'Isoleucine or valine' 0 N--CA 1.523 3.214 0 C-N-CA 125.857 1.663 . . . . 0.0 110.436 176.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 44' ' ' LYS . . . . . . . . . . . . . 89.6 mttt -90.35 -43.31 10.41 Favored 'General case' 0 C--N 1.349 0.56 0 N-CA-C 116.928 2.195 . . . . 0.0 116.928 164.059 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 45' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -138.4 142.93 39.57 Favored 'General case' 0 N--CA 1.519 3.018 0 CA-C-O 115.011 -2.423 . . . . 0.0 115.914 -167.797 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 46' ' ' ILE . . . . . . . . . . . . . 89.2 mt -130.16 126.25 61.36 Favored 'Isoleucine or valine' 0 C--O 1.266 1.93 0 N-CA-C 115.427 1.64 . . . . 0.0 115.427 -171.194 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 47' ' ' SER . . . . . . . . . . . . . 21.3 t -60.12 128.34 36.32 Favored 'General case' 0 N--CA 1.507 2.414 0 O-C-N 118.337 -2.727 . . . . 0.0 111.278 160.047 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 48' ' ' GLY . . . . . . . . . . . . . . . -56.63 -18.12 22.73 Favored Glycine 0 CA--C 1.542 1.726 0 N-CA-C 120.502 2.961 . . . . 0.0 120.502 179.719 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 49' ' ' LEU . . . . . . . . . . . . . 30.7 mt -71.02 -7.22 44.8 Favored 'General case' 0 CA--C 1.582 2.182 0 CA-C-N 111.544 -2.328 . . . . 0.0 116.665 168.162 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 50' ' ' ILE . . . . . . . . . . . . . 9.7 mm -74.34 -26.4 20.44 Favored 'Isoleucine or valine' 0 CA--C 1.477 -1.834 0 O-C-N 118.829 -2.419 . . . . 0.0 110.29 171.666 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 51' ' ' TYR . . . . . . . . . . . . . 43.8 m-85 -68.83 -23.76 64.29 Favored 'General case' 0 C--N 1.307 -1.246 0 O-C-N 118.855 -2.403 . . . . 0.0 115.261 174.203 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 52' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -76.23 -59.29 2.83 Favored 'General case' 0 CA--C 1.572 1.802 0 C-N-CA 127.918 2.487 . . . . 0.0 109.676 163.178 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 53' ' ' GLU . . . . . . . . . . . . . 19.2 tp10 -60.78 -40.83 94.03 Favored 'General case' 0 CA--C 1.57 1.73 0 N-CA-C 120.491 3.515 . . . . 0.0 120.491 -167.16 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 54' ' ' THR . . . . . . . . . . . . . 3.7 m -57.73 -37.9 74.37 Favored 'General case' 0 C--N 1.312 -1.025 0 CA-C-O 124.734 2.207 . . . . 0.0 112.558 170.244 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 55' ' ' ARG . . . . . . . . . . . . . 47.3 mtt180 -69.24 -35.12 75.81 Favored 'General case' 0 N--CA 1.534 3.766 0 O-C-N 116.993 -3.567 . . . . 0.0 110.718 179.601 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 56' ' ' GLY . . . . . . . . . . . . . . . -70.87 -40.5 63.75 Favored Glycine 1 CA--C 1.597 5.186 0 C-N-CA 126.938 2.209 . . . . 0.0 112.985 175.2 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 57' ' ' VAL . . . . . . . . . . . . . 4.3 t -66.23 -35.28 74.61 Favored 'Isoleucine or valine' 0 N--CA 1.419 -1.996 0 N-CA-C 115.355 1.613 . . . . 0.0 115.355 170.414 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 58' ' ' LEU . . . . . . . . . . . . . 29.6 tp -71.69 -34.44 69.65 Favored 'General case' 0 C--O 1.289 3.138 0 C-N-CA 116.387 -2.125 . . . . 0.0 115.006 168.063 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 59' ' ' LYS . . . . . . . . . . . . . 5.3 ttpm? -63.11 -28.82 70.33 Favored 'General case' 0 C--N 1.388 2.244 0 N-CA-C 116.914 2.19 . . . . 0.0 116.914 175.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 60' ' ' VAL . . . . . . . . . . . . . 7.3 t -74.63 -42.03 48.28 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.16 0 N-CA-C 118.277 2.695 . . . . 0.0 118.277 164.137 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 61' ' ' PHE . . . . . . . . . . . . . 8.2 t80 -57.2 -48.9 77.61 Favored 'General case' 0 N--CA 1.491 1.607 0 CA-C-O 122.825 1.297 . . . . 0.0 108.268 177.253 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 62' ' ' LEU . . . . . . . . . . . . . 84.6 mt -71.48 -40.72 70.06 Favored 'General case' 0 C--N 1.39 2.365 0 N-CA-C 115.777 1.769 . . . . 0.0 115.777 -175.12 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 63' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -68.56 -28.64 67.14 Favored 'General case' 0 C--O 1.258 1.526 0 CA-C-N 119.158 0.89 . . . . 0.0 112.155 -176.402 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 64' ' ' ASN . . . . . . . . . . . . . 40.2 m-80 -58.84 -59.57 5.22 Favored 'General case' 0 CA--C 1.599 2.837 0 C-N-CA 128.734 2.814 . . . . 0.0 110.228 162.034 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 65' ' ' VAL . . . . . . . . . . . . 0.293 9.7 t -62.33 -44.08 98.79 Favored 'Isoleucine or valine' 1 N--CA 1.54 4.044 0 O-C-N 124.76 1.288 . . . . 0.0 109.525 -174.694 . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' F' F ' 66' ' ' ILE . . . . . . . . . . . . . 25.4 mt -62.51 -46.2 96.97 Favored 'Isoleucine or valine' 0 C--O 1.254 1.314 0 C-N-CA 127.569 2.348 . . . . 0.0 111.542 179.258 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 67' ' ' ARG . . . . . . . . . . . . . 25.7 mtm105 -64.04 -23.44 67.33 Favored 'General case' 0 N--CA 1.499 1.991 0 N-CA-C 116.474 2.028 . . . . 0.0 116.474 177.379 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 68' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -81.11 -49.83 10.38 Favored 'General case' 0 C--O 1.204 -1.324 0 O-C-N 118.795 -2.44 . . . . 0.0 107.818 172.704 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 69' ' ' ALA . . . . . . . . . . . . . . . -64.19 -37.4 87.34 Favored 'General case' 0 C--O 1.184 -2.373 0 O-C-N 120.54 -1.35 . . . . 0.0 114.008 -173.252 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 70' ' ' VAL . . . . . . . . . . . . . 24.0 t -68.75 -36.18 73.13 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.699 0 N-CA-C 106.831 -1.544 . . . . 0.0 106.831 174.3 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 71' ' ' THR . . . . . . . . . . . . . 88.8 m -59.05 -44.06 91.77 Favored 'General case' 0 N--CA 1.425 -1.679 0 CA-C-O 115.008 -2.425 . . . . 0.0 114.033 173.564 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 72' ' ' TYR . . . . . . . . . . . . . 17.8 m-85 -68.06 -24.65 65.1 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 121.93 2.15 . . . . 0.0 113.663 173.289 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 73' ' ' THR . . . . . . . . . . . . . 94.1 m -80.3 -41.93 23.99 Favored 'General case' 0 CA--C 1.543 0.708 0 CA-C-O 122.395 1.093 . . . . 0.0 111.729 -175.308 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 74' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -60.13 -42.72 95.43 Favored 'General case' 0 CA--C 1.479 -1.781 0 C-N-CA 126.654 1.982 . . . . 0.0 109.966 172.355 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 75' ' ' HIS . . . . . . . . . . . . . 48.4 t-80 -79.12 -37.12 39.39 Favored 'General case' 0 N--CA 1.411 -2.41 0 CA-C-O 125.416 2.532 . . . . 0.0 112.658 -167.368 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 76' ' ' ALA . . . . . . . . . . . . . . . -69.94 10.55 0.39 Allowed 'General case' 0 C--O 1.275 2.421 0 O-C-N 116.854 -3.654 . . . . 0.0 114.613 158.676 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 77' ' ' LYS . . . . . . . . . . . . . 32.9 mmtm 70.31 13.34 7.59 Favored 'General case' 0 N--CA 1.496 1.836 0 C-N-CA 128.553 2.741 . . . . 0.0 116.522 169.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 78' ' ' ARG . . . . . . . . . . . . . 21.3 mtm105 -90.72 149.16 22.15 Favored 'General case' 0 C--N 1.296 -1.735 0 C-N-CA 127.233 2.213 . . . . 0.0 112.99 -173.721 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 79' ' ' LYS . . . . . . . . . . . . . 27.0 ttmt -78.37 -43.29 28.01 Favored 'General case' 0 N--CA 1.503 2.224 1 O-C-N 114.285 -5.259 . . . . 0.0 109.956 158.718 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 80' ' ' THR . . . . . . . . . . . . . 11.1 t -87.89 125.82 34.7 Favored 'General case' 0 N--CA 1.518 2.938 0 CA-C-N 115.166 -0.925 . . . . 0.0 110.836 -170.62 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 81' ' ' VAL . . . . . . . . . . . . . 48.7 t -73.6 129.33 36.32 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.952 1 C-N-CA 132.187 4.195 . . . . 0.0 107.688 174.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 82' ' ' THR . . . . . . . . . . . . 0.298 18.2 p -104.73 158.91 16.19 Favored 'General case' 0 C--O 1.26 1.64 0 O-C-N 120.679 -1.263 . . . . 0.0 113.185 -176.456 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 83' ' ' ALA . . . . . . . . . . . . . . . -62.13 -38.52 89.25 Favored 'General case' 0 CA--C 1.488 -1.418 0 CA-C-N 121.082 1.765 . . . . 0.0 111.901 178.15 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 84' ' ' MET . . . . . . . . . . . . . 31.5 ttp -60.31 -28.82 68.43 Favored 'General case' 0 N--CA 1.523 3.192 0 O-C-N 119.989 -1.695 . . . . 0.0 111.926 171.686 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 85' ' ' ASP . . . . . . . . . . . . . 25.7 m-20 -76.23 -29.13 57.43 Favored 'General case' 0 N--CA 1.481 1.075 1 O-C-N 114.861 -4.9 . . . . 0.0 114.367 178.19 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 86' ' ' VAL . . . . . . . . . . . . . 70.3 t -73.05 -51.24 27.23 Favored 'Isoleucine or valine' 0 N--CA 1.519 3.01 0 CA-C-O 114.447 -2.692 . . . . 0.0 111.613 169.036 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 87' ' ' VAL . . . . . . . . . . . . . 24.8 t -65.87 -31.69 54.84 Favored 'Isoleucine or valine' 0 CA--C 1.596 2.725 0 CA-C-O 123.401 1.572 . . . . 0.0 108.744 -179.122 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 88' ' ' TYR . . . . . . . . . . . . . 37.8 t80 -79.56 -22.67 43.51 Favored 'General case' 0 C--N 1.295 -1.782 0 O-C-N 118.443 -2.661 . . . . 0.0 114.094 178.032 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 89' ' ' ALA . . . . . . . . . . . . . . . -75.53 -36.57 60.47 Favored 'General case' 0 CA--C 1.468 -2.197 0 C-N-CA 119.289 -0.964 . . . . 0.0 110.845 164.331 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 90' ' ' LEU . . . . . . . . . . . . . 42.1 tp -65.68 -1.04 2.41 Favored 'General case' 0 N--CA 1.49 1.568 0 CA-C-O 123.762 1.744 . . . . 0.0 114.811 -177.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 91' ' ' LYS . . . . . . . . . . . . . 25.4 pttm -66.44 -25.97 66.99 Favored 'General case' 0 C--N 1.377 1.764 0 O-C-N 119.398 -2.064 . . . . 0.0 113.468 172.202 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 92' ' ' ARG . . . . . . . . . . . . . 58.9 ttm-85 -65.47 -34.88 79.32 Favored 'General case' 0 CA--C 1.51 -0.562 0 C-N-CA 129.119 2.968 . . . . 0.0 113.039 -171.415 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 93' ' ' GLN . . . . . . . . . . . . . 21.5 mp0 -73.08 -7.08 49.71 Favored 'General case' 0 CA--C 1.575 1.937 0 CA-C-O 115.353 -2.261 . . . . 0.0 110.82 -179.211 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 94' ' ' GLY . . . . . . . . . . . . . . . 65.63 -169.43 29.69 Favored Glycine 0 CA--C 1.496 -1.095 0 C-N-CA 127.495 2.474 . . . . 0.0 108.61 -173.583 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 95' ' ' ARG . . . . . . . . . . . . . 81.8 mmt-85 -121.57 146.92 46.47 Favored 'General case' 0 CA--C 1.481 -1.707 0 CA-C-O 127.462 3.506 . . . . 0.0 110.401 158.751 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 96' ' ' THR . . . . . . . . . . . . . 33.6 m -122.08 137.32 54.86 Favored 'General case' 0 C--O 1.208 -1.102 0 O-C-N 116.945 -3.597 . . . . 0.0 106.383 -170.129 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 97' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -139.44 129.34 24.87 Favored 'General case' 0 N--CA 1.523 3.183 0 N-CA-C 101.478 -3.527 . . . . 0.0 101.478 -166.322 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 98' ' ' TYR . . . . . . . . . . . . . 16.7 m-30 -68.19 7.71 0.54 Allowed 'General case' 0 N--CA 1.5 2.071 0 C-N-CA 128.798 2.839 . . . . 0.0 110.592 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 99' ' ' GLY . . . . . . . . . . . . . . . -171.59 179.56 43.25 Favored Glycine 1 C--O 1.3 4.245 0 CA-C-N 121.834 2.106 . . . . 0.0 115.555 -174.854 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 100' ' ' PHE . . . . . . . . . . . . . 31.2 m-85 -78.17 -43.9 27.37 Favored 'General case' 0 C--O 1.202 -1.431 0 CA-C-N 114.107 -1.047 . . . . 0.0 112.482 174.023 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.548 6.115 0 N-CA-C 109.18 -1.568 . . . . 0.0 109.18 -167.163 . . . . . . . . 1 1 . 1 stop_ save_