data_2yuw_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 2yuw _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.1 m -90.86 172.33 8.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.778 0.323 . . . . 0.0 111.194 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -99.64 143.69 26.91 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.644 0.735 . . . . 0.0 110.876 -179.857 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 167.64 23.9 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.663 2.242 . . . . 0.0 112.342 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.454 ' CD ' ' HA ' ' A' ' 83' ' ' LYS . 54.2 Cg_endo -69.71 120.61 7.38 Favored 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 122.686 2.257 . . . . 0.0 112.348 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 64.0 p -107.91 -177.25 3.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.159 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 29.9 mt 50.83 50.15 19.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.911 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.576 ' CD1' ' CD2' ' A' ' 96' ' ' TYR . 2.6 tm? -85.8 113.96 22.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.924 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.493 ' CG2' ' N ' ' A' ' 16' ' ' VAL . 3.5 m -147.38 157.69 43.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.154 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.493 ' N ' ' CG2' ' A' ' 15' ' ' THR . 4.7 t -81.45 127.34 39.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.143 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 37.9 t0 -81.79 -56.39 4.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.86 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 7.9 t -146.43 157.12 43.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.882 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 91.7 t -133.13 139.54 49.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.143 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.446 ' O ' ' N ' ' A' ' 22' ' ' THR . 0.7 OUTLIER -142.88 131.72 22.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.134 -179.918 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -41.42 -24.82 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.834 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.446 ' N ' ' O ' ' A' ' 20' ' ' THR . 5.7 p -83.91 -53.4 5.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.171 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 6.5 p -145.12 168.95 19.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.104 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 16.2 m -119.71 144.66 27.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.12 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 54.4 m -109.91 138.08 46.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.172 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 92.2 mmm -133.97 129.91 36.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.91 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 15.9 ptm180 -117.76 156.81 27.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.847 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 16.1 p90 -156.62 161.95 39.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -108.82 149.79 39.99 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.598 0.713 . . . . 0.0 110.894 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 165.71 30.07 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.691 2.26 . . . . 0.0 112.354 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 152.89 69.5 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.66 2.24 . . . . 0.0 112.373 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 69.4 m-20 -56.98 -30.35 64.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.855 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 76.7 m-70 -145.91 169.66 18.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.866 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 6.2 mm . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.129 -179.975 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.0 tp -82.49 130.28 35.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.78 0.324 . . . . 0.0 110.952 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -109.58 94.38 5.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 42.07 -158.04 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.475 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -143.17 171.65 13.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.927 0.394 . . . . 0.0 110.924 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 49.0 t -132.78 138.77 51.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.155 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.3 tt -129.92 129.59 44.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.927 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.449 ' OE1' ' C ' ' A' ' 55' ' ' ILE . 5.7 mm-40 -125.13 161.76 26.12 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.905 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 12.4 p90 -149.58 133.51 17.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.931 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.46 ' HB2' ' CD2' ' A' ' 54' ' ' TRP . 1.2 t -106.91 130.77 54.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.866 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -87.29 136.15 33.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.873 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -57.4 140.61 49.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.887 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 93.55 -3.62 71.93 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.496 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 15.3 p -115.59 178.34 4.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.746 0.308 . . . . 0.0 111.148 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.45 ' CD ' ' N ' ' A' ' 52' ' ' GLU . 0.4 OUTLIER -129.04 3.29 5.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.913 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -127.79 141.91 51.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.933 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . 0.506 ' CH2' ' HD3' ' A' ' 81' ' ' ARG . 43.9 m95 -82.19 153.85 25.77 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.908 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.449 ' C ' ' OE1' ' A' ' 45' ' ' GLU . 47.5 mt -112.27 120.42 62.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.163 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.418 ' HA ' ' CD ' ' A' ' 45' ' ' GLU . 58.2 t -56.53 146.93 5.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.167 179.821 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.46 ' HB1' ' CZ ' ' A' ' 67' ' ' PHE . . . -116.65 -53.13 2.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.105 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -77.95 134.35 37.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.894 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 46.0 tttt -67.99 -65.49 0.69 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.831 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -113.15 -72.25 0.71 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.885 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 13.2 mt -146.99 140.64 25.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.903 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 54.3 mt -86.1 104.69 13.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.135 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 27.5 m-20 -66.12 -60.1 3.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.852 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 26.6 mmtp -67.63 169.02 10.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.932 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 11.1 p -91.89 8.64 36.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.146 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 38.6 mtpt -124.7 152.64 43.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.918 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.46 ' CZ ' ' HB1' ' A' ' 57' ' ' ALA . 58.6 t80 -148.57 145.89 28.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.908 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 55.1 m -131.41 125.48 32.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.116 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 27.8 mt -82.53 106.38 13.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.124 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 37.9 p -82.19 150.0 27.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.157 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 71.19 75.77 0.61 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.46 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 27.6 mt -134.77 133.67 21.39 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.638 0.733 . . . . 0.0 110.893 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 129.59 17.92 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.734 2.289 . . . . 0.0 112.323 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 10.1 m -57.52 143.33 41.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.176 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 35.5 t70 64.88 41.26 4.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.878 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -123.74 132.02 53.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.093 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 72.3 mttt -94.94 125.25 39.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.849 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 11.7 pt -129.66 148.16 33.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.098 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -98.6 127.2 44.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.866 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 53.5 t -106.14 139.07 28.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.162 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.506 ' HD3' ' CH2' ' A' ' 54' ' ' TRP . 24.6 ptt85 -148.96 132.29 16.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.877 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 19.1 m -126.56 160.95 33.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.119 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.454 ' HA ' ' CD ' ' A' ' 11' ' ' PRO . 0.0 OUTLIER -155.53 170.86 20.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 179.928 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.4 ' N ' ' HD3' ' A' ' 11' ' ' PRO . . . -95.08 135.24 36.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.12 179.829 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 55.4 t -126.46 109.8 21.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.092 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . 0.73 HD21 ' N ' ' A' ' 86' ' ' ASN . 0.5 OUTLIER -117.6 160.85 20.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.89 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -55.01 -14.37 1.48 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.124 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -85.11 -35.94 21.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.135 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 173.18 -125.77 1.18 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.508 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -157.01 159.64 38.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.821 0.343 . . . . 0.0 111.071 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.0 t -105.88 166.42 10.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.855 -179.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -61.97 143.65 94.48 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.603 0.716 . . . . 0.0 110.866 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 145.98 58.59 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.663 2.242 . . . . 0.0 112.343 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 19.4 tptp -98.38 123.51 42.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.88 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 68.5 m-85 -102.38 112.88 25.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.987 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . 0.576 ' CD2' ' CD1' ' A' ' 14' ' ' LEU . 0.3 OUTLIER -63.8 117.79 7.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.932 -179.864 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' SER . . . . . 0.438 ' C ' ' O ' ' A' ' 96' ' ' TYR . 1.4 t -34.63 -55.88 0.54 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.867 -179.814 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 11.3 mm100 -113.16 146.87 36.11 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.566 0.698 . . . . 0.0 110.947 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 162.02 43.7 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.684 2.256 . . . . 0.0 112.324 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.433 ' N ' ' CD1' ' A' ' 100' ' ' ILE . 3.0 mp -107.3 113.16 42.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.136 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 14.0 tp -84.99 129.44 34.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.41 ' O ' ' CG1' ' A' ' 102' ' ' VAL . 11.2 p -78.37 67.3 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.092 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 21.4 tptt -130.84 138.67 49.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.95 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 13.5 tm-20 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.934 179.96 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.405 ' CG2' ' N ' ' A' ' 9' ' ' SER . 87.8 m -92.05 159.64 15.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.79 0.328 . . . . 0.0 111.142 -179.867 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.405 ' N ' ' CG2' ' A' ' 8' ' ' THR . 1.8 m -80.93 146.55 59.64 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.605 0.717 . . . . 0.0 110.85 -179.846 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 169.96 17.7 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.669 2.246 . . . . 0.0 112.338 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 124.83 11.47 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.653 2.235 . . . . 0.0 112.345 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 82.4 p -105.53 167.15 9.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.145 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 38.3 mt 57.88 49.42 11.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.924 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -81.16 109.04 15.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.902 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.485 ' CG2' ' N ' ' A' ' 16' ' ' VAL . 4.4 m -141.29 157.32 45.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.153 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.485 ' N ' ' CG2' ' A' ' 15' ' ' THR . 16.6 t -74.89 133.58 31.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.158 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -88.55 -52.48 5.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.2 t -139.93 171.7 13.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.845 -179.757 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 53.2 t -157.95 127.83 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.113 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.429 ' O ' ' CG2' ' A' ' 102' ' ' VAL . 3.4 m -140.01 150.1 44.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.154 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -58.63 -11.44 3.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.883 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 14.8 p -100.61 -50.61 3.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.129 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 18.4 p -143.87 167.09 23.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.146 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.466 ' CG2' HD13 ' A' ' 69' ' ' ILE . 34.2 m -123.74 151.54 28.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.138 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 85.2 m -121.6 141.95 50.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.134 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 88.4 mmm -131.89 143.63 50.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 4.7 ptm180 -132.44 155.51 48.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.827 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 43.2 p90 -164.03 159.87 21.11 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.474 ' NE ' ' HA ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -101.32 145.73 30.95 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.616 0.722 . . . . 0.0 110.855 -179.936 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 169.99 17.68 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.653 2.235 . . . . 0.0 112.357 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.428 ' O ' ' C ' ' A' ' 32' ' ' ASP . 53.7 Cg_endo -69.71 126.0 12.83 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.678 2.252 . . . . 0.0 112.347 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.428 ' C ' ' O ' ' A' ' 31' ' ' PRO . 16.0 t70 -35.9 -37.64 0.11 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.853 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 6.9 t60 -146.26 155.78 42.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 39.6 mm . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.176 179.951 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.367 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 6.3 tp -108.88 123.4 49.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.828 0.347 . . . . 0.0 110.957 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.447 ' O ' ' C ' ' A' ' 41' ' ' GLY . 3.6 m-20 -98.85 94.53 6.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.872 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.447 ' C ' ' O ' ' A' ' 40' ' ' ASP . . . 34.25 -147.51 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.515 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -150.79 177.39 10.14 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.959 0.409 . . . . 0.0 110.886 -179.77 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 74.8 t -130.99 130.14 63.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.124 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.3 tt -128.6 132.28 48.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.973 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -133.17 177.47 7.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.904 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.46 ' CE1' HG23 ' A' ' 55' ' ' ILE . 23.6 p90 -153.78 128.4 9.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 -179.845 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 41.0 t -104.63 105.73 15.94 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.904 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -54.01 174.73 0.05 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.845 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -94.62 16.86 14.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.925 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -140.39 30.45 2.32 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.497 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 9.2 p -149.76 164.29 35.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.778 0.323 . . . . 0.0 111.148 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -115.62 18.08 15.98 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.896 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -135.78 155.37 50.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.819 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . 0.606 ' CD1' ' NH2' ' A' ' 81' ' ' ARG . 85.4 m95 -88.75 128.84 35.63 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.946 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.46 HG23 ' CE1' ' A' ' 46' ' ' TYR . 24.5 mt -90.22 128.37 42.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.109 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 77.4 t -72.06 115.3 12.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.152 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -80.56 -57.78 3.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.114 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.424 ' HB3' ' CE1' ' A' ' 67' ' ' PHE . 9.2 p-10 -95.83 114.26 25.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 4.0 tmtm? -56.19 -47.33 78.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.889 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -110.39 158.62 18.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.833 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 18.5 mt -46.97 144.39 2.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.934 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 16.7 mt -91.7 132.85 35.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.107 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -94.48 -36.99 11.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 5.0 pttt -84.98 146.69 27.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.849 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 39.0 p -75.84 -3.91 37.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.115 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 19.0 ttmt -114.5 137.83 51.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.866 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.424 ' CE1' ' HB3' ' A' ' 58' ' ' ASN . 46.2 t80 -141.23 156.55 45.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.895 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.455 ' CG2' ' O ' ' A' ' 24' ' ' VAL . 41.0 m -144.97 118.25 8.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.142 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.466 HD13 ' CG2' ' A' ' 24' ' ' VAL . 16.7 mt -70.6 147.4 11.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.131 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 28.7 p -121.4 141.22 51.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.132 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 80.28 70.24 1.35 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.51 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 14.0 mt -131.34 132.97 23.94 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.597 0.713 . . . . 0.0 110.903 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 128.32 15.89 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.68 2.254 . . . . 0.0 112.385 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 18.0 m -54.45 142.72 26.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.144 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 23.4 t70 61.45 50.48 4.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.822 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.425 ' C ' HD12 ' A' ' 101' ' ' LEU . . . -127.88 135.45 50.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.108 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 78.9 mttt -92.17 129.57 38.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.935 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 2.8 pp -141.82 154.96 19.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.13 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.559 ' CE1' ' HB3' ' A' ' 99' ' ' PRO . 40.4 m-85 -103.81 143.49 32.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.862 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 57.9 t -125.85 129.52 72.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.143 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.606 ' NH2' ' CD1' ' A' ' 54' ' ' TRP . 30.6 ptt180 -140.23 130.86 25.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.864 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 33.1 m -120.14 152.03 22.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.116 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 28.7 pttt -150.71 159.32 44.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -98.37 129.78 45.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.112 179.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 89.7 t -119.92 120.92 64.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.16 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . 0.567 ' N ' ' ND2' ' A' ' 86' ' ' ASN . 0.0 OUTLIER -128.29 176.19 7.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -44.94 -52.14 9.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.108 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -49.24 -41.5 37.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.083 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 162.04 -144.06 9.37 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.521 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -118.52 162.82 17.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.773 0.32 . . . . 0.0 111.061 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 2.2 m -105.29 159.01 16.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.849 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -59.39 143.5 85.48 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.633 0.73 . . . . 0.0 110.877 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.83 152.79 69.03 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.691 2.261 . . . . 0.0 112.36 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 5.5 tmtm? -116.5 113.15 22.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.922 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -94.58 115.27 27.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.905 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . 0.5 ' CD1' ' N ' ' A' ' 97' ' ' SER . 37.5 t80 -57.33 167.45 0.95 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.894 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' SER . . . . . 0.5 ' N ' ' CD1' ' A' ' 96' ' ' TYR . 25.8 t -63.37 -72.64 0.13 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.819 -179.847 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 73.1 mt-30 -109.58 153.12 43.05 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.591 0.71 . . . . 0.0 110.935 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . 0.559 ' HB3' ' CE1' ' A' ' 79' ' ' PHE . 53.8 Cg_endo -69.82 127.78 15.03 Favored 'Trans proline' 0 N--CA 1.465 -0.168 0 C-N-CA 122.687 2.258 . . . . 0.0 112.369 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 4.4 mp -68.98 131.75 33.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.09 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.425 HD12 ' C ' ' A' ' 76' ' ' ALA . 12.2 tp -108.03 95.7 5.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.931 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.429 ' CG2' ' O ' ' A' ' 20' ' ' THR . 4.7 p -41.6 102.61 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.143 179.804 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . 0.423 ' HG3' ' N ' ' A' ' 104' ' ' GLU . 26.6 tptp -142.97 154.1 43.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.423 ' N ' ' HG3' ' A' ' 103' ' ' LYS . 4.0 tm-20 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.857 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.378 0 N-CA-C 112.526 -0.23 . . . . 0.0 112.526 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -111.34 148.9 31.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.793 0.33 . . . . 0.0 111.159 -179.86 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.3 m -78.26 149.9 76.51 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.684 0.754 . . . . 0.0 110.858 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 168.08 22.64 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.668 2.246 . . . . 0.0 112.319 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 136.15 32.28 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.686 2.258 . . . . 0.0 112.341 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 41.2 p -127.18 169.05 13.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.096 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 28.4 mt 61.63 50.95 4.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.893 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -92.85 117.48 30.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.9 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.42 ' CG2' ' N ' ' A' ' 16' ' ' VAL . 4.4 m -148.08 153.28 38.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.171 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.42 ' N ' ' CG2' ' A' ' 15' ' ' THR . 5.9 t -81.62 105.41 11.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.124 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -61.24 -65.98 0.61 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.0 m -123.47 174.89 7.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.857 -179.778 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.407 ' CG2' HG13 ' A' ' 16' ' ' VAL . 39.0 t -158.35 129.08 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.156 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -127.64 151.24 49.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.146 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 15.7 p-10 -65.93 -5.34 9.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.833 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 12.8 p -110.43 -29.31 8.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.129 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 21.9 p -158.84 167.89 28.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.123 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.44 ' O ' ' CG2' ' A' ' 68' ' ' THR . 20.1 m -118.85 165.57 14.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.117 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 89.8 m -133.91 117.51 16.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.148 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 81.3 mmm -115.71 118.19 32.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.862 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.413 ' HD3' ' C ' ' A' ' 27' ' ' ARG . 0.0 OUTLIER -109.36 154.22 22.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.847 -179.943 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 40.6 p90 -158.27 170.08 23.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 25.1 mtp180 -121.68 161.43 41.87 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.594 0.711 . . . . 0.0 110.88 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 165.67 30.1 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.684 2.256 . . . . 0.0 112.35 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 175.29 8.31 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.668 2.245 . . . . 0.0 112.331 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -48.09 -40.15 22.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.908 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 5.0 t60 -173.54 156.21 2.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.879 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 26.3 mm . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.113 179.999 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.4 tp -133.69 137.51 45.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.809 0.337 . . . . 0.0 110.916 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -124.39 96.15 4.8 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 179.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.44 ' C ' ' CD1' ' A' ' 42' ' ' TYR . . . 44.9 -168.36 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.493 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.592 ' N ' ' CD1' ' A' ' 42' ' ' TYR . 0.1 OUTLIER -139.69 171.64 13.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.938 0.399 . . . . 0.0 110.892 -179.777 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 94.3 t -114.35 133.46 60.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.137 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 6.0 tt -136.2 134.17 37.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.919 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -141.93 163.62 32.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.496 ' CE1' HG23 ' A' ' 55' ' ' ILE . 27.4 p90 -136.11 137.43 41.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 -179.839 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.492 ' HB2' ' CD2' ' A' ' 54' ' ' TRP . 46.8 t -108.28 121.8 45.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.864 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -83.92 144.1 29.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.905 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -60.09 106.52 0.52 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.863 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 107.56 40.4 1.76 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.501 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 26.2 p -124.7 171.51 10.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.78 0.324 . . . . 0.0 111.136 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 69.7 mm-40 -104.82 -36.58 7.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.911 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -135.64 144.06 45.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.86 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . 0.504 ' CH2' ' CD ' ' A' ' 81' ' ' ARG . 54.6 m95 -52.23 151.76 3.71 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.96 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.496 HG23 ' CE1' ' A' ' 46' ' ' TYR . 5.2 mp -100.03 112.24 32.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.147 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 91.8 t -53.38 116.91 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.144 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -81.6 -63.38 1.41 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.111 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 9.3 p-10 -76.85 157.46 31.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.899 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 9.7 mmtp -79.93 -63.05 1.5 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.923 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -114.36 -66.91 1.04 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 12.9 mt -149.86 168.55 23.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.887 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 24.2 mt -111.79 103.8 16.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.155 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -56.12 -62.91 1.39 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.432 ' HA ' ' CE ' ' A' ' 64' ' ' LYS . 2.5 mmpt? -74.05 161.77 29.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.878 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -81.18 13.1 3.0 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.13 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 10.5 mmtm -122.86 160.28 26.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.88 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 22.9 t80 -163.03 145.7 10.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.44 ' CG2' ' O ' ' A' ' 24' ' ' VAL . 61.5 m -132.47 132.58 42.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.126 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 65.0 mt -86.41 134.15 28.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.139 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 65.5 p -111.52 129.33 56.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.141 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 94.83 69.62 1.07 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.493 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 15.2 mt -130.11 126.45 22.34 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.532 0.682 . . . . 0.0 110.964 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.457 ' O ' ' CB ' ' A' ' 76' ' ' ALA . 53.3 Cg_endo -69.78 130.99 20.28 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.696 2.264 . . . . 0.0 112.281 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.437 ' O ' ' CG ' ' A' ' 75' ' ' ASP . 57.7 m -49.46 156.81 0.58 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.106 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.437 ' CG ' ' O ' ' A' ' 74' ' ' THR . 0.9 OUTLIER 46.63 41.38 9.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.831 179.897 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.457 ' CB ' ' O ' ' A' ' 73' ' ' PRO . . . -120.38 127.33 52.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.09 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 66.9 mttt -93.49 133.51 36.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.89 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 17.3 pt -137.4 156.45 33.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.154 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -98.04 154.36 17.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 73.2 t -136.01 136.18 49.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.14 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.504 ' CD ' ' CH2' ' A' ' 54' ' ' TRP . 5.4 ptm180 -153.44 133.5 13.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.876 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 10.0 m -125.14 164.17 24.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.091 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 8.6 pttm -154.42 171.81 18.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.865 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -105.16 101.76 11.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.144 179.782 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 40.7 t -104.39 108.91 25.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.155 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . 0.434 ' ND2' ' N ' ' A' ' 86' ' ' ASN . 0.0 OUTLIER -125.51 -179.59 4.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -51.12 -42.18 60.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.1 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -57.97 -48.13 80.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.113 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 171.27 -133.46 2.76 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.502 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -136.62 155.94 49.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.786 0.327 . . . . 0.0 111.072 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.3 t -109.28 157.93 18.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -52.04 142.7 26.12 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.671 0.748 . . . . 0.0 110.839 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 153.85 68.61 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.71 2.274 . . . . 0.0 112.336 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 4.9 tppt? -104.01 99.27 9.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.937 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 63.5 m-85 -81.82 117.31 22.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.927 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . 0.424 ' O ' ' C ' ' A' ' 97' ' ' SER . 1.2 t80 -71.32 122.23 19.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.91 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' SER . . . . . 0.424 ' C ' ' O ' ' A' ' 96' ' ' TYR . 32.8 m -36.4 -70.15 0.1 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.829 -179.824 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -102.81 154.16 37.71 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.562 0.696 . . . . 0.0 110.907 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 162.63 41.33 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.694 2.263 . . . . 0.0 112.345 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.514 ' N ' ' CD1' ' A' ' 100' ' ' ILE . 1.9 mp -101.85 134.6 41.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.116 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 19.8 tp -100.97 141.49 33.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.911 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 5.5 p -100.1 76.62 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.099 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 10.2 tptm -133.8 139.11 46.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.936 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 10.1 tm-20 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.885 179.965 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.426 ' HG1' ' ND2' ' A' ' 86' ' ' ASN . 0.8 OUTLIER -133.49 164.0 28.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.786 0.326 . . . . 0.0 111.135 -179.85 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -92.5 143.75 27.72 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.623 0.725 . . . . 0.0 110.883 -179.863 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 168.68 20.83 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.669 2.246 . . . . 0.0 112.331 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 122.69 9.36 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.645 2.23 . . . . 0.0 112.336 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 64.0 p -110.69 -175.42 2.71 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.154 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 33.5 mt 50.72 40.47 24.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.458 ' CD1' ' C ' ' A' ' 14' ' ' LEU . 3.0 tm? -86.92 109.81 19.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.913 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.46 ' CG2' ' N ' ' A' ' 16' ' ' VAL . 4.5 m -142.87 155.84 44.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.17 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.46 ' N ' ' CG2' ' A' ' 15' ' ' THR . 5.3 t -77.13 94.73 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.131 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -51.67 -62.15 1.8 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 4.7 m -141.04 164.63 29.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 46.6 t -144.32 133.43 18.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.141 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.456 ' O ' ' N ' ' A' ' 22' ' ' THR . 1.3 m -128.28 131.14 48.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.114 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -38.67 -28.0 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.866 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.456 ' N ' ' O ' ' A' ' 20' ' ' THR . 1.2 p -88.02 -57.33 2.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.143 -179.89 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 22.3 p -133.47 158.09 43.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.161 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 31.8 m -111.59 147.97 15.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.124 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.426 ' CG2' ' HE2' ' A' ' 66' ' ' LYS . 13.7 m -113.67 142.26 46.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.137 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 96.4 mmm -133.68 146.15 50.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.936 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 7.7 ptt180 -129.43 152.53 48.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.847 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 16.8 p90 -160.04 171.09 19.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.948 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 22.9 mtt180 -132.72 154.21 81.37 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.596 0.712 . . . . 0.0 110.847 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.84 169.95 17.82 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.669 2.246 . . . . 0.0 112.326 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 153.95 68.42 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.729 2.286 . . . . 0.0 112.346 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.493 ' O ' ' CG ' ' A' ' 33' ' ' HIS . 19.3 t0 -40.33 -41.72 1.41 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.825 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.493 ' CG ' ' O ' ' A' ' 32' ' ' ASP . 55.4 m-70 -166.49 171.46 11.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.879 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 3.1 mm . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.105 -180.0 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 6.4 tp -82.33 128.41 34.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.8 0.333 . . . . 0.0 110.889 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.425 ' O ' ' C ' ' A' ' 41' ' ' GLY . 15.3 m-20 -104.93 95.36 5.81 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.87 179.822 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.444 ' C ' ' CG ' ' A' ' 42' ' ' TYR . . . 35.35 -140.83 0.16 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.494 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.444 ' CG ' ' C ' ' A' ' 41' ' ' GLY . 1.1 m-85 -157.09 168.49 27.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.89 0.376 . . . . 0.0 110.949 -179.824 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 91.1 t -127.51 130.27 70.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.113 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 5.3 tt -124.14 141.69 51.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.872 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 78.6 mt-10 -145.76 155.13 42.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 13.5 p90 -130.54 129.25 42.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.901 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.481 ' HB2' ' CD2' ' A' ' 54' ' ' TRP . 41.6 t -101.94 100.47 10.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.911 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 5.9 t80 -55.76 164.7 1.05 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -75.68 -31.62 59.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.926 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -99.41 42.55 1.98 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.47 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 2.2 p -142.45 165.96 25.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.754 0.311 . . . . 0.0 111.125 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -108.08 -38.49 5.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.904 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -112.31 151.15 30.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.894 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . 0.481 ' CD2' ' HB2' ' A' ' 47' ' ' CYS . 71.8 m95 -59.64 151.46 24.74 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 28.5 mt -106.35 98.21 6.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.143 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 76.8 t -40.42 122.35 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.126 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.468 ' HB1' ' CZ ' ' A' ' 67' ' ' PHE . . . -92.14 -50.12 5.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.151 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 16.3 p-10 -87.75 162.64 16.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 25.6 tptp -84.75 -56.25 3.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.901 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -123.21 -65.09 1.11 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.84 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 85.4 mt -153.33 154.93 35.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.94 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 18.2 mt -102.86 124.84 57.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.092 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 34.2 m-20 -87.05 -46.81 9.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.866 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 26.8 mtpp -66.38 160.57 24.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.9 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -87.31 2.22 50.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.151 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.426 ' HE2' ' CG2' ' A' ' 25' ' ' THR . 12.6 mtpt -129.12 152.24 48.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.907 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.468 ' CZ ' ' HB1' ' A' ' 57' ' ' ALA . 32.5 t80 -143.47 149.67 37.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.909 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 97.1 m -133.14 118.43 18.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.149 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 58.0 mt -74.5 132.32 33.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.123 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 35.7 p -105.55 134.91 47.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.126 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 86.03 75.61 1.25 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.474 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 18.1 mt -137.05 127.53 16.06 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.576 0.703 . . . . 0.0 110.944 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 131.1 20.49 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.693 2.262 . . . . 0.0 112.37 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 50.2 m -52.94 144.18 15.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.141 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 61.58 45.13 8.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.842 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -123.56 142.16 51.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.099 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 79.1 mttt -104.36 136.16 44.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.921 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 33.0 pt -143.05 156.67 17.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.148 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 86.8 m-85 -103.68 122.01 44.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.901 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 83.1 t -108.04 138.35 35.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.095 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.431 ' HG2' ' CZ3' ' A' ' 54' ' ' TRP . 25.1 ptt180 -151.42 138.04 18.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.836 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 4.8 m -116.42 147.32 19.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.084 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 4.3 mtmm -132.84 140.91 48.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.884 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -88.3 110.57 20.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.105 179.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 77.3 t -99.66 129.88 49.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.12 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . 0.461 ' N ' ' ND2' ' A' ' 86' ' ' ASN . 0.3 OUTLIER -132.21 174.47 10.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.834 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.56 -41.33 80.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.117 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.15 -52.72 62.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.121 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -175.99 -126.91 0.99 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.494 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -145.42 153.77 41.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.787 0.327 . . . . 0.0 111.099 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 7.5 t -101.03 169.16 9.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.859 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -59.1 144.03 83.42 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.688 0.756 . . . . 0.0 110.88 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 146.57 60.41 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.669 2.246 . . . . 0.0 112.349 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 34.0 tptt -95.95 104.13 16.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.887 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 50.3 m-85 -88.02 122.45 31.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.917 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -71.88 132.57 44.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.878 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 3.3 t -46.14 -70.49 0.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.864 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -103.03 147.49 34.2 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.613 0.721 . . . . 0.0 110.872 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 148.84 65.73 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.677 2.251 . . . . 0.0 112.344 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 5.0 mp -86.11 142.38 13.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.129 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.48 ' O ' ' N ' ' A' ' 103' ' ' LYS . 45.2 tp -114.25 102.55 10.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.906 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 1.8 p -55.68 82.84 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.132 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . 0.48 ' N ' ' O ' ' A' ' 101' ' ' LEU . 12.8 tptp -142.29 135.01 28.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.9 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.931 179.936 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.451 ' CG2' ' N ' ' A' ' 9' ' ' SER . 56.9 m -94.23 164.97 12.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.782 0.325 . . . . 0.0 111.143 -179.87 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.451 ' N ' ' CG2' ' A' ' 8' ' ' THR . 1.9 m -88.32 150.01 46.0 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.621 0.724 . . . . 0.0 110.866 -179.85 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 169.48 18.85 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.655 2.236 . . . . 0.0 112.315 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.72 148.32 65.06 Favored 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.66 2.24 . . . . 0.0 112.374 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 53.7 p -134.32 177.36 7.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.118 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.9 mt 55.51 53.3 9.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.967 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.457 HD11 ' CE ' ' A' ' 26' ' ' MET . 2.0 tm? -83.59 118.78 24.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.948 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.4 ' CG2' ' N ' ' A' ' 16' ' ' VAL . 41.0 m -142.82 154.98 44.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.156 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.4 ' N ' ' CG2' ' A' ' 15' ' ' THR . 3.6 t -89.0 112.79 24.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.116 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -70.16 -49.67 48.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.842 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.2 t -159.15 153.52 24.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.862 -179.719 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 19.2 t -142.5 130.08 19.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.12 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -108.14 -178.2 3.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.116 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -87.97 -5.22 58.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -125.13 -21.21 4.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.147 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 36.0 p -145.39 166.1 26.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.1 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 15.9 m -134.09 135.62 54.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.114 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.7 m -104.6 130.91 52.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.152 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.457 ' CE ' HD11 ' A' ' 14' ' ' LEU . 97.9 mmm -129.78 125.23 35.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.9 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.418 ' C ' ' HD3' ' A' ' 27' ' ' ARG . 0.1 OUTLIER -117.19 146.82 42.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.85 -179.92 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 41.5 p90 -140.42 177.7 7.82 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.907 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 5.1 mmm180 -120.3 150.38 51.54 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.602 0.715 . . . . 0.0 110.885 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 162.62 41.37 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.716 2.278 . . . . 0.0 112.333 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 142.23 47.59 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.719 2.279 . . . . 0.0 112.339 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -42.31 -49.41 5.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.846 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 56.7 t-80 -136.35 147.73 47.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.828 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 20.6 mm . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.11 179.993 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 7.4 tp -79.89 132.91 36.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.859 0.361 . . . . 0.0 110.926 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -115.87 97.91 6.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.434 ' C ' ' CG ' ' A' ' 42' ' ' TYR . . . 41.15 -145.87 0.49 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.507 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.434 ' CG ' ' C ' ' A' ' 41' ' ' GLY . 0.2 OUTLIER -155.61 173.48 16.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.92 0.391 . . . . 0.0 110.957 -179.827 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 59.5 t -127.62 131.44 70.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.127 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.2 tp -111.47 135.52 51.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.862 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 55.0 mt-10 -144.72 132.4 21.1 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.865 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.41 ' CE1' HG23 ' A' ' 55' ' ' ILE . 20.2 p90 -124.44 131.48 53.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.923 -179.852 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 1.2 t -96.45 122.56 39.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.884 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -86.42 137.29 32.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.466 ' CD ' ' N ' ' A' ' 50' ' ' GLY . 2.8 pp20? -54.77 -40.0 68.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.868 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.466 ' N ' ' CD ' ' A' ' 49' ' ' GLU . . . -69.21 -18.76 73.44 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.532 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 78.8 p -107.39 179.38 4.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.733 0.302 . . . . 0.0 111.115 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -120.77 -35.91 3.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.899 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -89.84 150.35 22.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.886 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 63.0 m95 -71.69 138.33 48.48 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.443 HG21 ' N ' ' A' ' 56' ' ' VAL . 5.4 mp -101.95 142.01 17.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.126 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.443 ' N ' HG21 ' A' ' 55' ' ' ILE . 1.6 p -93.36 150.15 4.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.153 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -107.89 -40.04 5.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.114 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 16.9 p-10 -89.71 150.39 22.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.883 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.464 ' HG2' ' N ' ' A' ' 60' ' ' ASP . 0.0 OUTLIER -82.87 -32.98 27.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.916 179.899 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.464 ' N ' ' HG2' ' A' ' 59' ' ' LYS . 2.0 t70 -133.48 -70.99 0.52 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.822 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 37.3 mt -155.27 162.16 40.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.917 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 20.9 mt -105.6 113.07 41.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.09 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -89.87 37.35 0.88 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.853 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.27 139.8 16.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.871 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 5.0 p -67.05 -3.53 7.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.129 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.7 mmmm -121.44 166.59 13.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.536 ' CD1' ' N ' ' A' ' 68' ' ' THR . 24.8 t80 -166.62 156.47 11.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.536 ' N ' ' CD1' ' A' ' 67' ' ' PHE . 31.4 m -144.08 128.32 17.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.151 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 17.9 mt -91.92 140.21 16.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.087 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 73.1 p -119.64 137.21 54.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.176 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 94.11 61.31 1.09 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.482 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 36.6 mt -131.43 132.89 23.83 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.627 0.727 . . . . 0.0 110.89 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 146.04 58.81 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.642 2.228 . . . . 0.0 112.371 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 22.1 m -73.36 153.25 40.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.12 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 7.9 t70 57.84 37.7 27.03 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -115.99 149.57 38.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.075 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 31.5 mttt -107.99 135.39 49.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.887 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 32.9 pt -146.76 154.16 12.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.141 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -102.12 131.55 48.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.905 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.404 HG13 ' CE ' ' A' ' 26' ' ' MET . 79.2 t -106.82 144.61 15.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.124 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 20.9 ptt180 -159.44 133.61 7.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.875 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 1.7 m -125.28 144.82 33.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.145 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -133.72 174.51 10.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -117.12 131.25 56.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.112 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 76.0 t -117.99 129.56 74.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.141 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -145.49 179.03 7.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.873 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -49.38 -51.38 35.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.136 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -47.51 -52.29 17.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.067 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 170.15 -130.04 1.94 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.458 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -134.57 143.82 47.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.787 0.327 . . . . 0.0 111.092 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.7 t -101.32 152.78 20.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.845 -179.79 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -57.42 142.08 77.07 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.625 0.726 . . . . 0.0 110.889 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.491 ' HG2' ' CE1' ' A' ' 95' ' ' TYR . 53.9 Cg_endo -69.74 148.7 65.76 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.717 2.278 . . . . 0.0 112.342 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 2.9 tppt? -92.0 113.22 25.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.93 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . 0.491 ' CE1' ' HG2' ' A' ' 93' ' ' PRO . 58.4 m-85 -91.28 120.36 32.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.891 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 27.9 t80 -68.01 166.59 15.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.911 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 67.9 p -62.9 -74.28 0.1 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.9 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -105.29 159.31 29.87 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.572 0.701 . . . . 0.0 110.946 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 147.72 63.59 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.734 2.289 . . . . 0.0 112.363 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 5.2 mp -88.59 129.46 39.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.11 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.45 ' CD1' ' C ' ' A' ' 101' ' ' LEU . 0.1 OUTLIER -99.46 110.43 22.91 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.88 179.913 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.431 ' N ' HD11 ' A' ' 101' ' ' LEU . 7.3 p -59.45 82.38 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.166 179.806 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . 0.424 ' N ' ' O ' ' A' ' 101' ' ' LEU . 14.0 tptp -143.42 146.57 33.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.947 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.891 179.957 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 46.1 m -100.46 159.92 14.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.789 0.328 . . . . 0.0 111.125 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 17.7 m -78.83 148.86 73.2 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.684 0.754 . . . . 0.0 110.849 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 168.79 20.55 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.647 2.232 . . . . 0.0 112.347 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 122.41 9.08 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.668 2.245 . . . . 0.0 112.319 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 79.5 p -106.53 -177.56 3.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.164 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.414 HD12 ' NH1' ' A' ' 29' ' ' ARG . 33.3 mt 49.39 49.63 19.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.919 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -86.97 112.99 22.35 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.934 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 21.3 m -153.97 143.2 21.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.151 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.407 HG22 ' CE ' ' A' ' 26' ' ' MET . 2.8 t -64.48 146.76 12.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.103 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -106.52 -56.98 2.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.854 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 33.0 p -138.13 148.36 44.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.841 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 77.4 t -131.86 125.2 54.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.094 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.456 ' O ' ' N ' ' A' ' 22' ' ' THR . 0.8 OUTLIER -132.19 128.0 37.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.137 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.427 ' C ' ' O ' ' A' ' 20' ' ' THR . 2.7 p-10 -35.46 -33.19 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.858 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.456 ' N ' ' O ' ' A' ' 20' ' ' THR . 29.3 p -71.11 -54.1 12.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.141 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 20.6 p -152.27 162.48 41.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.139 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 34.5 m -104.35 164.85 3.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.149 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 68.6 m -134.78 122.42 22.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.12 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.407 ' CE ' HG22 ' A' ' 16' ' ' VAL . 79.7 mmm -112.66 130.25 56.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.856 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 4.8 ptm180 -115.09 149.48 37.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.862 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 26.1 p90 -163.37 174.32 12.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.924 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.414 ' NH1' HD12 ' A' ' 13' ' ' LEU . 31.2 mtt85 -129.25 156.68 77.97 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.587 0.708 . . . . 0.0 110.884 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 168.71 20.71 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.66 2.24 . . . . 0.0 112.358 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 136.98 34.42 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.752 2.301 . . . . 0.0 112.322 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -39.46 -42.77 1.15 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.872 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 28.6 m170 -133.58 162.64 31.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.871 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 3.2 mm . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.15 179.969 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 8.0 tp -133.61 135.56 44.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.784 0.326 . . . . 0.0 110.87 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.423 ' O ' ' C ' ' A' ' 41' ' ' GLY . 36.1 m-20 -121.39 96.67 5.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.84 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.423 ' C ' ' O ' ' A' ' 40' ' ' ASP . . . 36.54 -151.72 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.432 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -148.65 177.59 9.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.89 0.376 . . . . 0.0 110.967 -179.804 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 23.3 t -133.92 142.09 42.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.169 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.7 tt -138.9 135.83 34.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.946 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -138.01 158.07 45.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.856 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 8.0 p90 -137.38 133.5 34.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.926 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.427 ' HB2' ' CD2' ' A' ' 54' ' ' TRP . 1.2 t -103.2 127.98 50.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.874 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -87.27 141.78 28.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.915 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -62.02 -27.28 68.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.864 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -75.62 -18.17 79.85 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.449 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 66.4 p -122.34 144.12 49.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.75 0.309 . . . . 0.0 111.157 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -91.55 27.87 1.88 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -138.85 152.4 47.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.839 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . 0.427 ' CD2' ' HB2' ' A' ' 47' ' ' CYS . 79.9 m95 -83.23 122.13 28.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.942 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 27.8 mt -90.2 101.8 12.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.118 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 91.7 t -56.3 124.71 10.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.124 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -84.17 -54.27 4.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.128 179.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.408 ' OD1' ' N ' ' A' ' 59' ' ' LYS . 1.0 OUTLIER -74.85 149.04 39.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.883 -179.942 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.408 ' N ' ' OD1' ' A' ' 58' ' ' ASN . 24.2 mtpt -87.46 -65.57 1.0 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.929 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -102.55 -68.24 0.84 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.847 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 95.6 mt -155.35 159.58 40.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.91 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 45.7 mt -103.64 126.8 58.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.137 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 43.3 t0 -108.06 38.01 2.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.87 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 10.3 pttm -149.9 146.09 26.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.913 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 16.7 p -76.89 3.11 12.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.108 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 63.8 mttt -141.85 138.38 32.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.936 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.497 ' CD1' ' N ' ' A' ' 68' ' ' THR . 22.4 t80 -129.04 151.69 49.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.902 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.497 ' N ' ' CD1' ' A' ' 67' ' ' PHE . 64.7 m -134.15 117.53 16.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.158 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 15.6 mt -79.22 107.81 12.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.095 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 62.6 p -83.78 129.63 34.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.137 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 96.28 70.76 1.06 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.487 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 17.5 mt -133.85 126.06 18.61 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.633 0.73 . . . . 0.0 110.911 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 133.1 24.64 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.706 2.271 . . . . 0.0 112.322 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.436 HG23 ' N ' ' A' ' 75' ' ' ASP . 88.2 m -58.7 143.01 48.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.135 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.436 ' N ' HG23 ' A' ' 74' ' ' THR . 6.0 m-20 70.34 29.9 3.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.853 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -113.79 141.27 47.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.09 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 26.6 mttm -108.12 136.46 47.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.923 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.405 HD12 ' C ' ' A' ' 78' ' ' ILE . 2.7 pp -141.87 159.12 20.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.117 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 54.3 m-85 -104.16 132.34 50.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.917 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 74.9 t -112.01 132.22 61.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.125 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 34.6 ptt180 -146.45 128.13 15.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.847 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 34.0 m -125.97 152.63 33.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.161 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.8 167.94 22.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -93.38 120.36 33.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.073 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 45.6 t -107.7 120.95 59.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.121 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . 0.523 ' N ' ' ND2' ' A' ' 86' ' ' ASN . 0.0 OUTLIER -139.75 177.43 7.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.889 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -54.55 -46.06 73.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.084 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -47.84 -34.41 8.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.132 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 151.47 -109.36 0.42 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.498 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -155.29 151.66 28.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.78 0.324 . . . . 0.0 111.136 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 19.6 m -101.89 158.02 16.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.874 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -50.48 143.06 14.38 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.686 0.755 . . . . 0.0 110.868 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 149.4 66.73 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.696 2.264 . . . . 0.0 112.363 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 20.1 tptp -101.52 120.18 39.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.925 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 -102.55 121.8 43.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.962 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 7.1 t80 -72.77 142.58 48.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.911 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 4.9 m -48.57 -73.24 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.863 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 11.3 mm100 -108.56 151.28 41.56 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.553 0.692 . . . . 0.0 110.946 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 149.22 66.56 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.677 2.251 . . . . 0.0 112.341 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 3.7 mp -89.62 125.98 42.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.146 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.474 ' O ' ' N ' ' A' ' 103' ' ' LYS . 37.4 tp -97.85 101.89 13.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.912 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 2.7 p -54.67 84.05 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.089 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . 0.474 ' N ' ' O ' ' A' ' 101' ' ' LEU . 20.5 tptp -143.08 132.82 23.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.909 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.41 ' CD ' HG22 ' A' ' 20' ' ' THR . 3.1 tp10 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.914 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -92.01 150.57 20.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.854 0.359 . . . . 0.0 111.098 -179.863 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.5 t -78.69 149.3 74.33 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.701 0.762 . . . . 0.0 110.884 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.76 169.24 19.37 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.718 2.279 . . . . 0.0 112.354 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 129.65 18.0 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.68 2.253 . . . . 0.0 112.342 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 44.9 p -112.98 -177.98 3.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.139 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 80.6 mt 55.56 48.97 17.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.914 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.449 ' CD1' ' CD1' ' A' ' 96' ' ' TYR . 1.9 tm? -81.79 109.47 16.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.955 179.829 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 45.4 p -133.77 158.12 44.15 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.139 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.404 ' O ' ' C ' ' A' ' 17' ' ' ASP . 21.4 t -94.78 84.4 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.115 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 16' ' ' VAL . 25.4 t70 -36.07 -60.22 0.56 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.861 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.421 ' O ' ' CG2' ' A' ' 19' ' ' VAL . 20.9 t -157.81 177.7 11.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.823 -179.757 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.421 ' CG2' ' O ' ' A' ' 18' ' ' SER . 39.8 t -160.15 147.98 6.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.126 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -133.51 158.11 43.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.128 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -59.75 -15.18 18.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.853 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 29.7 p -98.84 -53.32 3.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.113 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 16.6 p -139.64 163.08 33.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.114 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 31.0 m -111.5 163.82 7.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.123 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 28.8 m -132.14 127.94 37.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.15 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 99.0 mmm -115.91 160.27 20.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.901 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.431 ' HD3' ' N ' ' A' ' 28' ' ' TRP . 0.0 OUTLIER -148.94 151.54 34.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.859 -179.935 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.431 ' N ' ' HD3' ' A' ' 27' ' ' ARG . 26.5 p90 -163.62 172.63 14.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.889 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 16.2 mtt180 -123.43 154.49 65.99 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.601 0.715 . . . . 0.0 110.908 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 168.57 21.2 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.705 2.27 . . . . 0.0 112.308 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 153.9 68.33 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.722 2.282 . . . . 0.0 112.308 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -39.52 -50.01 2.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.854 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 9.6 t-80 -162.71 157.48 21.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.866 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.555 ' N ' ' CD1' ' A' ' 34' ' ' ILE . 1.2 mp . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.135 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.456 -0.258 . . . . 0.0 112.456 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 7.3 tp -132.98 124.8 28.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.807 0.337 . . . . 0.0 110.912 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.412 ' O ' ' C ' ' A' ' 41' ' ' GLY . 19.9 m-20 -110.49 95.13 5.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 179.823 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.465 ' C ' ' CG ' ' A' ' 42' ' ' TYR . . . 36.84 -134.91 0.75 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.499 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.465 ' CG ' ' C ' ' A' ' 41' ' ' GLY . 1.4 m-85 -157.99 169.41 24.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.9 0.381 . . . . 0.0 110.92 -179.816 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 95.0 t -133.79 127.54 52.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.112 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 8.4 tt -122.08 130.56 53.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.906 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 76.4 mt-10 -134.46 153.71 51.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.91 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 26.4 p90 -134.18 137.32 44.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.928 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.492 ' HB2' ' CD2' ' A' ' 54' ' ' TRP . 26.1 t -107.82 133.79 51.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.867 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -90.66 147.83 23.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.868 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -59.78 133.59 56.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.931 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 94.38 -48.03 2.14 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.522 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 68.0 p -74.44 118.36 17.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.745 0.307 . . . . 0.0 111.111 -179.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -83.33 37.82 0.58 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -144.49 138.37 27.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.851 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . 0.492 ' CD2' ' HB2' ' A' ' 47' ' ' CYS . 85.9 m95 -82.84 135.77 34.84 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.946 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 5.2 mp -98.43 122.4 50.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.133 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 36.8 t -70.86 130.53 34.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.178 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -93.42 -49.42 5.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.082 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 11.3 p-10 -83.06 165.89 19.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 5.5 ptpt -91.17 -49.37 6.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.927 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 16.3 t0 -125.47 -74.92 0.6 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.838 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 43.5 mt -137.9 173.43 11.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.946 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 24.6 mt -116.47 125.19 73.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.149 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 12.7 t0 -84.07 -57.95 2.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 42.1 mttp -68.96 164.99 20.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.885 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -85.52 -4.36 59.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.131 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 17.6 mtmt -119.05 163.4 17.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.864 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.494 ' CD1' ' N ' ' A' ' 68' ' ' THR . 21.1 t80 -153.89 154.45 33.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.888 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.494 ' N ' ' CD1' ' A' ' 67' ' ' PHE . 7.3 m -130.2 123.03 29.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.116 -179.865 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 52.4 mt -87.22 103.65 13.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.15 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 48.8 p -86.41 137.08 32.84 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.118 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 91.87 65.19 1.14 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.507 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 19.9 mt -132.68 132.6 22.72 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.566 0.698 . . . . 0.0 110.913 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 130.74 19.84 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.673 2.248 . . . . 0.0 112.339 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 81.5 m -59.51 137.51 57.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.104 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 14.9 t70 69.59 49.81 0.54 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.863 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.438 ' N ' HD13 ' A' ' 101' ' ' LEU . . . -130.95 139.57 50.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.07 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 43.5 mttp -96.45 126.09 41.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.876 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 14.2 pt -139.24 146.59 25.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.151 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 64.6 m-85 -99.74 138.79 36.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 40.3 t -117.19 145.54 22.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.12 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.439 ' HG2' ' CZ3' ' A' ' 54' ' ' TRP . 4.1 ptp180 -146.84 133.46 19.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.907 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 21.1 m -126.97 128.15 70.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.111 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 28.9 pttt -131.99 163.86 27.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.939 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -100.67 135.77 41.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.107 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 87.5 t -119.69 135.11 61.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.147 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . 0.487 ' N ' ' ND2' ' A' ' 86' ' ' ASN . 0.0 OUTLIER -144.4 167.59 22.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.856 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -39.02 -44.01 1.05 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.125 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -56.44 -52.8 63.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.063 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 172.39 -130.92 2.01 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.449 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -128.22 161.26 29.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.818 0.342 . . . . 0.0 111.098 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 2.8 m -104.12 167.38 9.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.859 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -62.45 142.4 96.35 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.643 0.735 . . . . 0.0 110.89 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 147.38 62.53 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.674 2.249 . . . . 0.0 112.341 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 2.2 tppt? -107.47 99.79 9.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 28.1 m-85 -84.61 116.02 22.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.927 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . 0.449 ' CD1' ' CD1' ' A' ' 14' ' ' LEU . 4.6 t80 -55.93 177.86 0.05 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 68.9 m -78.53 -71.53 0.43 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.848 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 47.6 mt-30 -102.72 154.14 37.71 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.61 0.719 . . . . 0.0 110.922 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 112.22 3.02 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.684 2.256 . . . . 0.0 112.334 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 15.8 mt -54.05 111.19 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.145 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.465 ' O ' ' N ' ' A' ' 103' ' ' LYS . 31.9 tp -92.79 91.18 7.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 2.5 p -39.19 93.48 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.151 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . 0.465 ' N ' ' O ' ' A' ' 101' ' ' LEU . 25.2 tptt -144.6 145.03 31.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.89 179.973 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 N-CA-C 112.449 -0.261 . . . . 0.0 112.449 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.1 p -90.99 173.07 8.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.832 0.349 . . . . 0.0 111.13 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 22.1 m -97.82 149.85 36.15 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.677 0.751 . . . . 0.0 110.874 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 169.75 18.2 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.631 2.221 . . . . 0.0 112.316 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 121.07 7.77 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.676 2.25 . . . . 0.0 112.321 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 42.2 p -101.79 176.77 5.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.173 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.447 HD12 ' NE ' ' A' ' 29' ' ' ARG . 13.4 mt 56.28 45.63 22.66 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.918 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.48 ' CD1' ' C ' ' A' ' 14' ' ' LEU . 2.0 tm? -85.59 109.13 18.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.937 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 5.1 t -135.0 157.63 46.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.16 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 44.8 t -77.27 89.28 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.124 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -45.4 -58.91 2.99 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 17.0 m -154.23 171.52 19.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.827 -179.709 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 58.2 t -151.99 136.78 10.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.115 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.425 ' O ' ' N ' ' A' ' 22' ' ' THR . 24.9 m -133.96 137.44 44.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.203 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -38.3 -30.86 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.868 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.425 ' N ' ' O ' ' A' ' 20' ' ' THR . 38.2 p -83.55 -63.24 1.39 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.178 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 54.3 p -130.81 165.92 21.96 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.109 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 34.2 m -118.93 154.67 21.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.121 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.438 HG21 ' N ' ' A' ' 26' ' ' MET . 28.0 m -118.48 142.97 47.06 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.125 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.438 ' N ' HG21 ' A' ' 25' ' ' THR . 84.3 mmm -140.06 120.97 14.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.936 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 10.8 ptt180 -102.82 152.1 21.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.863 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 34.3 p90 -153.59 165.63 35.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.447 ' NE ' HD12 ' A' ' 13' ' ' LEU . 1.7 ttp180 -121.37 139.07 29.02 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.636 0.731 . . . . 0.0 110.848 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 166.19 28.4 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.704 2.269 . . . . 0.0 112.338 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.437 ' HG2' ' CD1' ' A' ' 34' ' ' ILE . 53.9 Cg_endo -69.75 138.99 39.18 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.697 2.265 . . . . 0.0 112.349 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -62.08 -46.92 86.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.864 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 28.6 t-80 -93.12 141.89 27.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.862 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.437 ' CD1' ' HG2' ' A' ' 31' ' ' PRO . 22.4 mm . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.137 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.424 ' HA2' ' CG2' ' A' ' 34' ' ' ILE . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 21.9 tp -130.17 136.58 49.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.79 0.329 . . . . 0.0 110.924 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -122.09 94.78 4.41 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.863 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 43.46 -161.66 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.512 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -139.38 -178.09 5.22 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.914 0.388 . . . . 0.0 110.934 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 95.9 t -140.21 135.67 36.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.111 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.413 HD21 ' CD1' ' A' ' 67' ' ' PHE . 4.6 tp -112.69 136.7 51.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.907 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -144.28 133.38 22.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.559 ' CE1' HG21 ' A' ' 55' ' ' ILE . 25.2 p90 -126.86 145.77 50.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.866 -179.864 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.516 ' HB2' ' CD2' ' A' ' 54' ' ' TRP . 19.3 t -114.06 99.96 8.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.896 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -53.94 157.12 2.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.918 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -70.15 -42.09 72.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.856 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -89.51 40.24 3.06 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.517 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 29.6 p -140.9 -177.52 5.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.749 0.309 . . . . 0.0 111.136 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.3 pp20? -131.59 -35.56 1.29 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.916 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -96.71 145.31 25.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.897 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . 0.516 ' CD2' ' HB2' ' A' ' 47' ' ' CYS . 55.9 m95 -70.92 123.28 21.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.559 HG21 ' CE1' ' A' ' 46' ' ' TYR . 18.0 mt -87.64 138.27 19.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.104 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 7.4 p -91.57 122.64 43.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.13 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -73.95 -34.22 64.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.087 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.497 ' HB2' ' CE2' ' A' ' 67' ' ' PHE . 1.1 t30 -152.15 108.76 3.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.925 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -58.74 -58.26 9.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.853 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.497 ' O ' ' ND2' ' A' ' 58' ' ' ASN . 4.1 m-20 -53.05 -174.98 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.886 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 20.3 mt -97.35 134.37 40.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.927 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 6.6 mt -87.83 106.87 16.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.127 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -56.46 -65.22 0.65 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 20.6 mtmm -58.29 169.67 0.82 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.957 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 21.2 p -99.01 34.07 2.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.102 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 16.4 ttpp -158.05 135.85 10.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.842 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.497 ' CE2' ' HB2' ' A' ' 58' ' ' ASN . 35.6 t80 -131.84 156.05 46.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.848 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.423 ' N ' ' CD1' ' A' ' 67' ' ' PHE . 89.3 m -131.03 102.45 6.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.121 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 39.6 mt -48.89 139.35 3.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.119 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 58.5 p -112.36 128.73 56.37 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.185 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 85.47 79.81 1.14 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.511 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 20.4 mt -136.97 130.37 17.52 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.591 0.71 . . . . 0.0 110.933 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 129.14 17.05 Favored 'Trans proline' 0 N--CA 1.465 -0.195 0 C-N-CA 122.699 2.266 . . . . 0.0 112.339 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 18.4 m -59.4 143.48 49.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.1 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 14.3 t70 66.53 47.85 1.59 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -133.9 146.11 50.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.091 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 45.7 mttm -104.67 145.04 30.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.915 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.457 ' CD1' HG22 ' A' ' 80' ' ' VAL . 2.7 pp -153.15 156.24 5.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.148 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 37.9 m-85 -100.76 128.51 46.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.457 HG22 ' CD1' ' A' ' 78' ' ' ILE . 92.5 t -108.45 141.07 24.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.122 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.437 ' N ' HG13 ' A' ' 80' ' ' VAL . 46.1 ptt85 -159.56 131.96 6.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.895 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 14.4 m -118.97 148.04 22.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.111 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 43.1 pttt -139.88 139.53 36.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.863 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -70.33 137.93 51.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.095 179.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 86.4 t -125.39 129.02 73.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.148 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -143.82 173.01 12.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.904 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -42.47 -56.24 3.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.126 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -48.24 -54.15 14.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.098 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 176.59 -113.96 0.46 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.486 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -151.46 166.8 29.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.766 0.317 . . . . 0.0 111.091 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 69.6 m -105.33 166.97 10.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.848 -179.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -57.87 144.18 75.21 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.617 0.722 . . . . 0.0 110.903 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 142.66 48.4 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.665 2.243 . . . . 0.0 112.346 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.57 108.21 20.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.89 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 57.9 m-85 -92.79 123.28 35.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.894 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -65.26 179.37 0.75 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.898 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.2 t -79.25 -68.12 0.69 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.874 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 18.1 mm-40 -105.68 155.05 38.78 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.641 0.734 . . . . 0.0 110.888 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 125.2 11.87 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.646 2.231 . . . . 0.0 112.358 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 4.8 mp -68.04 138.23 23.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.105 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.454 ' O ' ' N ' ' A' ' 103' ' ' LYS . 8.8 tp -118.69 110.69 17.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 5.1 p -58.57 81.19 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.122 179.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . 0.454 ' N ' ' O ' ' A' ' 101' ' ' LEU . 19.4 tptp -136.97 145.66 44.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.906 179.962 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.443 -0.263 . . . . 0.0 112.443 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.469 HG22 ' CG2' ' A' ' 34' ' ' ILE . 3.3 p -83.66 165.03 19.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.838 0.352 . . . . 0.0 111.112 -179.833 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 67.1 m -88.78 150.03 44.97 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.632 0.73 . . . . 0.0 110.887 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 166.2 28.4 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.719 2.279 . . . . 0.0 112.337 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 117.61 5.19 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.711 2.274 . . . . 0.0 112.309 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 47.0 p -100.02 -178.59 3.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.12 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 19.9 mt 54.76 46.54 24.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.925 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.4 ' CD2' HG23 ' A' ' 82' ' ' VAL . 2.5 tm? -82.44 114.58 20.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.95 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 6.6 t -144.61 156.91 44.36 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.108 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 8.7 t -85.61 102.4 11.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.105 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -54.33 -62.34 1.72 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.876 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.5 t -146.48 172.06 14.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.896 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 71.8 t -150.86 128.0 2.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.15 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.466 ' O ' ' N ' ' A' ' 22' ' ' THR . 7.5 m -124.79 133.63 53.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.129 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -39.85 -25.82 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.897 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.466 ' N ' ' O ' ' A' ' 20' ' ' THR . 16.6 p -87.36 -55.29 3.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.168 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.401 HG21 ' C ' ' A' ' 22' ' ' THR . 48.4 p -140.6 162.11 36.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.113 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 32.9 m -115.22 152.35 16.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.128 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 11.5 m -123.43 138.08 54.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.104 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 63.7 mmm -122.27 166.79 14.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.895 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 7.7 ptm180 -150.12 146.81 27.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.933 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 13.2 p90 -157.27 167.13 31.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.919 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 17.6 mtt180 -119.2 154.95 53.87 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.573 0.702 . . . . 0.0 110.867 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 166.05 28.93 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.649 2.232 . . . . 0.0 112.345 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.425 ' O ' ' C ' ' A' ' 32' ' ' ASP . 53.9 Cg_endo -69.71 145.35 57.13 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.734 2.29 . . . . 0.0 112.327 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.425 ' C ' ' O ' ' A' ' 31' ' ' PRO . 5.3 t0 -35.63 -48.15 0.51 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.831 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 13.3 t-80 -161.15 147.02 14.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.87 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.469 ' CG2' HG22 ' A' ' 8' ' ' THR . 4.1 mp . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.127 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 6.3 tp -115.26 138.94 50.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.828 0.347 . . . . 0.0 110.904 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.414 ' O ' ' C ' ' A' ' 41' ' ' GLY . 14.8 m-20 -119.63 99.74 6.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.855 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.414 ' C ' ' O ' ' A' ' 40' ' ' ASP . . . 36.59 -147.46 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.524 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -150.46 156.23 41.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.925 0.393 . . . . 0.0 110.904 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 95.0 t -110.32 127.24 67.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.135 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 5.0 tt -122.06 132.9 54.73 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.891 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 56.9 mt-10 -134.72 164.95 26.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.872 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 13.9 p90 -146.16 141.78 27.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.94 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.558 ' HB2' ' CE3' ' A' ' 54' ' ' TRP . 53.1 t -110.26 117.18 32.96 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.823 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -79.02 135.68 36.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.895 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -51.09 136.62 23.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.886 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 99.53 -46.82 1.38 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.496 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 61.4 p -82.09 120.79 25.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.759 0.314 . . . . 0.0 111.161 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -82.57 39.43 0.61 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -142.19 145.36 34.06 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . 0.561 ' CH2' ' HG3' ' A' ' 81' ' ' ARG . 74.1 m95 -90.1 112.35 23.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.898 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 22.8 mt -78.82 151.32 5.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.138 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 90.1 t -91.99 124.28 44.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.145 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -81.09 -39.85 25.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.091 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.9 p-10 -143.19 129.55 19.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.861 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.72 -50.37 10.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.923 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 75.1 m-20 -68.76 176.84 2.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.87 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 4.3 mt -85.58 136.54 33.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.922 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 21.1 mt -86.82 107.44 16.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.141 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 -65.13 -60.73 2.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.841 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 70.9 mmtt -57.51 171.31 0.45 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.925 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 16.8 p -101.16 21.04 14.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.15 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 18.4 mtmm -142.34 154.9 45.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.931 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 58.9 t80 -145.75 149.91 35.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.926 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 89.7 m -134.99 98.51 4.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.144 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 54.8 mt -50.38 126.07 4.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.146 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 20.4 p -100.4 132.63 45.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.133 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 83.96 79.38 1.07 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.476 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 13.7 mt -135.84 133.01 19.68 Favored Pre-proline 0 C--N 1.327 -0.375 0 CA-C-O 121.573 0.701 . . . . 0.0 110.959 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.433 ' O ' ' CG1' ' A' ' 102' ' ' VAL . 53.8 Cg_endo -69.79 141.63 45.63 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.679 2.253 . . . . 0.0 112.335 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 42.9 m -68.01 142.3 55.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.155 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 60.87 47.97 7.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -124.53 140.75 52.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.034 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 38.4 mttp -97.36 129.57 44.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.405 HD11 ' C ' ' A' ' 78' ' ' ILE . 2.7 pp -142.58 163.34 17.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.108 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.516 ' CE1' ' HB3' ' A' ' 99' ' ' PRO . 92.0 m-85 -113.44 149.78 33.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.943 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 71.4 t -123.49 128.44 74.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.119 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.601 ' NE ' ' CD2' ' A' ' 95' ' ' TYR . 40.6 mmt-85 -131.71 133.11 44.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.854 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.4 HG23 ' CD2' ' A' ' 14' ' ' LEU . 27.9 m -130.2 145.4 35.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.101 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 17.0 pttm -156.42 157.61 35.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.922 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -81.06 154.64 26.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.105 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 96.7 t -148.84 130.22 5.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.085 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -146.03 170.19 17.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.886 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -42.21 -48.15 4.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.097 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -55.49 -60.59 3.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.066 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -176.69 -151.1 8.68 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.499 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -125.64 163.29 23.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.807 0.337 . . . . 0.0 111.09 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.8 t -102.76 166.17 10.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.841 -179.736 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -54.13 142.23 48.02 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.6 0.714 . . . . 0.0 110.894 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 136.04 32.04 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.708 2.272 . . . . 0.0 112.317 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 20.4 tptp -87.12 123.33 32.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.9 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . 0.601 ' CD2' ' NE ' ' A' ' 81' ' ' ARG . 51.1 m-85 -106.81 112.34 25.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.904 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . 0.545 ' CD1' ' N ' ' A' ' 97' ' ' SER . 28.4 t80 -62.47 166.09 5.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.934 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' SER . . . . . 0.545 ' N ' ' CD1' ' A' ' 96' ' ' TYR . 41.0 m -70.8 -73.78 0.16 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.862 -179.838 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 15.0 pt20 -102.72 152.4 38.43 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.615 0.721 . . . . 0.0 110.886 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . 0.516 ' HB3' ' CE1' ' A' ' 79' ' ' PHE . 54.2 Cg_endo -69.71 138.32 37.69 Favored 'Trans proline' 0 C--O 1.232 0.219 0 C-N-CA 122.692 2.262 . . . . 0.0 112.356 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 3.5 mp -80.21 130.99 35.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.122 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.424 ' O ' ' N ' ' A' ' 103' ' ' LYS . 25.7 tp -113.82 104.67 12.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.919 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.433 ' CG1' ' O ' ' A' ' 73' ' ' PRO . 3.1 p -50.17 90.87 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.157 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . 0.424 ' N ' ' O ' ' A' ' 101' ' ' LEU . 0.4 OUTLIER -137.94 143.68 40.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 179.955 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 179.965 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -83.96 167.35 17.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.78 0.324 . . . . 0.0 111.167 -179.879 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.6 t -85.92 149.66 51.11 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.681 0.753 . . . . 0.0 110.858 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 169.4 18.99 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.662 2.241 . . . . 0.0 112.372 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 130.27 19.02 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.654 2.236 . . . . 0.0 112.376 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 71.1 p -118.24 176.93 5.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.107 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 11.7 mt 59.02 46.52 13.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.923 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -81.86 125.16 30.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.942 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.3 t -154.92 153.64 31.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.156 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 10.2 t -76.69 120.19 26.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.118 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -77.37 -65.27 0.98 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.6 m -136.52 152.45 50.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 42.0 t -140.83 126.67 19.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.129 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.7 m -133.91 141.29 47.29 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.141 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -45.45 -22.88 0.17 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.879 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 74.2 p -86.06 -56.66 3.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.147 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.8 p -143.89 169.89 16.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.163 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 27.2 m -124.38 160.31 29.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.128 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 76.9 m -136.13 132.44 36.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.142 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 87.3 mmm -119.26 150.23 40.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.915 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 15.5 ptt180 -127.8 158.8 36.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.88 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 14.4 p90 -162.08 169.92 20.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.919 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -121.69 150.86 56.25 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.576 0.703 . . . . 0.0 110.882 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 169.55 18.74 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.686 2.257 . . . . 0.0 112.296 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.66 147.17 62.91 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.682 2.255 . . . . 0.0 112.334 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -62.4 -50.64 70.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 1.9 t-160 -114.15 137.71 51.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.8 mt . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.171 179.962 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 21.4 tp -128.52 136.83 51.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.824 0.345 . . . . 0.0 110.925 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.424 ' O ' ' C ' ' A' ' 41' ' ' GLY . 65.8 m-20 -121.7 95.34 4.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.901 179.831 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.477 ' C ' ' CD1' ' A' ' 42' ' ' TYR . . . 36.26 -149.31 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.433 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.477 ' CD1' ' C ' ' A' ' 41' ' ' GLY . 2.5 m-85 -153.37 171.1 19.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.972 0.415 . . . . 0.0 110.903 -179.802 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 85.4 t -127.26 132.71 69.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.106 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.2 tt -128.61 139.05 52.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 64.3 mt-10 -147.54 147.77 30.47 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 30.1 p90 -128.27 132.08 48.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.902 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 15.2 t -99.29 122.74 42.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.897 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -72.39 166.48 22.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.916 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -76.46 128.18 34.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.856 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 83.17 15.93 70.77 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.518 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 71.3 p -123.48 127.43 48.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.721 0.295 . . . . 0.0 111.15 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -96.01 25.35 4.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.916 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -135.31 119.79 18.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.849 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . 0.479 ' CZ3' ' HG2' ' A' ' 81' ' ' ARG . 83.9 m95 -70.67 131.61 44.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.884 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 89.2 mt -91.73 130.21 41.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.107 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 98.5 t -78.9 118.96 27.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.117 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.517 ' HB2' ' CE1' ' A' ' 67' ' ' PHE . . . -85.38 -47.58 9.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.086 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 25.4 p-10 -90.34 133.37 35.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 2.4 tppp? -60.0 -64.58 0.9 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.915 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -110.78 -74.43 0.65 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.823 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 28.9 mt -141.85 158.25 44.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 41.9 mt -102.74 118.36 49.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.105 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -97.07 43.81 1.06 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.829 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 28.1 mtpt -157.1 159.39 37.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.902 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 5.2 p -87.81 8.51 25.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.162 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 14.3 mtmt -143.88 154.06 42.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.928 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.517 ' CE1' ' HB2' ' A' ' 57' ' ' ALA . 21.0 t80 -147.42 144.66 28.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.854 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 17.7 m -124.31 119.21 28.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.117 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 28.6 mt -79.05 103.21 5.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.156 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 65.2 p -82.35 135.95 35.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.155 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 90.03 61.26 1.35 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.501 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 13.6 mt -129.96 131.56 23.56 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.596 0.712 . . . . 0.0 110.966 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 164.33 34.95 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.701 2.268 . . . . 0.0 112.344 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.457 HG21 ' N ' ' A' ' 75' ' ' ASP . 83.8 m -84.71 163.84 18.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.127 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.457 ' N ' HG21 ' A' ' 74' ' ' THR . 0.3 OUTLIER 47.17 28.58 0.99 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.886 179.919 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -101.01 145.75 28.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.114 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 12.3 mmtp -111.75 121.09 44.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 9.2 pt -133.97 160.87 41.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.117 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 93.8 m-85 -109.8 133.54 53.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.848 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.437 HG23 ' CD1' ' A' ' 100' ' ' ILE . 96.3 t -108.42 137.64 39.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.114 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.479 ' HG2' ' CZ3' ' A' ' 54' ' ' TRP . 13.7 ptt180 -148.55 135.9 20.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.847 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 29.9 m -129.75 160.27 40.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.149 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 23.3 pttm -154.65 173.81 15.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.854 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -107.39 116.37 31.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.064 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 95.6 t -111.12 130.18 65.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.137 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . 0.446 ' N ' ' ND2' ' A' ' 86' ' ' ASN . 0.0 OUTLIER -139.43 173.62 11.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.879 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -51.55 -43.3 62.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.09 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -55.75 -61.22 2.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.073 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -170.93 -141.01 3.18 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.474 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -130.66 155.57 46.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.774 0.321 . . . . 0.0 111.124 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.8 m -102.22 168.96 9.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.859 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -65.41 144.73 99.04 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.642 0.734 . . . . 0.0 110.875 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 147.15 62.22 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.706 2.27 . . . . 0.0 112.311 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 25.5 tptt -122.93 112.44 17.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.933 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -101.51 139.6 36.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.927 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -65.66 167.37 9.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.916 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.2 t -68.75 -64.62 0.83 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.908 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -103.41 155.91 36.16 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.537 0.684 . . . . 0.0 110.914 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 146.29 59.61 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.68 2.254 . . . . 0.0 112.334 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.437 ' CD1' HG23 ' A' ' 80' ' ' VAL . 5.2 mp -88.85 110.83 21.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.125 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 16.1 tp -87.48 103.23 15.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.458 ' O ' ' CG2' ' A' ' 102' ' ' VAL . 0.7 OUTLIER -62.16 84.95 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.126 179.823 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . 0.429 ' HG3' ' N ' ' A' ' 104' ' ' GLU . 0.0 OUTLIER -136.43 149.56 48.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.853 179.927 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.429 ' N ' ' HG3' ' A' ' 103' ' ' LYS . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 N-CA-C 112.521 -0.232 . . . . 0.0 112.521 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -128.08 170.67 12.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.794 0.33 . . . . 0.0 111.123 -179.855 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 18.8 m -94.36 147.33 33.13 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.643 0.735 . . . . 0.0 110.867 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 169.59 18.51 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.717 2.278 . . . . 0.0 112.351 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 129.83 18.36 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.726 2.284 . . . . 0.0 112.376 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 43.1 p -120.32 179.54 4.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.132 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 16.7 mt 53.29 46.0 27.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -86.16 112.56 21.43 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.916 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 51.1 p -137.01 157.97 45.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.178 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 6.7 t -85.13 99.29 7.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.126 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -56.65 -60.95 2.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.861 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 15.8 p -146.18 154.91 42.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.819 -179.755 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 25.4 t -142.87 128.58 16.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.126 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -120.11 151.42 39.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.163 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -53.94 -17.17 2.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.865 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 3.0 p -98.12 -61.62 1.36 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.129 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 23.1 p -125.91 168.64 13.61 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.16 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.446 ' O ' ' CG2' ' A' ' 68' ' ' THR . 16.5 m -121.71 155.52 26.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.13 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 19.0 m -126.28 136.09 52.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.116 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 93.2 mmm -124.97 157.14 36.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.866 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 11.1 ptm180 -140.39 140.3 35.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.924 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 11.3 p90 -149.05 165.63 31.13 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.951 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 25.1 mtt180 -119.52 157.01 52.83 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.609 0.719 . . . . 0.0 110.812 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 169.14 19.69 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.632 2.222 . . . . 0.0 112.34 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.447 ' O ' ' C ' ' A' ' 32' ' ' ASP . 53.8 Cg_endo -69.78 144.82 55.12 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.656 2.237 . . . . 0.0 112.335 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.447 ' C ' ' O ' ' A' ' 31' ' ' PRO . 25.5 t0 -34.71 -39.41 0.09 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 26.2 t60 -160.3 170.91 20.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.426 ' CD1' ' HG2' ' A' ' 31' ' ' PRO . 43.0 mm . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.114 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.5 tp -133.78 134.4 42.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.792 0.33 . . . . 0.0 110.909 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -124.16 98.05 5.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.836 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.432 ' C ' ' CG ' ' A' ' 42' ' ' TYR . . . 41.76 -147.19 0.5 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.484 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.432 ' CG ' ' C ' ' A' ' 41' ' ' GLY . 2.2 m-85 -156.93 175.67 13.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.9 0.381 . . . . 0.0 110.935 -179.804 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 69.5 t -125.8 133.31 69.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.128 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.6 tt -136.31 131.46 34.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.924 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -144.59 170.81 15.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 6.0 p90 -139.48 140.52 37.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.875 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 4.7 t -110.39 91.16 3.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.9 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -49.67 157.71 0.53 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.825 -179.809 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -77.92 135.68 37.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.872 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 97.72 -44.3 1.85 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.473 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 19.3 p -68.89 -41.23 78.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.754 0.312 . . . . 0.0 111.153 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 67.82 26.43 7.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.879 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -133.0 142.2 48.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.88 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . 0.521 ' CZ3' ' HG2' ' A' ' 81' ' ' ARG . 88.7 m95 -87.75 110.59 20.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 17.4 mt -83.91 138.98 18.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.121 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 70.5 t -71.67 112.88 7.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.11 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.511 ' HB1' ' CE1' ' A' ' 67' ' ' PHE . . . -80.05 -64.15 1.25 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.083 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.482 ' HB3' ' CE2' ' A' ' 67' ' ' PHE . 7.5 p-10 -84.31 98.11 9.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.918 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 34.0 ttmt -44.66 -34.53 2.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.427 ' O ' ' C ' ' A' ' 61' ' ' LEU . 10.7 m-20 -128.49 147.17 50.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.866 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.427 ' C ' ' O ' ' A' ' 60' ' ' ASP . 35.1 mt -34.74 142.65 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 10.2 mt -90.68 139.81 17.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.159 179.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -103.98 -49.24 3.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.829 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 26.8 mmtt -69.28 166.56 18.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.921 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 44.4 p -94.84 35.62 1.24 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.164 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 18.1 ttmt -160.38 143.42 13.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.511 ' CE1' ' HB1' ' A' ' 57' ' ' ALA . 51.8 t80 -142.94 156.71 44.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.889 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.446 ' CG2' ' O ' ' A' ' 24' ' ' VAL . 93.6 m -139.46 130.42 26.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.154 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 20.9 mt -86.45 120.44 36.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.103 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 40.9 p -97.92 128.99 44.86 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.151 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 95.01 72.78 1.17 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.49 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 51.1 mt -137.96 135.32 18.61 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.684 0.754 . . . . 0.0 110.871 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.445 ' O ' ' CG1' ' A' ' 102' ' ' VAL . 53.5 Cg_endo -69.75 153.51 68.89 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.644 2.23 . . . . 0.0 112.34 179.849 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 43.2 m -79.56 144.39 33.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.154 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 39.0 t70 66.87 37.55 4.0 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.81 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -119.33 149.81 41.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.128 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 2.8 mtmp? -111.88 125.23 53.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 2.8 pp -129.52 153.89 39.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.097 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 89.3 m-85 -101.47 136.41 41.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.907 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 71.8 t -117.08 131.98 68.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.119 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.521 ' HG2' ' CZ3' ' A' ' 54' ' ' TRP . 0.2 OUTLIER -146.42 124.96 12.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 10.2 m -105.88 161.01 5.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.153 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 19.8 ttpt -154.88 148.77 25.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -101.65 142.11 33.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.119 179.792 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 2.8 t -132.37 132.64 60.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.139 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . 0.489 ' N ' ' ND2' ' A' ' 86' ' ' ASN . 0.0 OUTLIER -146.52 -178.52 6.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.866 -179.961 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -47.13 -50.51 20.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.094 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -53.62 -25.82 19.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.117 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 140.11 -116.98 1.24 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.527 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -144.42 155.77 43.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.817 0.341 . . . . 0.0 111.089 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 92.6 p -101.15 169.59 8.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.859 -179.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -65.72 141.8 97.92 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.668 0.747 . . . . 0.0 110.871 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 145.76 57.98 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.692 2.262 . . . . 0.0 112.353 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 38.9 tptt -103.27 99.35 9.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.886 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -81.83 133.7 35.35 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.933 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . 0.502 ' CD1' ' O ' ' A' ' 98' ' ' GLN . 1.9 t80 -77.1 129.68 36.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 30.7 t -42.0 -72.37 0.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.825 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . 0.502 ' O ' ' CD1' ' A' ' 96' ' ' TYR . 3.6 pt20 -103.83 148.77 36.34 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.549 0.69 . . . . 0.0 110.919 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 158.51 56.72 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.7 2.267 . . . . 0.0 112.327 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 11.3 mt -100.04 139.35 21.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.109 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.497 ' O ' ' N ' ' A' ' 103' ' ' LYS . 9.8 tp -107.07 99.12 8.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.445 ' CG1' ' O ' ' A' ' 73' ' ' PRO . 7.3 p -50.72 86.55 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.125 179.83 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . 0.497 ' N ' ' O ' ' A' ' 101' ' ' LEU . 35.8 tptt -140.94 155.37 46.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.867 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.887 179.972 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.268 0 N-CA-C 112.459 -0.257 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.6 p -140.58 145.88 37.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.804 0.335 . . . . 0.0 111.154 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.5 m -80.13 149.64 70.04 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.647 0.737 . . . . 0.0 110.865 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 160.15 50.78 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.67 2.247 . . . . 0.0 112.336 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 131.66 21.64 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.672 2.248 . . . . 0.0 112.316 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 69.8 p -114.87 -178.81 3.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.122 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 19.4 mt 57.01 37.05 28.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.949 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -83.39 108.98 16.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.947 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 35.5 m -143.61 154.5 43.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.138 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 11.1 t -76.34 104.31 4.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.147 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -53.2 -61.07 2.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.897 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.2 m -155.96 150.05 25.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.859 -179.77 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 54.8 t -129.27 148.06 33.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.13 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.412 ' C ' ' N ' ' A' ' 22' ' ' THR . 19.6 m -147.24 148.16 31.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.132 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 85.2 m-20 -44.0 -22.66 0.06 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.855 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.412 ' N ' ' C ' ' A' ' 20' ' ' THR . 23.8 p -81.4 -69.64 0.59 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.145 -179.876 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.408 ' CG2' ' HA ' ' A' ' 70' ' ' THR . 71.4 p -141.27 168.93 18.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.131 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 35.2 m -105.83 153.73 7.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.136 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 29.1 m -129.09 126.54 39.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.149 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 28.5 mmm -118.19 163.3 16.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.89 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 10.4 ptm180 -146.56 151.45 37.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.893 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 27.2 p90 -160.52 176.73 11.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.927 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 19.2 mtt180 -131.57 158.05 76.43 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.639 0.733 . . . . 0.0 110.876 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 169.74 18.17 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.715 2.277 . . . . 0.0 112.334 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.429 ' O ' ' C ' ' A' ' 32' ' ' ASP . 53.7 Cg_endo -69.74 141.44 45.3 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.712 2.275 . . . . 0.0 112.354 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.429 ' C ' ' O ' ' A' ' 31' ' ' PRO . 10.8 m-20 -35.36 -51.84 0.61 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.864 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 50.2 m80 -131.53 159.45 38.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.832 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 2.6 mm . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.136 179.976 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -76.3 140.06 41.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.847 0.356 . . . . 0.0 110.888 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -118.98 94.09 4.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.806 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 46.93 -156.48 0.64 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.511 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.483 ' N ' ' CD1' ' A' ' 42' ' ' TYR . 0.1 OUTLIER -146.38 177.35 9.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.955 0.407 . . . . 0.0 110.921 -179.826 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 19.9 t -133.86 131.82 56.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.144 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.3 tt -119.6 137.96 53.52 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.918 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -141.82 147.13 36.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.881 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 13.7 p90 -129.12 138.71 51.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.89 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.525 ' HB2' ' CE3' ' A' ' 54' ' ' TRP . 12.0 t -109.53 116.64 32.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.941 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -67.2 163.27 20.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.927 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -66.61 -43.55 84.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.897 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -92.57 57.82 2.64 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.518 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 2.9 p -152.04 166.38 31.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.757 0.313 . . . . 0.0 111.147 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -124.02 4.22 8.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.907 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -143.95 144.99 31.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.839 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . 0.525 ' CE3' ' HB2' ' A' ' 47' ' ' CYS . 96.5 m95 -66.17 157.96 29.96 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.957 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 12.2 mt -119.59 145.0 26.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.141 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 73.6 t -94.35 126.44 46.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.11 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -91.95 -43.37 9.49 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.11 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 8.2 p-10 -82.13 158.85 23.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.847 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 10.0 tppt? -84.45 -51.77 6.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.917 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -125.57 -65.7 0.99 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.864 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 23.6 mt -144.96 171.74 14.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.919 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 52.6 mt -116.75 102.31 13.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.107 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -64.58 -61.41 2.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 6.2 mtpm? -65.78 154.49 38.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 81.5 p -87.94 40.79 0.96 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.165 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 14.5 ttmt -160.13 140.93 12.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.862 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.508 ' CD1' ' N ' ' A' ' 68' ' ' THR . 10.2 t80 -137.67 156.1 48.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.893 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.508 ' N ' ' CD1' ' A' ' 67' ' ' PHE . 40.0 m -140.21 111.19 6.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.121 -179.887 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 46.6 mt -67.13 105.17 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.162 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.408 ' HA ' ' CG2' ' A' ' 23' ' ' THR . 35.9 p -82.73 131.58 35.2 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.12 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 91.21 71.84 1.22 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.483 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 10.9 mt -131.23 125.66 21.05 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.63 0.728 . . . . 0.0 110.918 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 128.54 16.21 Favored 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 122.714 2.276 . . . . 0.0 112.356 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.439 ' O ' ' CG ' ' A' ' 75' ' ' ASP . 89.7 m -50.57 159.29 0.53 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.112 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.439 ' CG ' ' O ' ' A' ' 74' ' ' THR . 1.2 p30 46.33 47.44 13.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.886 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -126.93 142.4 51.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.086 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 64.2 mttt -102.64 141.18 35.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.418 HD12 ' C ' ' A' ' 78' ' ' ILE . 2.8 pp -148.14 -179.58 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.091 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 69.1 m-85 -127.97 149.57 50.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.857 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 96.7 t -128.4 120.99 54.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.118 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.603 ' NE ' ' CD1' ' A' ' 95' ' ' TYR . 34.2 mmt-85 -130.03 132.22 46.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.856 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 22.5 m -126.34 137.73 56.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.157 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 28.6 pttt -139.15 136.07 34.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.934 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -66.96 125.46 26.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.1 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 97.8 t -111.38 116.31 52.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.134 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . 0.476 ' N ' ' ND2' ' A' ' 86' ' ' ASN . 0.1 OUTLIER -123.12 174.2 7.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.874 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.21 -39.24 93.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.052 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -69.15 -52.1 31.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.052 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -179.17 177.24 48.33 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.504 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -102.11 159.28 15.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.785 0.326 . . . . 0.0 111.131 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.3 t -102.72 161.84 13.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.85 -179.784 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 19.4 pt-20 -47.52 143.3 5.66 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.703 0.764 . . . . 0.0 110.863 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 138.3 37.6 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.741 2.294 . . . . 0.0 112.316 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 12.8 tptp -86.54 111.4 20.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.91 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . 0.603 ' CD1' ' NE ' ' A' ' 81' ' ' ARG . 31.1 m-85 -93.59 108.09 19.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.956 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . 0.409 ' CD1' ' N ' ' A' ' 97' ' ' SER . 2.5 t80 -62.07 137.22 58.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.924 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' SER . . . . . 0.409 ' N ' ' CD1' ' A' ' 96' ' ' TYR . 30.5 t -40.99 -74.88 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.836 -179.847 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 -106.54 154.63 39.83 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.603 0.716 . . . . 0.0 110.877 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 154.64 67.6 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.68 2.253 . . . . 0.0 112.338 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.452 ' N ' ' CD1' ' A' ' 100' ' ' ILE . 2.6 mp -92.53 127.37 44.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.118 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 16.7 tp -103.01 115.95 31.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.903 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 7.2 p -65.97 76.45 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.13 179.797 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 20.3 tptp -139.15 142.21 38.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.89 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.865 179.967 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -102.42 173.09 6.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.796 0.331 . . . . 0.0 111.146 -179.89 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 9.2 t -90.62 142.22 27.75 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.657 0.742 . . . . 0.0 110.92 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 169.72 18.18 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.699 2.266 . . . . 0.0 112.352 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 129.52 17.71 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.666 2.244 . . . . 0.0 112.333 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 57.1 p -110.44 -178.33 3.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.125 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 29.8 mt 50.31 48.82 21.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.87 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -83.61 111.53 19.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.461 ' CG2' ' N ' ' A' ' 16' ' ' VAL . 4.7 m -151.87 155.89 39.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.127 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.461 ' N ' ' CG2' ' A' ' 15' ' ' THR . 21.8 t -71.61 141.41 16.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.126 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -100.64 -45.09 5.62 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.851 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.7 t -153.91 159.1 41.61 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.831 -179.726 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 90.5 t -147.99 130.58 7.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.139 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -125.86 176.32 7.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.101 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 35.8 p-10 -82.99 4.78 24.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.873 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.2 p -121.37 -47.56 2.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.136 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 44.8 p -145.95 160.63 41.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.127 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.426 ' CG2' HD11 ' A' ' 69' ' ' ILE . 13.3 m -117.53 147.1 21.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.102 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 5.2 m -113.51 147.26 38.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.179 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 91.0 mmm -130.94 159.96 35.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.913 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 8.0 ptm180 -148.75 154.78 40.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.866 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 27.0 p90 -160.38 177.9 10.12 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.943 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.464 ' HG3' ' N ' ' A' ' 30' ' ' PRO . 0.1 OUTLIER -123.33 143.21 40.61 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.642 0.734 . . . . 0.0 110.861 -179.949 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.464 ' N ' ' HG3' ' A' ' 29' ' ' ARG . 53.5 Cg_endo -69.77 165.62 30.36 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.698 2.265 . . . . 0.0 112.315 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 139.03 39.19 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.68 2.253 . . . . 0.0 112.329 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -55.43 -41.92 73.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.858 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 15.2 t60 -113.01 163.97 14.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 16.8 mm . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.12 179.975 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.491 -0.243 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 9.5 tp -115.1 137.37 52.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.804 0.335 . . . . 0.0 110.924 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -122.99 95.72 4.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.866 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.415 ' C ' ' CG ' ' A' ' 42' ' ' TYR . . . 38.88 -147.42 0.13 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.492 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.415 ' CG ' ' C ' ' A' ' 41' ' ' GLY . 1.1 m-85 -154.62 170.49 21.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.945 0.402 . . . . 0.0 110.895 -179.787 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 59.7 t -124.62 128.34 73.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.166 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.427 ' O ' ' CG ' ' A' ' 45' ' ' GLU . 9.5 tt -120.07 158.39 26.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.427 ' CG ' ' O ' ' A' ' 44' ' ' LEU . 28.4 mt-10 -161.1 173.49 15.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.921 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 21.8 p90 -149.83 137.02 19.7 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.906 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.56 ' HB2' ' CE3' ' A' ' 54' ' ' TRP . 19.2 t -107.65 104.1 13.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.881 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -61.8 141.36 57.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.92 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -51.57 140.26 18.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.899 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 90.35 -49.98 3.26 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.509 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 64.7 p -79.17 120.08 23.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.725 0.298 . . . . 0.0 111.168 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 22.2 tp10 -87.14 26.75 1.13 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.916 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -124.92 119.87 30.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.888 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . 0.56 ' CE3' ' HB2' ' A' ' 47' ' ' CYS . 96.6 m95 -64.26 128.48 35.97 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.893 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 5.2 mp -96.26 123.55 48.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.109 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 92.7 t -67.84 122.47 19.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.121 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -89.17 -51.22 5.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.078 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.471 ' HB3' ' CE1' ' A' ' 67' ' ' PHE . 11.9 p-10 -108.75 125.55 52.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.864 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 11.3 ttpp -73.43 -45.25 55.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.845 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -102.07 156.68 17.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.876 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 13.9 mt -46.49 156.08 0.2 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.948 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 52.0 mt -104.78 112.34 38.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.117 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -91.31 33.79 0.97 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.85 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 7.7 mmtp -142.36 150.57 40.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.881 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 2.0 p -81.53 9.57 7.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.122 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 5.2 mtmp? -140.5 167.21 22.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.854 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.471 ' CE1' ' HB3' ' A' ' 58' ' ' ASN . 55.4 t80 -161.75 143.78 11.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.857 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 79.8 m -127.28 123.42 36.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.127 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.426 HD11 ' CG2' ' A' ' 24' ' ' VAL . 17.1 mt -79.89 129.67 37.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.153 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 82.6 p -107.07 134.64 49.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.155 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 91.14 62.53 1.22 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.482 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 26.0 mt -127.7 131.52 23.86 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.575 0.703 . . . . 0.0 110.918 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.402 ' O ' ' CG1' ' A' ' 102' ' ' VAL . 54.1 Cg_endo -69.7 156.23 64.05 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.701 2.268 . . . . 0.0 112.366 179.828 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 71.2 m -79.44 140.97 37.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.202 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 8.8 t70 65.33 48.48 2.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.899 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -132.51 144.23 50.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.115 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 21.4 mtpt -102.16 135.7 43.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 2.5 pp -140.65 154.11 21.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.149 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 64.2 m-85 -98.61 161.54 13.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.876 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.494 ' O ' ' NE ' ' A' ' 81' ' ' ARG . 65.9 t -140.93 116.43 6.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.149 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.516 ' CG ' ' CH2' ' A' ' 54' ' ' TRP . 16.1 mmp_? -121.83 125.55 46.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.847 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 34.1 m -119.0 129.73 74.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.113 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 20.4 pttt -134.09 165.04 25.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.878 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -101.98 124.14 47.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.105 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 59.4 t -117.33 121.85 68.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.135 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -147.15 179.87 7.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -42.63 -57.35 2.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.102 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -43.48 -51.12 6.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.115 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 162.84 -125.5 1.41 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.493 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -141.7 151.14 42.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.778 0.323 . . . . 0.0 111.155 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 21.6 m -101.12 154.9 18.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.863 -179.77 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -51.69 148.41 9.92 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.611 0.72 . . . . 0.0 110.919 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 134.11 27.04 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.685 2.257 . . . . 0.0 112.295 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 9.1 tmtt? -90.52 108.87 20.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.922 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . 0.469 ' HA ' ' NE ' ' A' ' 81' ' ' ARG . 74.7 m-85 -82.16 105.96 13.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.915 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . 0.596 ' CD2' ' O ' ' A' ' 98' ' ' GLN . 9.7 t80 -51.7 152.12 3.0 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.951 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 12.5 m -52.84 -69.9 0.1 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.844 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . 0.596 ' O ' ' CD2' ' A' ' 96' ' ' TYR . 10.2 mm100 -117.56 151.43 48.29 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.574 0.702 . . . . 0.0 110.931 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 162.11 43.31 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.708 2.272 . . . . 0.0 112.342 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.422 HG12 ' CG2' ' A' ' 16' ' ' VAL . 12.1 mt -101.56 147.79 8.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.111 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.485 ' O ' ' N ' ' A' ' 103' ' ' LYS . 25.8 tp -121.8 99.69 6.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.402 ' CG1' ' O ' ' A' ' 73' ' ' PRO . 7.3 p -49.18 87.77 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.11 179.841 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . 0.485 ' N ' ' O ' ' A' ' 101' ' ' LEU . 20.6 tptm -144.32 147.68 33.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.911 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.864 179.974 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.8 m -87.73 161.2 17.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.759 0.314 . . . . 0.0 111.179 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.2 m -88.32 149.88 45.72 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.627 0.727 . . . . 0.0 110.898 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.75 168.49 21.4 Favored 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.704 2.269 . . . . 0.0 112.358 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 133.36 25.33 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.696 2.264 . . . . 0.0 112.33 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 66.4 p -122.14 174.38 6.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.106 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 12.8 mt 54.38 49.81 17.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.95 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -82.22 126.29 31.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.933 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.474 ' CG2' ' N ' ' A' ' 16' ' ' VAL . 4.5 m -149.92 156.93 42.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.155 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.474 ' N ' ' CG2' ' A' ' 15' ' ' THR . 10.5 t -81.28 108.78 14.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.165 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -57.57 -48.46 79.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.905 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.5 t -157.34 174.65 15.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 76.0 t -150.74 132.28 5.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.119 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.48 ' O ' ' N ' ' A' ' 22' ' ' THR . 2.9 m -140.28 132.15 27.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.147 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 16.5 p30 -39.55 -25.79 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.885 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.48 ' N ' ' O ' ' A' ' 20' ' ' THR . 72.8 p -83.0 -49.71 9.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.179 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 39.1 p -151.95 169.48 22.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.14 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 33.8 m -119.75 151.45 22.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.146 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.9 m -118.99 124.88 48.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.166 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 95.8 mmm -123.45 134.72 53.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.907 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 25.1 ptt180 -126.38 161.06 28.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.867 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.525 ' CD2' ' O ' ' A' ' 65' ' ' THR . 40.1 p90 -145.36 177.25 8.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.931 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 8.2 mmm180 -117.77 151.25 48.36 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.616 0.722 . . . . 0.0 110.851 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 153.13 69.15 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.697 2.265 . . . . 0.0 112.301 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 138.46 37.77 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.679 2.253 . . . . 0.0 112.356 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 15.5 t0 -53.02 -41.62 64.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.853 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.403 ' ND1' ' N ' ' A' ' 34' ' ' ILE . 63.9 t-80 -111.89 157.55 20.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.849 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.403 ' N ' ' ND1' ' A' ' 33' ' ' HIS . 25.6 mm . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.15 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 5.1 tp -76.6 124.46 27.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.863 0.363 . . . . 0.0 110.915 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.428 ' OD1' ' N ' ' A' ' 40' ' ' ASP . 0.2 OUTLIER -111.76 95.28 5.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 179.841 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.633 ' C ' ' CD1' ' A' ' 42' ' ' TYR . . . 58.83 -145.27 43.48 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.481 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.633 ' CD1' ' C ' ' A' ' 41' ' ' GLY . 3.9 m-85 -156.63 -175.09 5.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.92 0.39 . . . . 0.0 110.93 -179.794 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 94.7 t -140.69 135.65 34.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.13 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.53 HD21 ' CD1' ' A' ' 67' ' ' PHE . 5.6 tp -110.09 153.99 23.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.935 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -157.17 142.47 17.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.915 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 8.6 p90 -142.0 136.02 29.87 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.969 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.523 ' HB2' ' CD2' ' A' ' 54' ' ' TRP . 1.5 t -108.96 115.42 30.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.895 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -62.8 164.36 8.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.892 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -72.64 -51.71 18.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.893 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.426 ' O ' ' CG2' ' A' ' 51' ' ' THR . . . -79.03 46.04 2.88 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.481 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.426 ' CG2' ' O ' ' A' ' 50' ' ' GLY . 72.3 p -158.43 164.99 35.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.81 0.338 . . . . 0.0 111.12 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -122.77 15.13 10.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.937 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 41.1 m-20 -125.65 155.26 41.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.854 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . 0.523 ' CD2' ' HB2' ' A' ' 47' ' ' CYS . 75.6 m95 -100.65 110.66 22.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.945 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 12.0 mt -76.48 137.37 22.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.129 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 92.8 t -89.27 119.9 37.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.134 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -74.42 -57.98 3.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.057 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.439 HD22 ' N ' ' A' ' 61' ' ' LEU . 47.0 t30 -74.22 171.19 14.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 -179.868 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 24.1 tptt -113.96 -67.72 0.98 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -102.13 -73.03 0.67 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.813 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.439 ' N ' HD22 ' A' ' 58' ' ' ASN . 0.7 OUTLIER -152.81 135.68 15.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.92 -179.943 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 8.7 mt -87.34 107.15 16.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.125 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -53.91 -41.45 67.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.839 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 27.2 mtmt -81.02 162.12 23.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.923 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.525 ' O ' ' CD2' ' A' ' 28' ' ' TRP . 11.0 p -87.27 16.92 4.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.169 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.469 ' HA ' ' CZ3' ' A' ' 28' ' ' TRP . 4.6 ptpp? -144.72 -177.77 5.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.892 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.574 ' CD1' ' N ' ' A' ' 68' ' ' THR . 12.0 t80 -165.52 153.04 10.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.877 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.574 ' N ' ' CD1' ' A' ' 67' ' ' PHE . 85.9 m -129.23 118.05 21.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.143 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 18.2 mt -73.5 109.33 5.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.127 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 30.4 p -85.35 133.63 34.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.138 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 86.34 77.27 1.23 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.468 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 30.9 mt -136.4 133.34 19.26 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.633 0.73 . . . . 0.0 110.856 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.411 ' HG2' ' CB ' ' A' ' 76' ' ' ALA . 53.7 Cg_endo -69.84 131.37 21.0 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.685 2.257 . . . . 0.0 112.287 179.867 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 25.6 m -60.39 138.47 57.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.098 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 22.3 t70 68.57 42.8 1.45 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.411 ' CB ' ' HG2' ' A' ' 73' ' ' PRO . . . -122.11 139.51 53.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.104 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 50.7 mttt -99.03 127.54 44.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 8.0 pt -138.78 163.34 27.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.132 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 67.9 m-85 -101.3 162.33 12.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.834 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 90.1 t -144.81 127.8 11.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.147 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.554 ' CD ' ' CE1' ' A' ' 95' ' ' TYR . 4.7 mtm105 -144.23 131.36 20.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 3.4 m -119.67 149.37 22.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.159 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -150.57 154.6 37.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.925 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -81.35 138.29 35.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.144 179.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 96.3 t -136.1 126.8 42.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.175 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -145.22 -179.89 6.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -44.95 -50.3 10.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.087 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -51.63 -55.49 19.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.098 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 173.36 -138.02 4.4 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.482 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -128.87 170.83 12.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.84 0.352 . . . . 0.0 111.101 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 58.3 p -112.95 169.33 9.0 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.858 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -61.58 143.32 93.7 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.592 0.711 . . . . 0.0 110.913 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 145.66 57.79 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.71 2.273 . . . . 0.0 112.288 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 6.7 tmtm? -106.99 123.88 48.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.915 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . 0.554 ' CE1' ' CD ' ' A' ' 81' ' ' ARG . 6.9 m-85 -104.12 114.59 28.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.865 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . 0.454 ' CD2' ' N ' ' A' ' 97' ' ' SER . 27.3 t80 -60.38 171.14 1.13 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.962 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' SER . . . . . 0.454 ' N ' ' CD2' ' A' ' 96' ' ' TYR . 64.9 m -73.42 -73.57 0.21 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.842 -179.841 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -102.65 149.58 36.88 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.58 0.705 . . . . 0.0 110.943 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 137.34 35.29 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.689 2.259 . . . . 0.0 112.328 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 3.8 mp -79.7 131.67 33.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.141 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 11.5 tp -109.95 104.02 12.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.878 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 3.6 p -53.62 94.79 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.102 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 31.8 tptt -144.99 148.4 33.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 16.6 tm-20 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.964 179.931 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 N-CA-C 112.443 -0.263 . . . . 0.0 112.443 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.6 m -86.37 164.19 17.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.816 0.341 . . . . 0.0 111.125 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 39.9 m -93.22 149.45 37.45 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.661 0.743 . . . . 0.0 110.858 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 169.9 17.82 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.731 2.287 . . . . 0.0 112.364 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 130.29 19.05 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.689 2.26 . . . . 0.0 112.338 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 79.6 p -110.96 -175.33 2.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.099 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 29.9 mt 47.3 48.96 15.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.916 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.462 ' CD1' ' CD2' ' A' ' 96' ' ' TYR . 2.4 tm? -81.75 110.53 17.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.916 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.5 t -145.44 158.06 43.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.109 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 4.6 t -89.09 120.07 37.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.146 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -77.45 -60.18 2.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.865 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.2 t -126.76 166.54 17.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.857 -179.74 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 53.0 t -157.14 120.55 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.172 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -120.96 152.11 38.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.145 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -60.25 -10.78 5.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.845 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -105.52 -48.77 3.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.175 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.438 ' CG2' ' HA ' ' A' ' 70' ' ' THR . 58.1 p -135.09 163.11 30.64 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.165 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 4.6 m -130.18 130.89 65.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.144 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 37.9 m -102.01 144.95 29.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.134 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 77.8 mmm -132.06 134.47 45.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.864 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 9.5 ptt180 -115.4 151.35 34.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.88 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.477 ' CD2' ' O ' ' A' ' 65' ' ' THR . 11.7 p90 -159.1 167.56 28.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.899 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.469 ' HG3' ' N ' ' A' ' 30' ' ' PRO . 0.7 OUTLIER -119.77 143.2 34.52 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.553 0.692 . . . . 0.0 110.899 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.469 ' N ' ' HG3' ' A' ' 29' ' ' ARG . 53.5 Cg_endo -69.81 168.9 20.3 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.663 2.242 . . . . 0.0 112.33 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 136.65 33.66 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.71 2.273 . . . . 0.0 112.355 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -40.88 -44.56 2.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.874 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 5.2 t-80 -125.14 162.16 25.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.856 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 3.2 mm . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.111 179.964 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.6 tp -106.63 127.55 53.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.819 0.343 . . . . 0.0 110.918 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -121.77 94.85 4.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.844 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 46.41 -160.7 0.23 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.495 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.432 ' CD1' ' N ' ' A' ' 42' ' ' TYR . 0.3 OUTLIER -148.71 163.76 36.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.936 0.398 . . . . 0.0 110.918 -179.783 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 98.9 t -107.99 136.76 42.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.154 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.9 tt -134.56 129.31 34.84 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.945 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -137.21 148.43 46.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 6.4 p90 -127.11 141.79 51.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.955 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 19.9 t -111.83 103.22 11.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.909 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -60.06 152.91 22.9 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -64.54 136.39 56.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 94.8 -35.41 4.25 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.528 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 50.3 p -88.65 123.02 32.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.718 0.294 . . . . 0.0 111.173 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.6 mp0 -89.02 29.71 1.02 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.894 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -130.64 132.68 45.59 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.822 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . 0.56 ' CH2' ' HG2' ' A' ' 81' ' ' ARG . 83.5 m95 -79.99 117.54 20.92 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 16.8 mt -88.25 131.51 35.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.122 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 84.8 t -79.15 124.42 37.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.138 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.499 ' HB2' ' CZ ' ' A' ' 67' ' ' PHE . . . -86.17 -60.53 1.98 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.087 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 13.1 p-10 -70.38 143.25 51.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.847 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -72.47 -60.77 2.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.915 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -115.92 -73.57 0.64 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.858 179.84 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 7.3 mt -142.8 154.4 44.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.908 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 14.7 mt -99.59 110.68 27.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.147 179.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -64.41 -60.02 3.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.842 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 66.2 mttt -75.27 157.49 34.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.477 ' O ' ' CD2' ' A' ' 28' ' ' TRP . 29.8 p -81.74 7.06 13.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.132 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -121.56 143.18 49.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.938 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.499 ' CZ ' ' HB2' ' A' ' 57' ' ' ALA . 25.1 t80 -138.15 145.6 41.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.893 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 91.9 m -133.57 127.66 33.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.203 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 10.7 mt -93.25 128.28 44.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.154 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.438 ' HA ' ' CG2' ' A' ' 23' ' ' THR . 25.5 p -104.5 140.01 38.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.155 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 86.06 63.7 1.51 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.46 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 61.3 mt -125.12 128.78 24.72 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.65 0.738 . . . . 0.0 110.913 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 128.54 16.22 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.737 2.291 . . . . 0.0 112.376 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 22.7 m -54.55 155.87 3.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.147 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 54.74 35.28 23.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -114.8 130.67 56.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.087 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 40.6 mttm -95.99 121.89 38.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.927 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 2.1 pp -134.89 157.16 40.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.192 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -101.92 160.74 14.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.84 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.45 ' O ' ' NE ' ' A' ' 81' ' ' ARG . 79.7 t -141.63 115.97 5.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.17 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.56 ' HG2' ' CH2' ' A' ' 54' ' ' TRP . 15.5 mmp_? -118.68 136.8 53.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.854 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 7.9 m -128.8 134.61 64.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.1 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.434 ' NZ ' ' O ' ' A' ' 91' ' ' SER . 0.0 OUTLIER -132.99 174.25 10.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.895 179.902 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -110.58 142.26 42.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.076 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 18.1 t -139.04 123.64 20.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.143 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . 0.422 ' O ' ' C ' ' A' ' 87' ' ' ALA . 2.1 p30 -147.97 170.04 18.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.939 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.422 ' C ' ' O ' ' A' ' 86' ' ' ASN . . . -36.33 -41.73 0.29 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.065 179.87 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -56.69 -62.06 2.0 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.105 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 178.32 -132.87 2.01 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.455 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -135.81 150.11 49.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.754 0.312 . . . . 0.0 111.066 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' SER . . . . . 0.434 ' O ' ' NZ ' ' A' ' 83' ' ' LYS . 12.7 t -108.14 162.54 13.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.84 -179.799 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -65.7 141.38 97.76 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.61 0.719 . . . . 0.0 110.893 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 145.08 55.99 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.691 2.261 . . . . 0.0 112.313 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 8.3 tmtt? -86.59 119.78 27.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.905 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . 0.463 ' HA ' ' NE ' ' A' ' 81' ' ' ARG . 47.0 m-85 -90.55 109.49 20.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.949 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . 0.462 ' CD2' ' CD1' ' A' ' 14' ' ' LEU . 0.9 OUTLIER -61.15 123.24 17.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.912 -179.915 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' SER . . . . . 0.438 ' C ' ' O ' ' A' ' 96' ' ' TYR . 57.7 p -34.9 -70.18 0.09 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.89 -179.873 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -106.14 156.15 37.3 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.621 0.724 . . . . 0.0 110.874 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 166.75 26.55 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.716 2.277 . . . . 0.0 112.346 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 6.3 mt -112.31 122.67 66.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.12 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 14.7 tp -98.23 108.81 21.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.957 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -61.24 92.16 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.148 179.849 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 23.8 tptp -138.98 152.04 47.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.913 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.892 -179.99 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 20.9 m -95.27 158.61 15.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.805 0.336 . . . . 0.0 111.185 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.3 t -79.29 149.38 72.42 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.651 0.738 . . . . 0.0 110.881 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 169.32 19.25 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.656 2.237 . . . . 0.0 112.37 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 119.67 6.58 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.642 2.228 . . . . 0.0 112.336 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 66.1 p -110.01 -176.67 3.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.144 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 47.0 mt 50.16 50.26 18.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.967 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -89.31 110.5 21.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.917 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.7 t -139.77 154.81 47.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.104 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 17.5 t -75.23 116.03 17.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.123 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -69.62 -59.38 3.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 48.2 m -154.83 132.86 11.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.831 -179.738 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.458 HG21 ' CG2' ' A' ' 100' ' ' ILE . 40.6 t -110.02 128.45 66.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.082 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -125.4 144.3 50.58 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.143 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -54.32 -21.38 9.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.909 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 20.9 p -92.2 -51.48 5.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.154 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 81.3 p -144.4 161.91 37.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.137 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 35.0 m -108.97 151.12 11.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.118 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 17.6 m -126.22 121.78 33.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.155 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 98.6 mmm -111.32 168.52 9.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.863 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 1.6 ptp180 -149.44 150.0 31.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.826 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 21.8 p90 -158.41 158.7 34.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.888 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 23.6 mtt-85 -114.63 158.4 40.35 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.631 0.729 . . . . 0.0 110.889 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 163.98 36.23 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.657 2.238 . . . . 0.0 112.366 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.419 ' O ' ' C ' ' A' ' 32' ' ' ASP . 53.5 Cg_endo -69.75 146.9 61.65 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.745 2.297 . . . . 0.0 112.333 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.419 ' C ' ' O ' ' A' ' 31' ' ' PRO . 5.0 t70 -35.42 -44.38 0.29 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.919 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 23.1 p-80 -148.93 167.25 26.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.847 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 15.3 mm . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.141 179.956 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 9.3 tp -133.64 130.99 39.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.825 0.345 . . . . 0.0 110.9 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.447 ' O ' ' C ' ' A' ' 41' ' ' GLY . 11.6 m-20 -115.77 94.42 4.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.861 179.856 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.447 ' C ' ' O ' ' A' ' 40' ' ' ASP . . . 34.02 -147.7 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.511 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -148.4 -176.37 5.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.941 0.401 . . . . 0.0 110.945 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 61.0 t -138.83 141.41 36.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.168 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.551 HD21 ' CD1' ' A' ' 67' ' ' PHE . 5.8 tp -126.62 139.09 53.44 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.91 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.471 ' OE1' ' N ' ' A' ' 45' ' ' GLU . 2.4 mp0 -145.91 135.87 23.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.856 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 21.2 p90 -124.72 137.41 54.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.925 -179.814 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.518 ' HB2' ' CD2' ' A' ' 54' ' ' TRP . 11.0 t -105.38 116.6 32.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.885 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -66.06 173.25 3.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.3 pp20? -95.44 13.5 25.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -124.32 -3.97 7.82 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.507 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 20.2 p -133.04 141.58 48.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.766 0.317 . . . . 0.0 111.141 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 57.5 mm-40 -88.96 28.34 1.19 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.869 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 33.1 m-20 -136.69 149.39 47.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.856 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . 0.565 ' CZ3' ' HG2' ' A' ' 81' ' ' ARG . 92.1 m95 -84.56 132.31 34.53 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.947 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 5.2 mp -96.29 135.43 30.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.106 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 85.5 t -84.48 131.94 32.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.092 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.507 ' HB1' ' CZ ' ' A' ' 67' ' ' PHE . . . -96.64 -58.29 2.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.064 179.869 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 18.5 p-10 -62.19 130.18 44.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.8 mppt? -61.86 -46.4 89.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.888 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -133.29 -67.73 0.61 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.846 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 6.8 mt -149.39 143.27 25.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.884 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 7.4 mt -89.91 121.08 39.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.152 179.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -82.32 -56.05 4.14 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.886 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.2 mppt? -62.39 173.21 1.26 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.842 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 3.9 p -97.94 15.57 23.56 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.137 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 36.2 mttp -140.78 166.81 23.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.921 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.551 ' CD1' HD21 ' A' ' 44' ' ' LEU . 24.0 t80 -165.46 138.27 4.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.824 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 91.4 m -120.61 120.17 35.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.104 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 31.4 mt -72.1 114.24 10.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.079 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 40.0 p -91.78 130.01 37.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.184 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 97.33 72.17 1.08 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.5 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 81.1 mt -137.1 123.34 13.41 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.58 0.705 . . . . 0.0 110.899 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 133.24 25.19 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.692 2.262 . . . . 0.0 112.343 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 91.5 m -56.11 145.57 25.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.19 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 21.4 t0 65.46 36.29 6.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.885 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -118.49 146.57 44.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.088 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 76.7 mttt -105.14 136.59 44.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.851 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 8.2 pt -146.87 151.6 13.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.127 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 81.3 m-85 -102.34 144.34 30.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 70.8 t -117.16 142.7 29.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.124 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.565 ' HG2' ' CZ3' ' A' ' 54' ' ' TRP . 0.2 OUTLIER -154.26 149.36 26.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.877 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.449 ' CG1' HD12 ' A' ' 44' ' ' LEU . 11.2 m -141.7 154.48 19.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.12 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.23 158.77 44.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.877 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -98.58 128.55 44.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.052 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 91.5 t -117.24 117.73 56.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.117 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . 0.404 ' O ' ' C ' ' A' ' 87' ' ' ALA . 0.1 OUTLIER -138.81 164.46 29.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.863 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 86' ' ' ASN . . . -37.74 -52.59 1.27 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.126 179.879 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -40.53 -44.92 2.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.143 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 159.03 -106.31 0.28 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.516 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -152.56 154.09 34.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.814 0.34 . . . . 0.0 111.038 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.1 m -102.34 166.77 10.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.856 -179.778 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -62.1 152.46 77.84 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.633 0.73 . . . . 0.0 110.889 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.505 ' HB2' ' CZ ' ' A' ' 95' ' ' TYR . 54.0 Cg_endo -69.77 150.18 67.81 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.649 2.233 . . . . 0.0 112.35 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 12.2 tptm -122.62 127.9 49.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . 0.505 ' CZ ' ' HB2' ' A' ' 93' ' ' PRO . 12.4 m-85 -127.11 136.89 52.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.922 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 19.5 t80 -70.04 175.51 4.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.942 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 12.3 m -71.05 -68.36 0.44 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.88 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 51.0 mt-30 -107.22 155.62 39.05 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.568 0.699 . . . . 0.0 110.951 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 146.98 61.66 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.717 2.278 . . . . 0.0 112.327 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.458 ' CG2' HG21 ' A' ' 19' ' ' VAL . 2.9 mp -91.89 127.68 44.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.136 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 9.5 tp -102.99 115.67 31.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.928 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.426 ' O ' ' CG1' ' A' ' 102' ' ' VAL . 8.1 p -60.37 89.65 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.153 179.867 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 20.5 tptp -139.12 151.62 46.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.915 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 6.5 tm-20 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 179.923 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -101.96 149.03 24.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.83 0.347 . . . . 0.0 111.158 -179.856 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.8 p -85.34 148.78 50.65 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.703 0.763 . . . . 0.0 110.851 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.68 168.06 22.54 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.696 2.264 . . . . 0.0 112.366 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 120.95 7.65 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.711 2.274 . . . . 0.0 112.35 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 43.2 p -100.66 173.27 6.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.15 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 50.5 mt 56.31 52.7 9.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.925 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -88.31 114.96 25.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.92 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 9.4 m -155.25 146.91 23.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.185 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.435 HG11 ' CG2' ' A' ' 19' ' ' VAL . 97.6 t -68.59 114.4 5.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.154 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 44.0 t0 -65.27 -49.9 67.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 72.6 m -144.64 166.25 25.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.909 -179.779 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.435 ' CG2' HG11 ' A' ' 16' ' ' VAL . 92.7 t -148.25 123.38 2.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.158 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.461 ' O ' ' N ' ' A' ' 22' ' ' THR . 7.7 m -131.0 133.13 45.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.155 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -40.43 -25.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.861 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.461 ' N ' ' O ' ' A' ' 20' ' ' THR . 27.4 p -86.91 -57.91 2.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.122 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 61.8 p -137.2 168.84 18.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.2 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 33.0 m -123.44 147.34 27.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.146 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 4.3 m -112.87 124.14 51.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.137 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.432 ' SD ' ' CG2' ' A' ' 16' ' ' VAL . 69.8 mmm -111.69 154.28 25.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.844 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 5.8 ptm180 -148.13 147.17 29.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.837 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 40.9 p90 -147.94 170.12 18.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.966 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.493 ' CD ' ' HD2' ' A' ' 30' ' ' PRO . 4.5 tpt180 -116.0 140.25 26.05 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.596 0.713 . . . . 0.0 110.871 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.493 ' HD2' ' CD ' ' A' ' 29' ' ' ARG . 53.8 Cg_endo -69.85 169.94 17.86 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.661 2.241 . . . . 0.0 112.337 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 152.06 69.61 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.701 2.267 . . . . 0.0 112.383 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.4 ' OD2' ' CD2' ' A' ' 33' ' ' HIS . 7.6 t70 -62.49 -40.38 96.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.856 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.4 ' CD2' ' OD2' ' A' ' 32' ' ' ASP . 59.8 m-70 -131.03 167.77 18.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.912 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 4.0 mm . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.14 -179.991 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 8.2 tp -80.24 132.38 35.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.832 0.348 . . . . 0.0 110.935 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -118.29 95.9 5.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.834 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 48.69 -162.04 0.52 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.483 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -143.0 175.33 9.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.919 0.39 . . . . 0.0 110.943 -179.78 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.403 ' O ' ' NH2' ' A' ' 81' ' ' ARG . 55.0 t -135.86 125.95 41.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.106 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.421 HD22 ' N ' ' A' ' 45' ' ' GLU . 10.1 tt -122.75 143.91 49.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.906 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.421 ' N ' HD22 ' A' ' 44' ' ' LEU . 17.9 mt-10 -142.35 170.44 15.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.401 ' CE1' ' HB ' ' A' ' 55' ' ' ILE . 6.9 p90 -147.78 131.42 16.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.86 -179.849 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.496 ' HB2' ' CD2' ' A' ' 54' ' ' TRP . 9.3 t -103.5 111.46 23.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.863 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -75.69 135.73 40.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.888 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -59.94 120.3 9.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.873 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 100.88 33.57 4.95 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.511 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 74.8 p -126.94 173.21 9.8 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.756 0.312 . . . . 0.0 111.154 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -95.75 -38.1 10.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.879 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -139.74 154.24 47.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . 0.496 ' CD2' ' HB2' ' A' ' 47' ' ' CYS . 21.0 m95 -51.78 178.22 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.401 ' HB ' ' CE1' ' A' ' 46' ' ' TYR . 19.0 mt -130.85 119.59 45.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.098 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 77.9 t -65.92 119.41 10.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.136 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -87.61 -54.08 4.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.105 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 31.0 p-10 -76.21 158.51 31.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.884 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 71.4 mttt -76.84 -73.33 0.29 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.858 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -110.1 -66.75 1.04 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.861 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 21.6 mt -149.59 151.23 33.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.856 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.415 HD12 ' CD1' ' A' ' 67' ' ' PHE . 15.9 mt -98.31 108.31 21.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.103 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -61.06 -51.87 67.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 46.4 mtmt -74.44 168.84 18.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.902 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 76.0 p -91.4 10.08 29.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.14 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 25.5 mtpt -125.39 156.52 38.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.912 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.415 ' CD1' HD12 ' A' ' 62' ' ' ILE . 32.3 t80 -150.57 156.86 42.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.896 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 97.1 m -137.16 117.89 14.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.154 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 11.0 mt -78.9 117.96 25.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.133 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 27.7 p -94.83 132.89 39.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.123 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 89.83 75.86 1.3 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.521 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 19.1 mt -137.64 124.22 13.37 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.58 0.705 . . . . 0.0 110.917 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.78 127.13 14.14 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.677 2.251 . . . . 0.0 112.343 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 9.4 m -53.52 143.5 19.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.092 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 26.9 t0 68.66 31.8 4.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -115.15 137.32 52.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.127 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 53.8 mttp -101.66 131.12 48.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.908 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 13.5 pt -138.73 153.31 25.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.199 179.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 49.6 m-85 -101.27 125.56 47.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.856 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 59.2 t -113.57 143.23 23.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.126 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.512 ' NE ' ' O ' ' A' ' 81' ' ' ARG . 0.0 OUTLIER -156.1 147.13 22.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.837 -179.959 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 28.1 m -131.68 165.07 32.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.094 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.408 ' HE3' ' CG2' ' A' ' 85' ' ' VAL . 0.0 OUTLIER -158.67 170.71 21.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 179.908 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -94.5 143.38 26.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.074 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.408 ' CG2' ' HE3' ' A' ' 83' ' ' LYS . 86.7 t -138.89 123.73 21.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.109 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -143.99 168.79 19.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.952 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -53.62 -21.43 6.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.153 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -77.52 -56.85 4.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.132 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -179.68 -168.44 38.51 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.454 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -113.62 162.37 16.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.803 0.335 . . . . 0.0 111.107 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 64.5 p -112.52 154.72 25.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.891 -179.799 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -48.94 143.84 8.06 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.612 0.72 . . . . 0.0 110.878 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 139.77 40.79 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.64 2.227 . . . . 0.0 112.336 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 31.1 tptt -98.91 99.45 10.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 -80.92 124.59 29.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.914 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . 0.435 ' O ' ' C ' ' A' ' 97' ' ' SER . 2.3 t80 -67.53 127.15 31.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.943 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 96' ' ' TYR . 73.4 m -35.18 -73.72 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.901 -179.86 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . 0.425 ' O ' ' CD1' ' A' ' 96' ' ' TYR . 3.6 pt20 -101.99 151.76 38.07 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.571 0.7 . . . . 0.0 110.917 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 151.39 69.44 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.698 2.265 . . . . 0.0 112.368 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 4.7 mp -90.93 133.29 33.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.106 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.409 ' O ' ' N ' ' A' ' 103' ' ' LYS . 14.4 tp -109.25 102.19 11.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.924 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 7.2 p -57.43 85.49 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.113 179.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . 0.409 ' N ' ' O ' ' A' ' 101' ' ' LEU . 10.5 tptp -137.95 137.87 38.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 9.4 tm-20 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.846 179.992 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.249 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.7 m -105.45 164.56 11.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.779 0.323 . . . . 0.0 111.17 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 24.9 m -86.02 149.98 51.57 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.696 0.76 . . . . 0.0 110.851 -179.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 167.13 25.34 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.678 2.252 . . . . 0.0 112.341 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 128.02 15.48 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.687 2.258 . . . . 0.0 112.368 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 60.5 p -111.09 -175.15 2.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.108 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 29.4 mt 53.27 41.26 32.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -81.83 112.2 18.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.935 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 4.1 m -150.59 151.86 33.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.118 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 3.3 t -74.53 119.73 22.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.128 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 43.4 t0 -77.64 -49.91 13.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.863 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.4 t -148.79 162.64 39.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 -179.747 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 95.7 t -144.48 122.58 5.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.146 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 17.1 m -120.25 144.35 47.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.151 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -54.97 -17.83 4.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.835 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.4 m -96.8 -49.68 4.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.183 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 19.2 p -143.02 167.04 23.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.143 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.461 ' O ' ' CG2' ' A' ' 68' ' ' THR . 19.4 m -117.01 162.38 15.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.155 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 12.6 m -132.99 115.53 15.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.171 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 58.1 mmm -111.28 123.88 51.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.888 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 1.8 ptp180 -109.4 154.02 23.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.912 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 16.8 p90 -160.23 170.74 20.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.911 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 25.6 mtt180 -125.61 157.08 69.65 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.574 0.702 . . . . 0.0 110.911 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 165.53 30.6 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.666 2.244 . . . . 0.0 112.348 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.405 ' O ' ' C ' ' A' ' 32' ' ' ASP . 53.4 Cg_endo -69.81 141.73 45.81 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.643 2.229 . . . . 0.0 112.34 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.405 ' C ' ' O ' ' A' ' 31' ' ' PRO . 9.4 t70 -37.8 -46.9 0.97 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.907 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.415 ' CD2' ' C ' ' A' ' 33' ' ' HIS . 0.1 OUTLIER -128.21 163.81 23.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.807 -179.935 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 19.7 mm . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.178 179.948 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.254 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.489 HD22 ' CZ ' ' A' ' 42' ' ' TYR . 4.2 tp -85.4 126.54 33.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.763 0.316 . . . . 0.0 110.936 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -110.44 96.01 5.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.86 179.827 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.466 ' HA3' ' CD1' ' A' ' 61' ' ' LEU . . . 55.09 -160.33 5.71 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.504 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.489 ' CZ ' HD22 ' A' ' 39' ' ' LEU . 9.8 m-85 -145.35 -177.78 5.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.916 0.389 . . . . 0.0 110.927 -179.818 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 20.5 t -135.43 126.53 44.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.163 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 8.2 tt -123.07 132.92 54.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.928 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -140.65 159.93 41.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.875 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 4.7 p90 -139.61 134.95 32.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.929 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.401 ' HB2' ' CE3' ' A' ' 54' ' ' TRP . 27.3 t -101.55 115.94 31.65 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.859 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -70.06 136.23 50.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.401 ' HG3' ' N ' ' A' ' 50' ' ' GLY . 4.0 pt-20 -61.41 -29.13 69.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.887 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.401 ' N ' ' HG3' ' A' ' 49' ' ' GLU . . . -68.03 -13.54 64.47 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.486 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 51.3 p -128.36 -176.78 3.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.743 0.306 . . . . 0.0 111.161 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -128.79 30.78 5.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.879 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -136.57 153.12 51.06 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.835 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . 0.532 ' CH2' ' HG3' ' A' ' 81' ' ' ARG . 96.1 m95 -84.15 119.63 25.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 37.3 mt -93.33 135.08 29.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.093 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 93.4 t -74.56 123.51 30.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.158 179.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -92.15 -40.92 10.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.12 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 9.8 p-10 -103.25 122.39 44.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.2 ttmp? -54.89 -53.38 56.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.435 ' O ' ' C ' ' A' ' 61' ' ' LEU . 3.6 m-20 -129.04 165.71 20.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.891 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.466 ' CD1' ' HA3' ' A' ' 41' ' ' GLY . 1.6 pp -34.64 135.28 0.18 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.923 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 21.2 mt -86.3 105.34 14.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.148 179.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 -57.03 -53.7 55.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.875 179.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.4 mppt? -65.96 179.59 0.87 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.918 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 8.3 p -109.89 19.95 18.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.157 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 13.0 ttpp -146.92 140.24 25.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.909 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 24.0 t80 -135.36 154.62 51.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.461 ' CG2' ' O ' ' A' ' 24' ' ' VAL . 78.1 m -138.65 115.02 10.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.143 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 25.0 mt -72.22 107.63 3.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.167 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 8.9 p -84.01 138.11 33.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.139 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 83.87 71.31 1.32 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.439 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 13.1 mt -128.27 131.3 23.7 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.607 0.718 . . . . 0.0 110.903 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 133.55 25.73 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.68 2.253 . . . . 0.0 112.354 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 12.2 m -60.82 149.57 35.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.104 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.8 t70 58.97 36.89 24.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -115.48 138.04 51.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.107 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 55.5 mttp -99.15 130.35 45.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.911 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 2.4 pp -142.0 160.67 20.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.164 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 85.0 m-85 -100.41 175.88 5.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.864 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.494 ' O ' ' NE ' ' A' ' 81' ' ' ARG . 95.6 t -154.96 116.44 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.136 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.535 ' HD2' ' CD1' ' A' ' 95' ' ' TYR . 13.1 mmp_? -129.13 122.19 29.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.884 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 26.1 m -114.68 129.08 71.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.128 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 10.0 ptpt -118.82 174.41 6.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.85 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -106.86 129.27 54.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.098 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 61.9 t -115.96 127.44 73.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.165 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . 0.436 ' N ' ' ND2' ' A' ' 86' ' ' ASN . 0.2 OUTLIER -134.81 171.26 14.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.892 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -53.8 -40.56 66.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.129 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.68 -49.24 73.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.067 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -179.09 -122.16 0.75 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.529 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -156.02 153.79 30.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.773 0.321 . . . . 0.0 111.108 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 74.2 m -104.39 169.91 8.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.813 -179.762 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -62.89 142.68 97.4 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.621 0.724 . . . . 0.0 110.918 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 155.04 66.99 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.715 2.276 . . . . 0.0 112.362 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 9.4 tmtt? -87.71 115.86 25.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . 0.535 ' CD1' ' HD2' ' A' ' 81' ' ' ARG . 39.0 m-85 -91.0 105.41 17.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . 0.529 ' CD1' ' N ' ' A' ' 97' ' ' SER . 34.6 t80 -61.31 169.0 2.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.953 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' SER . . . . . 0.529 ' N ' ' CD1' ' A' ' 96' ' ' TYR . 35.5 t -66.25 -73.57 0.13 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.874 -179.804 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -114.28 161.45 28.28 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.63 0.729 . . . . 0.0 110.871 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 145.36 56.73 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.637 2.224 . . . . 0.0 112.359 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 4.0 mp -86.58 147.32 5.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.163 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 13.6 tp -119.04 115.87 25.21 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.45 ' O ' ' CG1' ' A' ' 102' ' ' VAL . 10.0 p -62.75 82.82 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.119 179.854 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 19.7 tptt -140.66 132.24 27.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.894 179.939 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.442 -0.263 . . . . 0.0 112.442 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.445 ' CG2' ' HA ' ' A' ' 34' ' ' ILE . 6.6 m -88.3 161.0 17.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.825 0.345 . . . . 0.0 111.131 -179.874 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -79.22 143.99 61.71 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.68 0.753 . . . . 0.0 110.831 -179.855 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 169.91 17.87 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.646 2.231 . . . . 0.0 112.336 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.85 114.36 3.69 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.664 2.243 . . . . 0.0 112.333 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 37.9 p -103.3 173.51 6.27 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.155 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 83.2 mt 54.18 52.87 11.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.853 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.401 ' HB2' ' NZ ' ' A' ' 94' ' ' LYS . 0.0 OUTLIER -80.77 109.01 14.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.924 179.863 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 69.0 m -135.42 156.89 48.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.145 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.8 t -80.23 133.4 29.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.132 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -85.91 -48.86 8.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.842 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.5 t -155.93 165.15 37.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.87 -179.791 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 58.9 t -148.72 128.33 3.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.095 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.3 m -142.14 135.56 29.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.202 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 56.7 m-20 -38.89 -34.05 0.14 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.882 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 82.5 p -73.01 -49.17 30.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.124 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 81.2 p -155.34 166.73 32.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.146 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 30.6 m -121.96 142.31 38.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.137 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 27.7 m -108.59 142.49 38.96 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.086 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 77.9 mmm -129.63 139.04 51.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 27.3 ptt180 -133.33 144.09 49.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.879 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 45.1 p90 -142.82 172.5 12.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.912 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.49 ' CD ' ' HD2' ' A' ' 30' ' ' PRO . 6.2 tpt180 -106.66 139.35 20.27 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.575 0.702 . . . . 0.0 110.878 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.49 ' HD2' ' CD ' ' A' ' 29' ' ' ARG . 53.3 Cg_endo -69.76 164.38 34.76 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.708 2.272 . . . . 0.0 112.354 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.427 ' HG2' ' CD1' ' A' ' 34' ' ' ILE . 54.2 Cg_endo -69.82 130.16 18.78 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.681 2.254 . . . . 0.0 112.356 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 31' ' ' PRO . 2.6 p30 -37.06 -43.64 0.49 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.851 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 89.8 m-70 -150.44 148.83 29.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.807 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.593 ' CD1' ' N ' ' A' ' 34' ' ' ILE . 0.7 OUTLIER . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.151 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 5.5 tp -120.14 131.27 54.96 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.823 0.344 . . . . 0.0 110.942 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.477 ' OD1' ' N ' ' A' ' 40' ' ' ASP . 0.4 OUTLIER -103.27 94.1 5.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.867 179.878 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.459 ' C ' ' CG ' ' A' ' 42' ' ' TYR . . . 33.8 -139.3 0.13 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.442 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.459 ' CG ' ' C ' ' A' ' 41' ' ' GLY . 0.2 OUTLIER -157.38 177.22 11.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.933 0.396 . . . . 0.0 110.893 -179.771 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 59.6 t -124.51 129.88 73.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.09 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 6.7 tt -128.9 130.34 46.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.917 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -136.01 145.52 46.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.907 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 13.5 p90 -122.97 139.37 54.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.943 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.519 ' HB2' ' CD2' ' A' ' 54' ' ' TRP . 48.6 t -110.72 115.46 29.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.911 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -76.92 134.43 38.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.902 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -54.44 99.41 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.853 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 130.62 39.13 0.28 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.477 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 43.4 p -151.7 173.47 14.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.758 0.313 . . . . 0.0 111.187 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -121.13 -0.22 10.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.89 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 15.4 p-10 -138.0 138.98 39.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.92 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . 0.519 ' CD2' ' HB2' ' A' ' 47' ' ' CYS . 69.1 m95 -70.44 133.92 47.3 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.941 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 5.0 mp -83.05 112.78 21.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.113 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 92.8 t -56.85 122.56 6.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.119 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -90.91 -60.13 1.99 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.134 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 24.9 p-10 -71.67 157.46 37.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.925 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 16.9 tttp -87.77 -53.06 4.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.846 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -122.19 -71.36 0.73 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.886 179.881 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 12.0 mt -151.88 148.83 28.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.978 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 43.1 mt -92.93 106.65 18.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.144 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -58.39 -60.87 3.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.856 179.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 31.2 mttp -75.76 162.25 28.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.954 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 29.8 p -87.32 37.03 0.76 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.131 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 22.1 ttmt -149.93 144.42 25.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 60.2 t80 -141.72 152.95 44.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.907 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 60.5 m -134.04 118.0 17.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.122 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 26.4 mt -75.95 118.17 21.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.145 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 55.5 p -93.88 138.69 31.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.092 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 77.2 75.49 0.92 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.522 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 22.3 mt -132.05 132.51 23.14 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.531 0.681 . . . . 0.0 110.926 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 147.2 62.18 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.697 2.265 . . . . 0.0 112.31 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.462 HG23 ' N ' ' A' ' 75' ' ' ASP . 24.8 m -69.86 160.33 31.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.164 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.462 ' N ' HG23 ' A' ' 74' ' ' THR . 0.6 OUTLIER 46.82 48.15 15.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.917 179.954 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -125.79 149.07 48.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.064 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.463 ' HE2' ' CD2' ' A' ' 101' ' ' LEU . 29.6 mttm -114.45 126.11 54.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.895 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 7.1 pt -132.87 152.79 36.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.136 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -101.56 145.49 28.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.918 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 60.7 t -116.54 138.44 47.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.128 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.657 ' CZ ' ' CZ ' ' A' ' 95' ' ' TYR . 31.8 mmm-85 -137.57 129.94 29.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 13.2 m -126.13 134.5 66.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.169 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.452 ' CD ' HG22 ' A' ' 85' ' ' VAL . 0.0 OUTLIER -134.56 145.87 49.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 179.964 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -81.59 141.0 34.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.144 179.782 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.452 HG22 ' CD ' ' A' ' 83' ' ' LYS . 77.0 t -141.02 126.39 18.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.121 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . 0.488 ' N ' ' ND2' ' A' ' 86' ' ' ASN . 0.3 OUTLIER -132.74 169.12 17.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.906 179.96 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -49.74 -34.63 19.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.127 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.1 -52.66 64.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.141 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -176.94 -110.98 0.28 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.453 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -152.14 169.16 23.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.797 0.332 . . . . 0.0 111.121 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.4 t -124.32 168.0 13.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.856 -179.774 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -68.35 141.86 93.99 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.65 0.738 . . . . 0.0 110.875 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.75 158.87 55.49 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.685 2.256 . . . . 0.0 112.365 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.401 ' NZ ' ' HB2' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -122.43 109.31 14.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 179.907 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . 0.657 ' CZ ' ' CZ ' ' A' ' 81' ' ' ARG . 44.4 m-85 -76.42 136.24 39.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . 0.586 ' CD1' ' N ' ' A' ' 97' ' ' SER . 35.7 t80 -74.65 162.83 28.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.945 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' SER . . . . . 0.586 ' N ' ' CD1' ' A' ' 96' ' ' TYR . 3.8 m -62.1 -75.35 0.07 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.868 -179.852 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . 0.431 ' O ' ' CD1' ' A' ' 96' ' ' TYR . 14.4 mm-40 -119.37 159.8 44.18 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.562 0.696 . . . . 0.0 110.915 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 137.28 35.14 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.687 2.258 . . . . 0.0 112.363 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 4.2 mp -80.66 134.38 27.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.13 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.471 ' O ' ' N ' ' A' ' 103' ' ' LYS . 0.1 OUTLIER -100.69 103.81 15.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.941 179.856 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 3.5 p -57.18 82.07 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.091 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . 0.471 ' N ' ' O ' ' A' ' 101' ' ' LEU . 13.7 tptm -143.94 134.61 24.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.939 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.9 179.998 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 16.8 p -85.63 154.73 21.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.789 0.328 . . . . 0.0 111.13 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.6 m -79.34 149.81 72.9 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.68 0.752 . . . . 0.0 110.868 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 157.69 59.56 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.751 2.301 . . . . 0.0 112.33 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 120.26 7.07 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.693 2.262 . . . . 0.0 112.324 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 69.4 p -101.92 -178.94 3.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.123 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 34.8 mt 56.1 49.54 15.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.925 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.424 ' CD1' ' CD2' ' A' ' 96' ' ' TYR . 2.1 tm? -82.84 112.5 19.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.887 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 4.8 t -148.28 157.6 43.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.153 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.41 HG12 ' CG2' ' A' ' 19' ' ' VAL . 4.5 t -82.51 112.49 20.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.146 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -61.88 -47.73 83.66 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.837 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 10.7 p -159.33 161.03 35.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.851 -179.761 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.41 ' CG2' HG12 ' A' ' 16' ' ' VAL . 24.1 t -138.23 134.13 44.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.148 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.413 ' O ' ' C ' ' A' ' 21' ' ' ASP . 1.6 m -145.94 132.56 19.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.129 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.413 ' C ' ' O ' ' A' ' 20' ' ' THR . 3.0 p-10 -37.6 -33.09 0.06 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.401 ' N ' ' O ' ' A' ' 20' ' ' THR . 38.9 p -71.53 -53.77 12.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.137 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 80.9 p -152.46 169.34 22.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.165 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 20.4 m -118.39 142.94 30.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.141 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 10.7 m -111.35 143.65 41.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.152 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 77.8 mmm -130.18 160.61 33.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.858 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 9.0 ptm180 -149.85 130.76 14.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.881 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.446 ' CZ3' HD13 ' A' ' 44' ' ' LEU . 30.1 p90 -132.76 165.98 23.28 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.855 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.489 ' CD ' ' HD2' ' A' ' 30' ' ' PRO . 5.1 tpt180 -114.89 139.77 24.64 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.569 0.699 . . . . 0.0 110.896 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.489 ' HD2' ' CD ' ' A' ' 29' ' ' ARG . 54.4 Cg_endo -69.7 167.69 23.65 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.651 2.234 . . . . 0.0 112.395 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 131.32 20.97 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.661 2.241 . . . . 0.0 112.374 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -40.25 -36.93 0.58 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.821 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 20.5 t60 -139.11 156.18 47.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.821 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 26.4 mm . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.165 179.963 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.404 ' O ' ' CB ' ' A' ' 86' ' ' ASN . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 8.9 tp -90.46 142.14 28.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.806 0.336 . . . . 0.0 110.904 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 81.1 m-20 -128.06 100.16 5.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.857 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 39.66 -160.77 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.48 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.493 ' N ' ' CD1' ' A' ' 42' ' ' TYR . 0.3 OUTLIER -142.88 155.53 44.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.919 0.39 . . . . 0.0 110.907 -179.776 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.415 HG11 ' NZ ' ' A' ' 83' ' ' LYS . 81.2 t -118.89 133.69 64.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.088 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.446 HD13 ' CZ3' ' A' ' 28' ' ' TRP . 7.4 tt -128.95 133.16 47.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.963 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.413 ' OE1' ' N ' ' A' ' 45' ' ' GLU . 1.6 mp0 -134.48 153.07 52.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.839 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 9.5 p90 -132.61 131.8 41.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.926 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.487 ' HB2' ' CD2' ' A' ' 54' ' ' TRP . 47.2 t -105.13 104.71 14.5 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.886 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -49.41 174.37 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.928 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -77.83 131.68 37.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.923 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 82.39 -27.71 3.59 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.452 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -65.14 119.23 10.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.726 0.298 . . . . 0.0 111.119 -179.829 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -86.21 16.78 4.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.935 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -139.04 129.45 25.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.884 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . 0.599 ' CE2' ' CZ ' ' A' ' 81' ' ' ARG . 75.5 m95 -68.08 151.62 46.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.957 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 18.2 mt -124.5 115.57 44.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.104 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 31.9 t -72.33 134.16 30.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.142 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.47 ' HB3' ' CZ ' ' A' ' 67' ' ' PHE . . . -85.62 -43.84 13.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.121 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 21.6 p-10 -83.72 -176.4 6.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.858 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -113.91 -45.44 3.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.94 179.856 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -120.9 -63.61 1.32 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.89 179.861 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 85.8 mt -153.86 -178.0 6.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.916 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 36.5 mt -128.05 106.97 15.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.164 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -86.27 47.47 1.47 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 179.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 30.2 mttm -159.58 157.04 29.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.941 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 15.5 p -90.75 19.62 5.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.127 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 12.7 mtmm -151.78 160.3 43.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.859 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.47 ' CZ ' ' HB3' ' A' ' 57' ' ' ALA . 12.2 t80 -155.58 143.56 19.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.88 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 92.5 m -126.99 112.09 14.84 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.136 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 55.5 mt -66.26 108.87 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.161 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 29.0 p -83.77 131.9 34.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.105 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 84.36 84.27 0.96 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.481 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 6.2 mt -137.71 127.79 15.44 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.597 0.713 . . . . 0.0 110.917 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 128.76 16.47 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.635 2.223 . . . . 0.0 112.345 179.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 54.2 m -54.57 149.85 10.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.127 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 9.6 t70 60.7 32.94 20.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.884 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -112.62 141.76 46.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.091 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.1 mmmm -109.97 131.64 54.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.404 HD11 ' C ' ' A' ' 78' ' ' ILE . 2.4 pp -139.47 159.31 28.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.11 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 92.7 m-85 -108.36 132.0 54.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.865 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 55.2 t -110.99 138.09 40.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.123 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.599 ' CZ ' ' CE2' ' A' ' 54' ' ' TRP . 19.1 ptt180 -153.3 139.31 18.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.892 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 7.5 m -127.53 156.46 39.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.109 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.415 ' NZ ' HG11 ' A' ' 43' ' ' VAL . 0.0 OUTLIER -156.08 133.22 10.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.894 179.909 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -59.47 148.51 32.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.122 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 57.3 t -139.25 118.15 12.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.121 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . 0.404 ' CB ' ' O ' ' A' ' 38' ' ' GLY . 0.2 OUTLIER -128.98 179.0 5.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.904 179.953 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -48.78 -40.64 29.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.065 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.25 -57.08 11.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.106 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -178.91 -114.2 0.41 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.497 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -156.95 172.2 19.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.819 0.343 . . . . 0.0 111.124 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 25.5 m -105.46 169.18 8.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.85 -179.777 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -57.82 142.84 78.06 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.606 0.717 . . . . 0.0 110.873 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 127.74 14.97 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.671 2.248 . . . . 0.0 112.311 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 4.8 tmtm? -83.68 101.62 11.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.898 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -83.42 115.38 22.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.936 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . 0.424 ' CD2' ' CD1' ' A' ' 14' ' ' LEU . 0.2 OUTLIER -65.45 119.22 10.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.95 -179.898 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 96' ' ' TYR . 57.3 p -36.38 -63.74 0.37 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.83 -179.829 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -106.34 140.61 21.46 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.625 0.726 . . . . 0.0 110.915 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 164.37 34.84 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.675 2.25 . . . . 0.0 112.301 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 10.3 mt -98.2 144.84 10.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.098 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.9 tp -117.9 106.41 12.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.925 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 1.6 p -65.64 90.83 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.126 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 7.1 tptm -142.13 138.38 31.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.856 179.991 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.405 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 1' ' ' GLY . 37.7 t -37.48 123.98 1.0 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.856 0.36 . . . . 0.0 110.866 -179.782 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.1 t -123.15 123.52 41.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.893 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 132.77 107.29 1.04 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.469 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.1 m -115.52 176.16 5.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.895 0.379 . . . . 0.0 110.881 -179.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 92.5 p -62.38 115.85 4.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.889 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -82.67 7.74 64.52 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.478 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.1 m -90.86 172.33 8.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.778 0.323 . . . . 0.0 111.194 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -99.64 143.69 26.91 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.644 0.735 . . . . 0.0 110.876 -179.857 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 167.64 23.9 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.663 2.242 . . . . 0.0 112.342 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.454 ' CD ' ' HA ' ' A' ' 83' ' ' LYS . 54.2 Cg_endo -69.71 120.61 7.38 Favored 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 122.686 2.257 . . . . 0.0 112.348 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 64.0 p -107.91 -177.25 3.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.159 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 29.9 mt 50.83 50.15 19.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.911 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.576 ' CD1' ' CD2' ' A' ' 96' ' ' TYR . 2.6 tm? -85.8 113.96 22.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.924 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.493 ' CG2' ' N ' ' A' ' 16' ' ' VAL . 3.5 m -147.38 157.69 43.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.154 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.493 ' N ' ' CG2' ' A' ' 15' ' ' THR . 4.7 t -81.45 127.34 39.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.143 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 37.9 t0 -81.79 -56.39 4.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.86 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 7.9 t -146.43 157.12 43.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.882 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 91.7 t -133.13 139.54 49.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.143 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.446 ' O ' ' N ' ' A' ' 22' ' ' THR . 0.7 OUTLIER -142.88 131.72 22.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.134 -179.918 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -41.42 -24.82 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.834 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.446 ' N ' ' O ' ' A' ' 20' ' ' THR . 5.7 p -83.91 -53.4 5.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.171 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 6.5 p -145.12 168.95 19.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.104 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 16.2 m -119.71 144.66 27.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.12 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 54.4 m -109.91 138.08 46.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.172 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 92.2 mmm -133.97 129.91 36.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.91 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 15.9 ptm180 -117.76 156.81 27.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.847 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 16.1 p90 -156.62 161.95 39.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -108.82 149.79 39.99 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.598 0.713 . . . . 0.0 110.894 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 165.71 30.07 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.691 2.26 . . . . 0.0 112.354 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 152.89 69.5 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.66 2.24 . . . . 0.0 112.373 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 69.4 m-20 -56.98 -30.35 64.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.855 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 76.7 m-70 -145.91 169.66 18.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.866 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 6.2 mm -123.97 137.02 58.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.129 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -60.62 154.43 35.02 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.514 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -46.74 -61.2 1.95 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.799 0.333 . . . . 0.0 111.088 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -42.3 -46.92 4.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.091 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 119.7 146.04 7.67 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.492 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.0 tp -82.49 130.28 35.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.78 0.324 . . . . 0.0 110.952 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -109.58 94.38 5.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 42.07 -158.04 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.475 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -143.17 171.65 13.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.927 0.394 . . . . 0.0 110.924 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 49.0 t -132.78 138.77 51.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.155 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.3 tt -129.92 129.59 44.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.927 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.449 ' OE1' ' C ' ' A' ' 55' ' ' ILE . 5.7 mm-40 -125.13 161.76 26.12 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.905 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 12.4 p90 -149.58 133.51 17.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.931 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.46 ' HB2' ' CD2' ' A' ' 54' ' ' TRP . 1.2 t -106.91 130.77 54.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.866 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -87.29 136.15 33.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.873 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -57.4 140.61 49.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.887 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 93.55 -3.62 71.93 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.496 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 15.3 p -115.59 178.34 4.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.746 0.308 . . . . 0.0 111.148 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.45 ' N ' ' CD ' ' A' ' 52' ' ' GLU . 0.4 OUTLIER -129.04 3.29 5.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.913 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -127.79 141.91 51.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.933 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . 0.506 ' CH2' ' HD3' ' A' ' 81' ' ' ARG . 43.9 m95 -82.19 153.85 25.77 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.908 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.449 ' C ' ' OE1' ' A' ' 45' ' ' GLU . 47.5 mt -112.27 120.42 62.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.163 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.418 ' HA ' ' CD ' ' A' ' 45' ' ' GLU . 58.2 t -56.53 146.93 5.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.167 179.821 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.46 ' HB1' ' CZ ' ' A' ' 67' ' ' PHE . . . -116.65 -53.13 2.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.105 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -77.95 134.35 37.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.894 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 46.0 tttt -67.99 -65.49 0.69 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.831 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -113.15 -72.25 0.71 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.885 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 13.2 mt -146.99 140.64 25.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.903 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 54.3 mt -86.1 104.69 13.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.135 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 27.5 m-20 -66.12 -60.1 3.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.852 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 26.6 mmtp -67.63 169.02 10.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.932 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 11.1 p -91.89 8.64 36.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.146 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 38.6 mtpt -124.7 152.64 43.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.918 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.46 ' CZ ' ' HB1' ' A' ' 57' ' ' ALA . 58.6 t80 -148.57 145.89 28.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.908 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 55.1 m -131.41 125.48 32.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.116 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 27.8 mt -82.53 106.38 13.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.124 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 37.9 p -82.19 150.0 27.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.157 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 71.19 75.77 0.61 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.46 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 27.6 mt -134.77 133.67 21.39 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.638 0.733 . . . . 0.0 110.893 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 129.59 17.92 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.734 2.289 . . . . 0.0 112.323 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 10.1 m -57.52 143.33 41.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.176 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 35.5 t70 64.88 41.26 4.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.878 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -123.74 132.02 53.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.093 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 72.3 mttt -94.94 125.25 39.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.849 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 11.7 pt -129.66 148.16 33.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.098 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -98.6 127.2 44.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.866 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 53.5 t -106.14 139.07 28.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.162 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.506 ' HD3' ' CH2' ' A' ' 54' ' ' TRP . 24.6 ptt85 -148.96 132.29 16.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.877 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 19.1 m -126.56 160.95 33.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.119 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.454 ' HA ' ' CD ' ' A' ' 11' ' ' PRO . 0.0 OUTLIER -155.53 170.86 20.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 179.928 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.4 ' N ' ' HD3' ' A' ' 11' ' ' PRO . . . -95.08 135.24 36.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.12 179.829 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 55.4 t -126.46 109.8 21.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.092 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . 0.73 ' N ' HD21 ' A' ' 86' ' ' ASN . 0.5 OUTLIER -117.6 160.85 20.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.89 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -55.01 -14.37 1.48 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.124 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -85.11 -35.94 21.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.135 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 173.18 -125.77 1.18 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.508 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -157.01 159.64 38.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.821 0.343 . . . . 0.0 111.071 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.0 t -105.88 166.42 10.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.855 -179.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -61.97 143.65 94.48 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.603 0.716 . . . . 0.0 110.866 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 145.98 58.59 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.663 2.242 . . . . 0.0 112.343 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 19.4 tptp -98.38 123.51 42.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.88 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 68.5 m-85 -102.38 112.88 25.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.987 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . 0.576 ' CD2' ' CD1' ' A' ' 14' ' ' LEU . 0.3 OUTLIER -63.8 117.79 7.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.932 -179.864 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' SER . . . . . 0.438 ' C ' ' O ' ' A' ' 96' ' ' TYR . 1.4 t -34.63 -55.88 0.54 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.867 -179.814 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 11.3 mm100 -113.16 146.87 36.11 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.566 0.698 . . . . 0.0 110.947 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 162.02 43.7 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.684 2.256 . . . . 0.0 112.324 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.433 ' N ' ' CD1' ' A' ' 100' ' ' ILE . 3.0 mp -107.3 113.16 42.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.136 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 14.0 tp -84.99 129.44 34.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.41 ' O ' ' CG1' ' A' ' 102' ' ' VAL . 11.2 p -78.37 67.3 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.092 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 21.4 tptt -130.84 138.67 49.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.95 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 13.5 tm-20 -62.4 150.27 40.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.934 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 78.6 p -161.5 134.04 6.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.84 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -120.6 179.29 16.42 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.467 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.72 144.71 55.09 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.668 2.245 . . . . 0.0 112.344 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 14.6 m -132.37 105.96 7.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.868 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 47.1 t -51.56 138.16 23.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.89 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.499 -179.992 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.261 0 N-CA-C 112.438 -0.265 . . . . 0.0 112.438 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.435 ' O ' ' C ' ' A' ' 3' ' ' SER . 1.3 t -155.65 174.05 15.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.814 0.34 . . . . 0.0 110.896 -179.771 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 2' ' ' SER . 47.7 m -35.5 152.68 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.853 -179.802 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 133.79 -89.13 0.25 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.512 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 79.3 p -57.55 171.46 0.44 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.888 0.375 . . . . 0.0 110.856 -179.72 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.0 p -92.62 -175.42 3.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.85 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -102.82 -47.25 1.39 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.477 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.405 ' CG2' ' N ' ' A' ' 9' ' ' SER . 87.8 m -92.05 159.64 15.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.79 0.328 . . . . 0.0 111.142 -179.867 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.405 ' N ' ' CG2' ' A' ' 8' ' ' THR . 1.8 m -80.93 146.55 59.64 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.605 0.717 . . . . 0.0 110.85 -179.846 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 169.96 17.7 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.669 2.246 . . . . 0.0 112.338 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 124.83 11.47 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.653 2.235 . . . . 0.0 112.345 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 82.4 p -105.53 167.15 9.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.145 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 38.3 mt 57.88 49.42 11.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.924 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -81.16 109.04 15.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.902 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.485 ' CG2' ' N ' ' A' ' 16' ' ' VAL . 4.4 m -141.29 157.32 45.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.153 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.485 ' N ' ' CG2' ' A' ' 15' ' ' THR . 16.6 t -74.89 133.58 31.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.158 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -88.55 -52.48 5.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.2 t -139.93 171.7 13.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.845 -179.757 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 53.2 t -157.95 127.83 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.113 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.429 ' O ' ' CG2' ' A' ' 102' ' ' VAL . 3.4 m -140.01 150.1 44.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.154 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -58.63 -11.44 3.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.883 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 14.8 p -100.61 -50.61 3.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.129 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 18.4 p -143.87 167.09 23.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.146 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.466 ' CG2' HD13 ' A' ' 69' ' ' ILE . 34.2 m -123.74 151.54 28.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.138 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 85.2 m -121.6 141.95 50.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.134 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 88.4 mmm -131.89 143.63 50.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 4.7 ptm180 -132.44 155.51 48.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.827 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 43.2 p90 -164.03 159.87 21.11 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.474 ' HA ' ' NE ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -101.32 145.73 30.95 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.616 0.722 . . . . 0.0 110.855 -179.936 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 169.99 17.68 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.653 2.235 . . . . 0.0 112.357 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.428 ' O ' ' C ' ' A' ' 32' ' ' ASP . 53.7 Cg_endo -69.71 126.0 12.83 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.678 2.252 . . . . 0.0 112.347 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.428 ' C ' ' O ' ' A' ' 31' ' ' PRO . 16.0 t70 -35.9 -37.64 0.11 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.853 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 6.9 t60 -146.26 155.78 42.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.45 ' O ' ' C ' ' A' ' 35' ' ' GLY . 39.6 mm -95.52 103.86 15.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.176 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.45 ' C ' ' O ' ' A' ' 34' ' ' ILE . . . -34.32 -81.36 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.473 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -160.68 170.89 19.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.753 0.311 . . . . 0.0 111.108 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.434 ' CB ' ' HB2' ' A' ' 87' ' ' ALA . . . 58.82 25.05 13.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.103 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 58.87 174.33 0.56 Allowed Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.506 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 6.3 tp -108.88 123.4 49.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.828 0.347 . . . . 0.0 110.957 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.447 ' O ' ' C ' ' A' ' 41' ' ' GLY . 3.6 m-20 -98.85 94.53 6.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.872 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.447 ' C ' ' O ' ' A' ' 40' ' ' ASP . . . 34.25 -147.51 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.515 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -150.79 177.39 10.14 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.959 0.409 . . . . 0.0 110.886 -179.77 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 74.8 t -130.99 130.14 63.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.124 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.3 tt -128.6 132.28 48.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.973 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -133.17 177.47 7.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.904 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.46 ' CE1' HG23 ' A' ' 55' ' ' ILE . 23.6 p90 -153.78 128.4 9.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 -179.845 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 41.0 t -104.63 105.73 15.94 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.904 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -54.01 174.73 0.05 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.845 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -94.62 16.86 14.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.925 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -140.39 30.45 2.32 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.497 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 9.2 p -149.76 164.29 35.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.778 0.323 . . . . 0.0 111.148 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -115.62 18.08 15.98 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.896 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -135.78 155.37 50.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.819 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . 0.606 ' CD1' ' NH2' ' A' ' 81' ' ' ARG . 85.4 m95 -88.75 128.84 35.63 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.946 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.46 HG23 ' CE1' ' A' ' 46' ' ' TYR . 24.5 mt -90.22 128.37 42.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.109 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 77.4 t -72.06 115.3 12.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.152 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -80.56 -57.78 3.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.114 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.424 ' HB3' ' CE1' ' A' ' 67' ' ' PHE . 9.2 p-10 -95.83 114.26 25.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 4.0 tmtm? -56.19 -47.33 78.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.889 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -110.39 158.62 18.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.833 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 18.5 mt -46.97 144.39 2.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.934 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 16.7 mt -91.7 132.85 35.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.107 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -94.48 -36.99 11.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 5.0 pttt -84.98 146.69 27.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.849 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 39.0 p -75.84 -3.91 37.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.115 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 19.0 ttmt -114.5 137.83 51.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.866 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.424 ' CE1' ' HB3' ' A' ' 58' ' ' ASN . 46.2 t80 -141.23 156.55 45.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.895 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.455 ' CG2' ' O ' ' A' ' 24' ' ' VAL . 41.0 m -144.97 118.25 8.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.142 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.466 HD13 ' CG2' ' A' ' 24' ' ' VAL . 16.7 mt -70.6 147.4 11.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.131 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 28.7 p -121.4 141.22 51.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.132 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 80.28 70.24 1.35 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.51 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 14.0 mt -131.34 132.97 23.94 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.597 0.713 . . . . 0.0 110.903 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 128.32 15.89 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.68 2.254 . . . . 0.0 112.385 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 18.0 m -54.45 142.72 26.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.144 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 23.4 t70 61.45 50.48 4.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.822 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.425 ' C ' HD12 ' A' ' 101' ' ' LEU . . . -127.88 135.45 50.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.108 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 78.9 mttt -92.17 129.57 38.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.935 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 2.8 pp -141.82 154.96 19.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.13 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.559 ' CE1' ' HB3' ' A' ' 99' ' ' PRO . 40.4 m-85 -103.81 143.49 32.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.862 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 57.9 t -125.85 129.52 72.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.143 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.606 ' NH2' ' CD1' ' A' ' 54' ' ' TRP . 30.6 ptt180 -140.23 130.86 25.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.864 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 33.1 m -120.14 152.03 22.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.116 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 28.7 pttt -150.71 159.32 44.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -98.37 129.78 45.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.112 179.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 89.7 t -119.92 120.92 64.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.16 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . 0.567 ' N ' ' ND2' ' A' ' 86' ' ' ASN . 0.0 OUTLIER -128.29 176.19 7.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.434 ' HB2' ' CB ' ' A' ' 37' ' ' ALA . . . -44.94 -52.14 9.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.108 179.846 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -49.24 -41.5 37.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.083 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 162.04 -144.06 9.37 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.521 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -118.52 162.82 17.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.773 0.32 . . . . 0.0 111.061 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 2.2 m -105.29 159.01 16.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.849 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -59.39 143.5 85.48 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.633 0.73 . . . . 0.0 110.877 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.83 152.79 69.03 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.691 2.261 . . . . 0.0 112.36 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 5.5 tmtm? -116.5 113.15 22.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.922 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -94.58 115.27 27.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.905 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . 0.5 ' CD1' ' N ' ' A' ' 97' ' ' SER . 37.5 t80 -57.33 167.45 0.95 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.894 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' SER . . . . . 0.5 ' N ' ' CD1' ' A' ' 96' ' ' TYR . 25.8 t -63.37 -72.64 0.13 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.819 -179.847 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 73.1 mt-30 -109.58 153.12 43.05 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.591 0.71 . . . . 0.0 110.935 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . 0.559 ' HB3' ' CE1' ' A' ' 79' ' ' PHE . 53.8 Cg_endo -69.82 127.78 15.03 Favored 'Trans proline' 0 N--CA 1.465 -0.168 0 C-N-CA 122.687 2.258 . . . . 0.0 112.369 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 4.4 mp -68.98 131.75 33.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.09 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.425 HD12 ' C ' ' A' ' 76' ' ' ALA . 12.2 tp -108.03 95.7 5.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.931 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.429 ' CG2' ' O ' ' A' ' 20' ' ' THR . 4.7 p -41.6 102.61 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.143 179.804 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . 0.423 ' HG3' ' N ' ' A' ' 104' ' ' GLU . 26.6 tptp -142.97 154.1 43.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.423 ' N ' ' HG3' ' A' ' 103' ' ' LYS . 4.0 tm-20 -91.71 151.35 20.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.857 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' SER . . . . . 0.404 ' N ' ' HG2' ' A' ' 104' ' ' GLU . 9.8 m -169.24 112.81 0.53 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.835 -179.774 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -63.83 164.42 31.37 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.503 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 112.9 3.21 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.662 2.241 . . . . 0.0 112.327 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 15.8 t -90.95 119.39 31.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.862 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 96.3 p -107.91 164.75 12.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.883 -179.788 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.46 -179.997 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 95.0 p -114.04 125.36 53.9 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.856 0.36 . . . . 0.0 110.853 -179.74 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 73.0 p -46.56 -51.01 16.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.856 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 125.05 88.33 0.75 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.492 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.2 m -136.77 165.32 26.2 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.872 0.368 . . . . 0.0 110.865 -179.722 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 87.1 p -148.82 140.84 23.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.84 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -77.63 1.59 66.36 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.526 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -111.34 148.9 31.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.793 0.33 . . . . 0.0 111.159 -179.86 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.3 m -78.26 149.9 76.51 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.684 0.754 . . . . 0.0 110.858 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 168.08 22.64 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.668 2.246 . . . . 0.0 112.319 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 136.15 32.28 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.686 2.258 . . . . 0.0 112.341 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 41.2 p -127.18 169.05 13.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.096 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 28.4 mt 61.63 50.95 4.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.893 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -92.85 117.48 30.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.9 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.42 ' CG2' ' N ' ' A' ' 16' ' ' VAL . 4.4 m -148.08 153.28 38.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.171 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.42 ' N ' ' CG2' ' A' ' 15' ' ' THR . 5.9 t -81.62 105.41 11.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.124 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -61.24 -65.98 0.61 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.0 m -123.47 174.89 7.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.857 -179.778 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.407 ' CG2' HG13 ' A' ' 16' ' ' VAL . 39.0 t -158.35 129.08 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.156 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -127.64 151.24 49.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.146 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 15.7 p-10 -65.93 -5.34 9.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.833 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 12.8 p -110.43 -29.31 8.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.129 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 21.9 p -158.84 167.89 28.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.123 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.44 ' O ' ' CG2' ' A' ' 68' ' ' THR . 20.1 m -118.85 165.57 14.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.117 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 89.8 m -133.91 117.51 16.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.148 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 81.3 mmm -115.71 118.19 32.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.862 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.413 ' HD3' ' C ' ' A' ' 27' ' ' ARG . 0.0 OUTLIER -109.36 154.22 22.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.847 -179.943 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 40.6 p90 -158.27 170.08 23.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 25.1 mtp180 -121.68 161.43 41.87 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.594 0.711 . . . . 0.0 110.88 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 165.67 30.1 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.684 2.256 . . . . 0.0 112.35 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 175.29 8.31 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.668 2.245 . . . . 0.0 112.331 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -48.09 -40.15 22.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.908 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 5.0 t60 -173.54 156.21 2.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.879 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 26.3 mm -105.11 131.37 54.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.113 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -148.15 -42.47 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.46 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.21 99.87 0.3 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.784 0.326 . . . . 0.0 111.082 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . 40.87 33.88 0.24 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.123 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 67.78 -161.36 49.22 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.488 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.4 tp -133.69 137.51 45.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.809 0.337 . . . . 0.0 110.916 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -124.39 96.15 4.8 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 179.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.44 ' C ' ' CD1' ' A' ' 42' ' ' TYR . . . 44.9 -168.36 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.493 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.592 ' N ' ' CD1' ' A' ' 42' ' ' TYR . 0.1 OUTLIER -139.69 171.64 13.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.938 0.399 . . . . 0.0 110.892 -179.777 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 94.3 t -114.35 133.46 60.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.137 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 6.0 tt -136.2 134.17 37.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.919 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -141.93 163.62 32.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.496 ' CE1' HG23 ' A' ' 55' ' ' ILE . 27.4 p90 -136.11 137.43 41.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 -179.839 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.492 ' HB2' ' CD2' ' A' ' 54' ' ' TRP . 46.8 t -108.28 121.8 45.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.864 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -83.92 144.1 29.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.905 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -60.09 106.52 0.52 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.863 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 107.56 40.4 1.76 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.501 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 26.2 p -124.7 171.51 10.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.78 0.324 . . . . 0.0 111.136 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 69.7 mm-40 -104.82 -36.58 7.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.911 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -135.64 144.06 45.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.86 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . 0.504 ' CH2' ' CD ' ' A' ' 81' ' ' ARG . 54.6 m95 -52.23 151.76 3.71 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.96 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.496 HG23 ' CE1' ' A' ' 46' ' ' TYR . 5.2 mp -100.03 112.24 32.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.147 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 91.8 t -53.38 116.91 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.144 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -81.6 -63.38 1.41 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.111 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 9.3 p-10 -76.85 157.46 31.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.899 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 9.7 mmtp -79.93 -63.05 1.5 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.923 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -114.36 -66.91 1.04 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 12.9 mt -149.86 168.55 23.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.887 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 24.2 mt -111.79 103.8 16.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.155 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -56.12 -62.91 1.39 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.432 ' HA ' ' CE ' ' A' ' 64' ' ' LYS . 2.5 mmpt? -74.05 161.77 29.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.878 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -81.18 13.1 3.0 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.13 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 10.5 mmtm -122.86 160.28 26.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.88 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 22.9 t80 -163.03 145.7 10.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.44 ' CG2' ' O ' ' A' ' 24' ' ' VAL . 61.5 m -132.47 132.58 42.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.126 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 65.0 mt -86.41 134.15 28.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.139 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 65.5 p -111.52 129.33 56.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.141 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 94.83 69.62 1.07 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.493 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 15.2 mt -130.11 126.45 22.34 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.532 0.682 . . . . 0.0 110.964 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.457 ' O ' ' CB ' ' A' ' 76' ' ' ALA . 53.3 Cg_endo -69.78 130.99 20.28 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.696 2.264 . . . . 0.0 112.281 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.437 ' O ' ' CG ' ' A' ' 75' ' ' ASP . 57.7 m -49.46 156.81 0.58 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.106 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.437 ' CG ' ' O ' ' A' ' 74' ' ' THR . 0.9 OUTLIER 46.63 41.38 9.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.831 179.897 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.457 ' CB ' ' O ' ' A' ' 73' ' ' PRO . . . -120.38 127.33 52.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.09 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 66.9 mttt -93.49 133.51 36.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.89 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 17.3 pt -137.4 156.45 33.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.154 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -98.04 154.36 17.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 73.2 t -136.01 136.18 49.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.14 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.504 ' CD ' ' CH2' ' A' ' 54' ' ' TRP . 5.4 ptm180 -153.44 133.5 13.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.876 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 10.0 m -125.14 164.17 24.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.091 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 8.6 pttm -154.42 171.81 18.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.865 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -105.16 101.76 11.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.144 179.782 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 40.7 t -104.39 108.91 25.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.155 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . 0.434 ' ND2' ' N ' ' A' ' 86' ' ' ASN . 0.0 OUTLIER -125.51 -179.59 4.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -51.12 -42.18 60.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.1 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -57.97 -48.13 80.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.113 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 171.27 -133.46 2.76 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.502 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -136.62 155.94 49.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.786 0.327 . . . . 0.0 111.072 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.3 t -109.28 157.93 18.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -52.04 142.7 26.12 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.671 0.748 . . . . 0.0 110.839 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 153.85 68.61 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.71 2.274 . . . . 0.0 112.336 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 4.9 tppt? -104.01 99.27 9.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.937 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 63.5 m-85 -81.82 117.31 22.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.927 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . 0.424 ' O ' ' C ' ' A' ' 97' ' ' SER . 1.2 t80 -71.32 122.23 19.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.91 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' SER . . . . . 0.424 ' C ' ' O ' ' A' ' 96' ' ' TYR . 32.8 m -36.4 -70.15 0.1 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.829 -179.824 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -102.81 154.16 37.71 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.562 0.696 . . . . 0.0 110.907 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 162.63 41.33 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.694 2.263 . . . . 0.0 112.345 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.514 ' N ' ' CD1' ' A' ' 100' ' ' ILE . 1.9 mp -101.85 134.6 41.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.116 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 19.8 tp -100.97 141.49 33.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.911 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 5.5 p -100.1 76.62 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.099 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 10.2 tptm -133.8 139.11 46.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.936 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 10.1 tm-20 -75.34 163.0 27.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.885 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 29.4 t -98.56 -69.33 0.76 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.801 -179.76 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 141.73 -92.61 0.18 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.49 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 160.21 50.55 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.691 2.261 . . . . 0.0 112.335 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 12.1 t 65.81 36.61 6.06 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.849 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 1.4 t -94.54 31.76 1.71 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.859 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.481 -179.971 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 61.7 m -148.13 116.49 6.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.872 0.368 . . . . 0.0 110.861 -179.688 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 76.0 p -50.69 117.89 2.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.874 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -76.55 128.06 9.03 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.508 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 72.6 m -93.92 108.79 20.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.871 0.367 . . . . 0.0 110.846 -179.693 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 79.7 p -46.59 109.48 0.2 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.829 -179.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -89.26 44.1 3.07 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.486 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.426 ' HG1' ' ND2' ' A' ' 86' ' ' ASN . 0.8 OUTLIER -133.49 164.0 28.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.786 0.326 . . . . 0.0 111.135 -179.85 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -92.5 143.75 27.72 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.623 0.725 . . . . 0.0 110.883 -179.863 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 168.68 20.83 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.669 2.246 . . . . 0.0 112.331 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 122.69 9.36 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.645 2.23 . . . . 0.0 112.336 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 64.0 p -110.69 -175.42 2.71 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.154 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 33.5 mt 50.72 40.47 24.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.458 ' CD1' ' C ' ' A' ' 14' ' ' LEU . 3.0 tm? -86.92 109.81 19.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.913 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.46 ' CG2' ' N ' ' A' ' 16' ' ' VAL . 4.5 m -142.87 155.84 44.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.17 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.46 ' N ' ' CG2' ' A' ' 15' ' ' THR . 5.3 t -77.13 94.73 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.131 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -51.67 -62.15 1.8 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 4.7 m -141.04 164.63 29.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 46.6 t -144.32 133.43 18.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.141 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.456 ' O ' ' N ' ' A' ' 22' ' ' THR . 1.3 m -128.28 131.14 48.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.114 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -38.67 -28.0 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.866 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.456 ' N ' ' O ' ' A' ' 20' ' ' THR . 1.2 p -88.02 -57.33 2.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.143 -179.89 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 22.3 p -133.47 158.09 43.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.161 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 31.8 m -111.59 147.97 15.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.124 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.426 ' CG2' ' HE2' ' A' ' 66' ' ' LYS . 13.7 m -113.67 142.26 46.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.137 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 96.4 mmm -133.68 146.15 50.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.936 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 7.7 ptt180 -129.43 152.53 48.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.847 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 16.8 p90 -160.04 171.09 19.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.948 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 22.9 mtt180 -132.72 154.21 81.37 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.596 0.712 . . . . 0.0 110.847 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.84 169.95 17.82 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.669 2.246 . . . . 0.0 112.326 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 153.95 68.42 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.729 2.286 . . . . 0.0 112.346 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.493 ' O ' ' CG ' ' A' ' 33' ' ' HIS . 19.3 t0 -40.33 -41.72 1.41 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.825 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.493 ' CG ' ' O ' ' A' ' 32' ' ' ASP . 55.4 m-70 -166.49 171.46 11.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.879 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 3.1 mm -107.19 137.23 39.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.105 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.419 ' O ' ' C ' ' A' ' 36' ' ' ALA . . . -81.25 64.12 4.21 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.485 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.419 ' C ' ' O ' ' A' ' 35' ' ' GLY . . . 35.55 38.84 0.05 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.798 0.332 . . . . 0.0 111.135 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -116.29 -40.41 3.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.087 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 103.55 109.51 3.37 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.478 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 6.4 tp -82.33 128.41 34.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.8 0.333 . . . . 0.0 110.889 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.425 ' O ' ' C ' ' A' ' 41' ' ' GLY . 15.3 m-20 -104.93 95.36 5.81 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.87 179.822 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.444 ' C ' ' CG ' ' A' ' 42' ' ' TYR . . . 35.35 -140.83 0.16 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.494 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.444 ' CG ' ' C ' ' A' ' 41' ' ' GLY . 1.1 m-85 -157.09 168.49 27.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.89 0.376 . . . . 0.0 110.949 -179.824 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 91.1 t -127.51 130.27 70.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.113 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 5.3 tt -124.14 141.69 51.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.872 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 78.6 mt-10 -145.76 155.13 42.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 13.5 p90 -130.54 129.25 42.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.901 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.481 ' HB2' ' CD2' ' A' ' 54' ' ' TRP . 41.6 t -101.94 100.47 10.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.911 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 5.9 t80 -55.76 164.7 1.05 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -75.68 -31.62 59.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.926 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -99.41 42.55 1.98 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.47 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 2.2 p -142.45 165.96 25.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.754 0.311 . . . . 0.0 111.125 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -108.08 -38.49 5.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.904 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -112.31 151.15 30.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.894 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . 0.481 ' CD2' ' HB2' ' A' ' 47' ' ' CYS . 71.8 m95 -59.64 151.46 24.74 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 28.5 mt -106.35 98.21 6.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.143 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 76.8 t -40.42 122.35 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.126 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.468 ' HB1' ' CZ ' ' A' ' 67' ' ' PHE . . . -92.14 -50.12 5.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.151 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 16.3 p-10 -87.75 162.64 16.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 25.6 tptp -84.75 -56.25 3.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.901 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -123.21 -65.09 1.11 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.84 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 85.4 mt -153.33 154.93 35.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.94 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 18.2 mt -102.86 124.84 57.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.092 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 34.2 m-20 -87.05 -46.81 9.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.866 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 26.8 mtpp -66.38 160.57 24.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.9 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -87.31 2.22 50.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.151 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.426 ' HE2' ' CG2' ' A' ' 25' ' ' THR . 12.6 mtpt -129.12 152.24 48.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.907 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.468 ' CZ ' ' HB1' ' A' ' 57' ' ' ALA . 32.5 t80 -143.47 149.67 37.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.909 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 97.1 m -133.14 118.43 18.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.149 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 58.0 mt -74.5 132.32 33.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.123 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 35.7 p -105.55 134.91 47.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.126 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 86.03 75.61 1.25 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.474 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 18.1 mt -137.05 127.53 16.06 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.576 0.703 . . . . 0.0 110.944 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 131.1 20.49 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.693 2.262 . . . . 0.0 112.37 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 50.2 m -52.94 144.18 15.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.141 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 61.58 45.13 8.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.842 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -123.56 142.16 51.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.099 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 79.1 mttt -104.36 136.16 44.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.921 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 33.0 pt -143.05 156.67 17.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.148 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 86.8 m-85 -103.68 122.01 44.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.901 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 83.1 t -108.04 138.35 35.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.095 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.431 ' HG2' ' CZ3' ' A' ' 54' ' ' TRP . 25.1 ptt180 -151.42 138.04 18.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.836 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 4.8 m -116.42 147.32 19.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.084 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 4.3 mtmm -132.84 140.91 48.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.884 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -88.3 110.57 20.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.105 179.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 77.3 t -99.66 129.88 49.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.12 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . 0.461 ' N ' ' ND2' ' A' ' 86' ' ' ASN . 0.3 OUTLIER -132.21 174.47 10.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.834 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.56 -41.33 80.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.117 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.15 -52.72 62.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.121 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -175.99 -126.91 0.99 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.494 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -145.42 153.77 41.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.787 0.327 . . . . 0.0 111.099 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 7.5 t -101.03 169.16 9.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.859 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -59.1 144.03 83.42 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.688 0.756 . . . . 0.0 110.88 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 146.57 60.41 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.669 2.246 . . . . 0.0 112.349 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 34.0 tptt -95.95 104.13 16.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.887 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 50.3 m-85 -88.02 122.45 31.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.917 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -71.88 132.57 44.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.878 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 3.3 t -46.14 -70.49 0.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.864 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -103.03 147.49 34.2 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.613 0.721 . . . . 0.0 110.872 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 148.84 65.73 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.677 2.251 . . . . 0.0 112.344 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 5.0 mp -86.11 142.38 13.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.129 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.48 ' O ' ' N ' ' A' ' 103' ' ' LYS . 45.2 tp -114.25 102.55 10.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.906 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 1.8 p -55.68 82.84 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.132 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . 0.48 ' N ' ' O ' ' A' ' 101' ' ' LEU . 12.8 tptp -142.29 135.01 28.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.9 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -72.91 158.07 36.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.931 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 80.1 p -70.58 -26.89 63.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.837 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 91.87 -158.04 24.75 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.467 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -5.46 16.24 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.674 2.25 . . . . 0.0 112.355 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 12.6 t -40.76 137.24 1.22 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.82 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 50.8 m -53.74 120.24 5.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.85 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.486 -179.98 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.7 p -116.92 74.53 0.92 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.861 0.362 . . . . 0.0 110.87 -179.759 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 4' ' ' GLY . 2.6 m -175.0 162.07 3.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.87 -179.778 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.408 ' C ' ' O ' ' A' ' 3' ' ' SER . . . -35.51 138.19 0.3 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.534 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.441 ' O ' ' C ' ' A' ' 6' ' ' SER . 60.4 p -79.46 52.47 1.38 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.844 0.354 . . . . 0.0 110.883 -179.753 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.441 ' C ' ' O ' ' A' ' 5' ' ' SER . 46.9 p 34.75 46.28 0.19 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.854 -179.779 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 67.99 -75.04 0.25 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.49 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.451 ' CG2' ' N ' ' A' ' 9' ' ' SER . 56.9 m -94.23 164.97 12.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.782 0.325 . . . . 0.0 111.143 -179.87 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.451 ' N ' ' CG2' ' A' ' 8' ' ' THR . 1.9 m -88.32 150.01 46.0 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.621 0.724 . . . . 0.0 110.866 -179.85 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 169.48 18.85 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.655 2.236 . . . . 0.0 112.315 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.72 148.32 65.06 Favored 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.66 2.24 . . . . 0.0 112.374 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 53.7 p -134.32 177.36 7.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.118 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.9 mt 55.51 53.3 9.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.967 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.457 HD11 ' CE ' ' A' ' 26' ' ' MET . 2.0 tm? -83.59 118.78 24.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.948 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.4 ' CG2' ' N ' ' A' ' 16' ' ' VAL . 41.0 m -142.82 154.98 44.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.156 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.4 ' N ' ' CG2' ' A' ' 15' ' ' THR . 3.6 t -89.0 112.79 24.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.116 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -70.16 -49.67 48.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.842 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.2 t -159.15 153.52 24.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.862 -179.719 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 19.2 t -142.5 130.08 19.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.12 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -108.14 -178.2 3.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.116 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -87.97 -5.22 58.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -125.13 -21.21 4.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.147 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 36.0 p -145.39 166.1 26.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.1 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 15.9 m -134.09 135.62 54.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.114 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.7 m -104.6 130.91 52.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.152 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.457 ' CE ' HD11 ' A' ' 14' ' ' LEU . 97.9 mmm -129.78 125.23 35.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.9 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.418 ' C ' ' HD3' ' A' ' 27' ' ' ARG . 0.1 OUTLIER -117.19 146.82 42.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.85 -179.92 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 41.5 p90 -140.42 177.7 7.82 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.907 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 5.1 mmm180 -120.3 150.38 51.54 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.602 0.715 . . . . 0.0 110.885 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 162.62 41.37 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.716 2.278 . . . . 0.0 112.333 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 142.23 47.59 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.719 2.279 . . . . 0.0 112.339 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -42.31 -49.41 5.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.846 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 56.7 t-80 -136.35 147.73 47.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.828 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 20.6 mm -94.32 109.3 21.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.11 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -48.01 146.91 4.74 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.486 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -39.37 -42.63 1.09 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.841 0.353 . . . . 0.0 111.113 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -54.04 -47.11 71.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.057 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 108.25 137.17 8.1 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.518 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 7.4 tp -79.89 132.91 36.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.859 0.361 . . . . 0.0 110.926 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -115.87 97.91 6.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.434 ' C ' ' CG ' ' A' ' 42' ' ' TYR . . . 41.15 -145.87 0.49 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.507 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.434 ' CG ' ' C ' ' A' ' 41' ' ' GLY . 0.2 OUTLIER -155.61 173.48 16.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.92 0.391 . . . . 0.0 110.957 -179.827 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 59.5 t -127.62 131.44 70.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.127 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.2 tp -111.47 135.52 51.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.862 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 55.0 mt-10 -144.72 132.4 21.1 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.865 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.41 ' CE1' HG23 ' A' ' 55' ' ' ILE . 20.2 p90 -124.44 131.48 53.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.923 -179.852 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 1.2 t -96.45 122.56 39.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.884 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -86.42 137.29 32.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.466 ' CD ' ' N ' ' A' ' 50' ' ' GLY . 2.8 pp20? -54.77 -40.0 68.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.868 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.466 ' N ' ' CD ' ' A' ' 49' ' ' GLU . . . -69.21 -18.76 73.44 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.532 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 78.8 p -107.39 179.38 4.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.733 0.302 . . . . 0.0 111.115 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -120.77 -35.91 3.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.899 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -89.84 150.35 22.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.886 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 63.0 m95 -71.69 138.33 48.48 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.443 HG21 ' N ' ' A' ' 56' ' ' VAL . 5.4 mp -101.95 142.01 17.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.126 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.443 ' N ' HG21 ' A' ' 55' ' ' ILE . 1.6 p -93.36 150.15 4.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.153 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -107.89 -40.04 5.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.114 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 16.9 p-10 -89.71 150.39 22.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.883 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.464 ' HG2' ' N ' ' A' ' 60' ' ' ASP . 0.0 OUTLIER -82.87 -32.98 27.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.916 179.899 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.464 ' N ' ' HG2' ' A' ' 59' ' ' LYS . 2.0 t70 -133.48 -70.99 0.52 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.822 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 37.3 mt -155.27 162.16 40.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.917 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 20.9 mt -105.6 113.07 41.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.09 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -89.87 37.35 0.88 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.853 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.27 139.8 16.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.871 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 5.0 p -67.05 -3.53 7.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.129 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.7 mmmm -121.44 166.59 13.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.536 ' CD1' ' N ' ' A' ' 68' ' ' THR . 24.8 t80 -166.62 156.47 11.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.536 ' N ' ' CD1' ' A' ' 67' ' ' PHE . 31.4 m -144.08 128.32 17.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.151 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 17.9 mt -91.92 140.21 16.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.087 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 73.1 p -119.64 137.21 54.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.176 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 94.11 61.31 1.09 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.482 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 36.6 mt -131.43 132.89 23.83 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.627 0.727 . . . . 0.0 110.89 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 146.04 58.81 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.642 2.228 . . . . 0.0 112.371 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 22.1 m -73.36 153.25 40.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.12 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 7.9 t70 57.84 37.7 27.03 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -115.99 149.57 38.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.075 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 31.5 mttt -107.99 135.39 49.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.887 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 32.9 pt -146.76 154.16 12.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.141 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -102.12 131.55 48.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.905 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.404 HG13 ' CE ' ' A' ' 26' ' ' MET . 79.2 t -106.82 144.61 15.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.124 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 20.9 ptt180 -159.44 133.61 7.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.875 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 1.7 m -125.28 144.82 33.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.145 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -133.72 174.51 10.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -117.12 131.25 56.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.112 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 76.0 t -117.99 129.56 74.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.141 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -145.49 179.03 7.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.873 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -49.38 -51.38 35.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.136 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -47.51 -52.29 17.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.067 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 170.15 -130.04 1.94 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.458 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -134.57 143.82 47.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.787 0.327 . . . . 0.0 111.092 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.7 t -101.32 152.78 20.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.845 -179.79 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -57.42 142.08 77.07 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.625 0.726 . . . . 0.0 110.889 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.491 ' HG2' ' CE1' ' A' ' 95' ' ' TYR . 53.9 Cg_endo -69.74 148.7 65.76 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.717 2.278 . . . . 0.0 112.342 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 2.9 tppt? -92.0 113.22 25.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.93 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . 0.491 ' CE1' ' HG2' ' A' ' 93' ' ' PRO . 58.4 m-85 -91.28 120.36 32.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.891 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 27.9 t80 -68.01 166.59 15.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.911 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 67.9 p -62.9 -74.28 0.1 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.9 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -105.29 159.31 29.87 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.572 0.701 . . . . 0.0 110.946 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 147.72 63.59 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.734 2.289 . . . . 0.0 112.363 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 5.2 mp -88.59 129.46 39.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.11 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.45 ' CD1' ' C ' ' A' ' 101' ' ' LEU . 0.1 OUTLIER -99.46 110.43 22.91 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.88 179.913 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.431 ' N ' HD11 ' A' ' 101' ' ' LEU . 7.3 p -59.45 82.38 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.166 179.806 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . 0.424 ' N ' ' O ' ' A' ' 101' ' ' LEU . 14.0 tptp -143.42 146.57 33.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.947 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -80.03 149.16 30.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.891 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 10.6 t -175.02 109.63 0.11 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.886 -179.762 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -84.76 170.21 45.62 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.501 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 173.53 10.83 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.695 2.264 . . . . 0.0 112.379 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 11.7 t -119.59 136.62 54.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.86 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 34.0 m -105.08 90.92 3.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.863 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.452 -179.947 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 92.7 p -127.87 160.7 30.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.854 0.359 . . . . 0.0 110.846 -179.723 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 72.7 m -72.26 119.69 16.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.859 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -124.24 -57.85 0.18 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.505 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.9 m -66.68 -60.07 3.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.892 0.377 . . . . 0.0 110.849 -179.722 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.3 t 68.25 28.54 6.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.872 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 86.06 -61.62 4.47 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.487 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 46.1 m -100.46 159.92 14.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.789 0.328 . . . . 0.0 111.125 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 17.7 m -78.83 148.86 73.2 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.684 0.754 . . . . 0.0 110.849 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 168.79 20.55 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.647 2.232 . . . . 0.0 112.347 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 122.41 9.08 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.668 2.245 . . . . 0.0 112.319 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 79.5 p -106.53 -177.56 3.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.164 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.414 HD12 ' NH1' ' A' ' 29' ' ' ARG . 33.3 mt 49.39 49.63 19.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.919 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -86.97 112.99 22.35 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.934 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 21.3 m -153.97 143.2 21.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.151 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.407 HG22 ' CE ' ' A' ' 26' ' ' MET . 2.8 t -64.48 146.76 12.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.103 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -106.52 -56.98 2.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.854 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 33.0 p -138.13 148.36 44.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.841 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 77.4 t -131.86 125.2 54.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.094 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.456 ' O ' ' N ' ' A' ' 22' ' ' THR . 0.8 OUTLIER -132.19 128.0 37.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.137 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.427 ' C ' ' O ' ' A' ' 20' ' ' THR . 2.7 p-10 -35.46 -33.19 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.858 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.456 ' N ' ' O ' ' A' ' 20' ' ' THR . 29.3 p -71.11 -54.1 12.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.141 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 20.6 p -152.27 162.48 41.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.139 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 34.5 m -104.35 164.85 3.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.149 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 68.6 m -134.78 122.42 22.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.12 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.407 ' CE ' HG22 ' A' ' 16' ' ' VAL . 79.7 mmm -112.66 130.25 56.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.856 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 4.8 ptm180 -115.09 149.48 37.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.862 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 26.1 p90 -163.37 174.32 12.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.924 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.414 ' NH1' HD12 ' A' ' 13' ' ' LEU . 31.2 mtt85 -129.25 156.68 77.97 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.587 0.708 . . . . 0.0 110.884 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 168.71 20.71 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.66 2.24 . . . . 0.0 112.358 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 136.98 34.42 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.752 2.301 . . . . 0.0 112.322 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -39.46 -42.77 1.15 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.872 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 28.6 m170 -133.58 162.64 31.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.871 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 3.2 mm -113.88 120.28 63.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.15 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -48.85 156.53 1.33 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.444 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -54.31 -41.88 69.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.81 0.338 . . . . 0.0 111.116 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -57.18 -26.53 60.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.113 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 105.58 -175.14 21.54 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.494 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 8.0 tp -133.61 135.56 44.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.784 0.326 . . . . 0.0 110.87 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.423 ' O ' ' C ' ' A' ' 41' ' ' GLY . 36.1 m-20 -121.39 96.67 5.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.84 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.423 ' C ' ' O ' ' A' ' 40' ' ' ASP . . . 36.54 -151.72 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.432 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -148.65 177.59 9.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.89 0.376 . . . . 0.0 110.967 -179.804 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 23.3 t -133.92 142.09 42.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.169 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.7 tt -138.9 135.83 34.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.946 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -138.01 158.07 45.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.856 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 8.0 p90 -137.38 133.5 34.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.926 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.427 ' HB2' ' CD2' ' A' ' 54' ' ' TRP . 1.2 t -103.2 127.98 50.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.874 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -87.27 141.78 28.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.915 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -62.02 -27.28 68.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.864 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -75.62 -18.17 79.85 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.449 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 66.4 p -122.34 144.12 49.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.75 0.309 . . . . 0.0 111.157 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -91.55 27.87 1.88 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -138.85 152.4 47.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.839 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . 0.427 ' CD2' ' HB2' ' A' ' 47' ' ' CYS . 79.9 m95 -83.23 122.13 28.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.942 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 27.8 mt -90.2 101.8 12.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.118 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 91.7 t -56.3 124.71 10.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.124 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -84.17 -54.27 4.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.128 179.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.408 ' OD1' ' N ' ' A' ' 59' ' ' LYS . 1.0 OUTLIER -74.85 149.04 39.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.883 -179.942 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.408 ' N ' ' OD1' ' A' ' 58' ' ' ASN . 24.2 mtpt -87.46 -65.57 1.0 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.929 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -102.55 -68.24 0.84 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.847 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 95.6 mt -155.35 159.58 40.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.91 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 45.7 mt -103.64 126.8 58.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.137 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 43.3 t0 -108.06 38.01 2.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.87 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 10.3 pttm -149.9 146.09 26.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.913 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 16.7 p -76.89 3.11 12.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.108 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 63.8 mttt -141.85 138.38 32.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.936 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.497 ' CD1' ' N ' ' A' ' 68' ' ' THR . 22.4 t80 -129.04 151.69 49.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.902 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.497 ' N ' ' CD1' ' A' ' 67' ' ' PHE . 64.7 m -134.15 117.53 16.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.158 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 15.6 mt -79.22 107.81 12.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.095 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 62.6 p -83.78 129.63 34.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.137 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 96.28 70.76 1.06 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.487 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 17.5 mt -133.85 126.06 18.61 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.633 0.73 . . . . 0.0 110.911 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 133.1 24.64 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.706 2.271 . . . . 0.0 112.322 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.436 HG23 ' N ' ' A' ' 75' ' ' ASP . 88.2 m -58.7 143.01 48.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.135 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.436 ' N ' HG23 ' A' ' 74' ' ' THR . 6.0 m-20 70.34 29.9 3.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.853 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -113.79 141.27 47.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.09 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 26.6 mttm -108.12 136.46 47.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.923 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.405 HD12 ' C ' ' A' ' 78' ' ' ILE . 2.7 pp -141.87 159.12 20.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.117 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 54.3 m-85 -104.16 132.34 50.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.917 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 74.9 t -112.01 132.22 61.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.125 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 34.6 ptt180 -146.45 128.13 15.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.847 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 34.0 m -125.97 152.63 33.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.161 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.8 167.94 22.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -93.38 120.36 33.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.073 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 45.6 t -107.7 120.95 59.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.121 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . 0.523 ' N ' ' ND2' ' A' ' 86' ' ' ASN . 0.0 OUTLIER -139.75 177.43 7.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.889 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -54.55 -46.06 73.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.084 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -47.84 -34.41 8.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.132 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 151.47 -109.36 0.42 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.498 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -155.29 151.66 28.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.78 0.324 . . . . 0.0 111.136 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 19.6 m -101.89 158.02 16.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.874 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -50.48 143.06 14.38 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.686 0.755 . . . . 0.0 110.868 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 149.4 66.73 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.696 2.264 . . . . 0.0 112.363 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 20.1 tptp -101.52 120.18 39.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.925 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 -102.55 121.8 43.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.962 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 7.1 t80 -72.77 142.58 48.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.911 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 4.9 m -48.57 -73.24 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.863 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 11.3 mm100 -108.56 151.28 41.56 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.553 0.692 . . . . 0.0 110.946 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 149.22 66.56 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.677 2.251 . . . . 0.0 112.341 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 3.7 mp -89.62 125.98 42.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.146 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.474 ' O ' ' N ' ' A' ' 103' ' ' LYS . 37.4 tp -97.85 101.89 13.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.912 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 2.7 p -54.67 84.05 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.089 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . 0.474 ' N ' ' O ' ' A' ' 101' ' ' LEU . 20.5 tptp -143.08 132.82 23.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.909 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.438 ' HG3' ' N ' ' A' ' 105' ' ' SER . 3.1 tp10 -83.34 150.54 26.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.914 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' SER . . . . . 0.438 ' N ' ' HG3' ' A' ' 104' ' ' GLU . 11.2 p -76.18 -48.23 21.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.843 -179.786 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 129.97 -95.91 0.36 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.501 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 144.31 53.49 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.676 2.251 . . . . 0.0 112.298 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 70.6 m -99.55 -50.63 4.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.845 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 64.3 m -122.08 121.52 37.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.877 -179.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.511 -179.953 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.511 -0.236 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.4 m -82.02 139.25 34.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.872 0.368 . . . . 0.0 110.876 -179.749 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.2 t -113.72 98.95 7.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.854 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 115.75 148.63 9.29 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.475 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 83.9 p -63.0 157.51 21.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.927 0.394 . . . . 0.0 110.84 -179.752 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.9 p -95.27 15.02 20.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.907 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 82.5 -55.67 4.98 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.51 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -92.01 150.57 20.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.854 0.359 . . . . 0.0 111.098 -179.863 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.5 t -78.69 149.3 74.33 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.701 0.762 . . . . 0.0 110.884 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.76 169.24 19.37 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.718 2.279 . . . . 0.0 112.354 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 129.65 18.0 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.68 2.253 . . . . 0.0 112.342 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 44.9 p -112.98 -177.98 3.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.139 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 80.6 mt 55.56 48.97 17.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.914 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.449 ' CD1' ' CD1' ' A' ' 96' ' ' TYR . 1.9 tm? -81.79 109.47 16.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.955 179.829 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 45.4 p -133.77 158.12 44.15 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.139 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.404 ' O ' ' C ' ' A' ' 17' ' ' ASP . 21.4 t -94.78 84.4 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.115 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 16' ' ' VAL . 25.4 t70 -36.07 -60.22 0.56 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.861 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.421 ' O ' ' CG2' ' A' ' 19' ' ' VAL . 20.9 t -157.81 177.7 11.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.823 -179.757 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.421 ' CG2' ' O ' ' A' ' 18' ' ' SER . 39.8 t -160.15 147.98 6.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.126 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -133.51 158.11 43.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.128 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -59.75 -15.18 18.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.853 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 29.7 p -98.84 -53.32 3.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.113 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 16.6 p -139.64 163.08 33.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.114 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 31.0 m -111.5 163.82 7.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.123 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 28.8 m -132.14 127.94 37.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.15 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 99.0 mmm -115.91 160.27 20.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.901 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.431 ' HD3' ' N ' ' A' ' 28' ' ' TRP . 0.0 OUTLIER -148.94 151.54 34.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.859 -179.935 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.431 ' N ' ' HD3' ' A' ' 27' ' ' ARG . 26.5 p90 -163.62 172.63 14.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.889 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 16.2 mtt180 -123.43 154.49 65.99 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.601 0.715 . . . . 0.0 110.908 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 168.57 21.2 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.705 2.27 . . . . 0.0 112.308 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 153.9 68.33 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.722 2.282 . . . . 0.0 112.308 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -39.52 -50.01 2.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.854 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 9.6 t-80 -162.71 157.48 21.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.866 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.555 ' N ' ' CD1' ' A' ' 34' ' ' ILE . 1.2 mp -102.39 126.6 56.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.135 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -126.31 -44.39 0.25 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.467 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.474 ' O ' ' N ' ' A' ' 38' ' ' GLY . . . -56.46 -174.95 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.803 0.335 . . . . 0.0 111.061 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.446 ' C ' ' O ' ' A' ' 36' ' ' ALA . . . -33.85 -34.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.091 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.474 ' N ' ' O ' ' A' ' 36' ' ' ALA . . . 151.08 -159.35 28.14 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.456 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 7.3 tp -132.98 124.8 28.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.807 0.337 . . . . 0.0 110.912 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.412 ' O ' ' C ' ' A' ' 41' ' ' GLY . 19.9 m-20 -110.49 95.13 5.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 179.823 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.465 ' C ' ' CG ' ' A' ' 42' ' ' TYR . . . 36.84 -134.91 0.75 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.499 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.465 ' CG ' ' C ' ' A' ' 41' ' ' GLY . 1.4 m-85 -157.99 169.41 24.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.9 0.381 . . . . 0.0 110.92 -179.816 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 95.0 t -133.79 127.54 52.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.112 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 8.4 tt -122.08 130.56 53.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.906 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 76.4 mt-10 -134.46 153.71 51.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.91 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 26.4 p90 -134.18 137.32 44.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.928 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.492 ' HB2' ' CD2' ' A' ' 54' ' ' TRP . 26.1 t -107.82 133.79 51.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.867 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -90.66 147.83 23.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.868 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -59.78 133.59 56.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.931 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 94.38 -48.03 2.14 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.522 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 68.0 p -74.44 118.36 17.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.745 0.307 . . . . 0.0 111.111 -179.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -83.33 37.82 0.58 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -144.49 138.37 27.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.851 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . 0.492 ' CD2' ' HB2' ' A' ' 47' ' ' CYS . 85.9 m95 -82.84 135.77 34.84 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.946 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 5.2 mp -98.43 122.4 50.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.133 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 36.8 t -70.86 130.53 34.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.178 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -93.42 -49.42 5.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.082 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 11.3 p-10 -83.06 165.89 19.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 5.5 ptpt -91.17 -49.37 6.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.927 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 16.3 t0 -125.47 -74.92 0.6 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.838 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 43.5 mt -137.9 173.43 11.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.946 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 24.6 mt -116.47 125.19 73.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.149 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 12.7 t0 -84.07 -57.95 2.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 42.1 mttp -68.96 164.99 20.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.885 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -85.52 -4.36 59.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.131 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 17.6 mtmt -119.05 163.4 17.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.864 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.494 ' CD1' ' N ' ' A' ' 68' ' ' THR . 21.1 t80 -153.89 154.45 33.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.888 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.494 ' N ' ' CD1' ' A' ' 67' ' ' PHE . 7.3 m -130.2 123.03 29.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.116 -179.865 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 52.4 mt -87.22 103.65 13.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.15 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 48.8 p -86.41 137.08 32.84 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.118 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 91.87 65.19 1.14 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.507 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 19.9 mt -132.68 132.6 22.72 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.566 0.698 . . . . 0.0 110.913 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 130.74 19.84 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.673 2.248 . . . . 0.0 112.339 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 81.5 m -59.51 137.51 57.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.104 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 14.9 t70 69.59 49.81 0.54 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.863 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.438 ' N ' HD13 ' A' ' 101' ' ' LEU . . . -130.95 139.57 50.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.07 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 43.5 mttp -96.45 126.09 41.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.876 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 14.2 pt -139.24 146.59 25.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.151 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 64.6 m-85 -99.74 138.79 36.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 40.3 t -117.19 145.54 22.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.12 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.439 ' HG2' ' CZ3' ' A' ' 54' ' ' TRP . 4.1 ptp180 -146.84 133.46 19.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.907 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 21.1 m -126.97 128.15 70.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.111 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 28.9 pttt -131.99 163.86 27.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.939 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -100.67 135.77 41.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.107 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 87.5 t -119.69 135.11 61.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.147 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . 0.487 ' N ' ' ND2' ' A' ' 86' ' ' ASN . 0.0 OUTLIER -144.4 167.59 22.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.856 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -39.02 -44.01 1.05 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.125 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -56.44 -52.8 63.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.063 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 172.39 -130.92 2.01 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.449 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -128.22 161.26 29.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.818 0.342 . . . . 0.0 111.098 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 2.8 m -104.12 167.38 9.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.859 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -62.45 142.4 96.35 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.643 0.735 . . . . 0.0 110.89 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 147.38 62.53 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.674 2.249 . . . . 0.0 112.341 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 2.2 tppt? -107.47 99.79 9.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 28.1 m-85 -84.61 116.02 22.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.927 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . 0.449 ' CD1' ' CD1' ' A' ' 14' ' ' LEU . 4.6 t80 -55.93 177.86 0.05 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 68.9 m -78.53 -71.53 0.43 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.848 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 47.6 mt-30 -102.72 154.14 37.71 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.61 0.719 . . . . 0.0 110.922 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 112.22 3.02 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.684 2.256 . . . . 0.0 112.334 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 15.8 mt -54.05 111.19 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.145 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.465 ' O ' ' N ' ' A' ' 103' ' ' LYS . 31.9 tp -92.79 91.18 7.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 2.5 p -39.19 93.48 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.151 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . 0.465 ' N ' ' O ' ' A' ' 101' ' ' LEU . 25.2 tptt -144.6 145.03 31.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -79.38 161.19 26.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.89 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 2.0 m -105.29 -35.05 7.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.826 -179.784 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -164.95 146.1 10.92 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.449 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.68 -27.41 26.88 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.706 2.27 . . . . 0.0 112.378 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 34.4 t -65.65 128.73 37.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.85 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 52.8 p -101.53 128.37 47.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.277 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.472 -179.973 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.2 p -107.12 103.81 13.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.869 0.366 . . . . 0.0 110.891 -179.74 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.8 p -54.44 173.0 0.08 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.917 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 62.13 60.04 8.59 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.529 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.6 t -110.27 125.59 53.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.872 0.368 . . . . 0.0 110.845 -179.719 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.4 p -130.36 -46.61 1.09 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.819 -179.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 127.56 -40.89 1.67 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.449 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.1 p -90.99 173.07 8.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.832 0.349 . . . . 0.0 111.13 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 22.1 m -97.82 149.85 36.15 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.677 0.751 . . . . 0.0 110.874 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 169.75 18.2 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.631 2.221 . . . . 0.0 112.316 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 121.07 7.77 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.676 2.25 . . . . 0.0 112.321 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 42.2 p -101.79 176.77 5.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.173 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.447 HD12 ' NE ' ' A' ' 29' ' ' ARG . 13.4 mt 56.28 45.63 22.66 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.918 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.48 ' C ' ' CD1' ' A' ' 14' ' ' LEU . 2.0 tm? -85.59 109.13 18.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.937 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 5.1 t -135.0 157.63 46.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.16 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 44.8 t -77.27 89.28 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.124 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -45.4 -58.91 2.99 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 17.0 m -154.23 171.52 19.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.827 -179.709 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 58.2 t -151.99 136.78 10.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.115 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.425 ' O ' ' N ' ' A' ' 22' ' ' THR . 24.9 m -133.96 137.44 44.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.203 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -38.3 -30.86 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.868 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.425 ' N ' ' O ' ' A' ' 20' ' ' THR . 38.2 p -83.55 -63.24 1.39 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.178 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 54.3 p -130.81 165.92 21.96 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.109 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 34.2 m -118.93 154.67 21.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.121 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.438 HG21 ' N ' ' A' ' 26' ' ' MET . 28.0 m -118.48 142.97 47.06 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.125 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.438 ' N ' HG21 ' A' ' 25' ' ' THR . 84.3 mmm -140.06 120.97 14.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.936 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 10.8 ptt180 -102.82 152.1 21.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.863 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 34.3 p90 -153.59 165.63 35.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.447 ' NE ' HD12 ' A' ' 13' ' ' LEU . 1.7 ttp180 -121.37 139.07 29.02 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.636 0.731 . . . . 0.0 110.848 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 166.19 28.4 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.704 2.269 . . . . 0.0 112.338 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.437 ' HG2' ' CD1' ' A' ' 34' ' ' ILE . 53.9 Cg_endo -69.75 138.99 39.18 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.697 2.265 . . . . 0.0 112.349 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -62.08 -46.92 86.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.864 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 28.6 t-80 -93.12 141.89 27.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.862 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.437 ' CD1' ' HG2' ' A' ' 31' ' ' PRO . 22.4 mm -133.28 116.26 25.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.137 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -139.65 -51.8 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.526 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.412 ' O ' ' C ' ' A' ' 37' ' ' ALA . . . -53.45 91.38 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.845 0.355 . . . . 0.0 111.104 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.463 ' CB ' ' HB2' ' A' ' 87' ' ' ALA . . . 36.42 37.63 0.06 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.133 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.424 ' HA2' ' CG2' ' A' ' 34' ' ' ILE . . . 66.9 -153.63 52.76 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.461 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 21.9 tp -130.17 136.58 49.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.79 0.329 . . . . 0.0 110.924 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -122.09 94.78 4.41 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.863 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 43.46 -161.66 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.512 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -139.38 -178.09 5.22 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.914 0.388 . . . . 0.0 110.934 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 95.9 t -140.21 135.67 36.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.111 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.413 HD21 ' CD1' ' A' ' 67' ' ' PHE . 4.6 tp -112.69 136.7 51.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.907 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -144.28 133.38 22.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.559 ' CE1' HG21 ' A' ' 55' ' ' ILE . 25.2 p90 -126.86 145.77 50.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.866 -179.864 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.516 ' HB2' ' CD2' ' A' ' 54' ' ' TRP . 19.3 t -114.06 99.96 8.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.896 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -53.94 157.12 2.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.918 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -70.15 -42.09 72.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.856 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -89.51 40.24 3.06 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.517 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 29.6 p -140.9 -177.52 5.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.749 0.309 . . . . 0.0 111.136 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.3 pp20? -131.59 -35.56 1.29 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.916 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -96.71 145.31 25.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.897 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . 0.516 ' CD2' ' HB2' ' A' ' 47' ' ' CYS . 55.9 m95 -70.92 123.28 21.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.559 HG21 ' CE1' ' A' ' 46' ' ' TYR . 18.0 mt -87.64 138.27 19.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.104 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 7.4 p -91.57 122.64 43.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.13 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -73.95 -34.22 64.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.087 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.497 ' ND2' ' O ' ' A' ' 60' ' ' ASP . 1.1 t30 -152.15 108.76 3.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.925 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -58.74 -58.26 9.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.853 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.497 ' O ' ' ND2' ' A' ' 58' ' ' ASN . 4.1 m-20 -53.05 -174.98 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.886 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 20.3 mt -97.35 134.37 40.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.927 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 6.6 mt -87.83 106.87 16.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.127 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -56.46 -65.22 0.65 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 20.6 mtmm -58.29 169.67 0.82 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.957 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 21.2 p -99.01 34.07 2.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.102 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 16.4 ttpp -158.05 135.85 10.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.842 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.497 ' CE2' ' HB2' ' A' ' 58' ' ' ASN . 35.6 t80 -131.84 156.05 46.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.848 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.423 ' N ' ' CD1' ' A' ' 67' ' ' PHE . 89.3 m -131.03 102.45 6.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.121 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 39.6 mt -48.89 139.35 3.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.119 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 58.5 p -112.36 128.73 56.37 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.185 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 85.47 79.81 1.14 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.511 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 20.4 mt -136.97 130.37 17.52 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.591 0.71 . . . . 0.0 110.933 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 129.14 17.05 Favored 'Trans proline' 0 N--CA 1.465 -0.195 0 C-N-CA 122.699 2.266 . . . . 0.0 112.339 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 18.4 m -59.4 143.48 49.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.1 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 14.3 t70 66.53 47.85 1.59 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -133.9 146.11 50.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.091 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 45.7 mttm -104.67 145.04 30.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.915 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.457 ' CD1' HG22 ' A' ' 80' ' ' VAL . 2.7 pp -153.15 156.24 5.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.148 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 37.9 m-85 -100.76 128.51 46.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.457 HG22 ' CD1' ' A' ' 78' ' ' ILE . 92.5 t -108.45 141.07 24.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.122 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.437 ' N ' HG13 ' A' ' 80' ' ' VAL . 46.1 ptt85 -159.56 131.96 6.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.895 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 14.4 m -118.97 148.04 22.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.111 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 43.1 pttt -139.88 139.53 36.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.863 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -70.33 137.93 51.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.095 179.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 86.4 t -125.39 129.02 73.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.148 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -143.82 173.01 12.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.904 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.463 ' HB2' ' CB ' ' A' ' 37' ' ' ALA . . . -42.47 -56.24 3.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.126 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -48.24 -54.15 14.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.098 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 176.59 -113.96 0.46 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.486 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -151.46 166.8 29.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.766 0.317 . . . . 0.0 111.091 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 69.6 m -105.33 166.97 10.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.848 -179.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -57.87 144.18 75.21 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.617 0.722 . . . . 0.0 110.903 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 142.66 48.4 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.665 2.243 . . . . 0.0 112.346 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.57 108.21 20.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.89 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 57.9 m-85 -92.79 123.28 35.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.894 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -65.26 179.37 0.75 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.898 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.2 t -79.25 -68.12 0.69 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.874 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 18.1 mm-40 -105.68 155.05 38.78 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.641 0.734 . . . . 0.0 110.888 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 125.2 11.87 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.646 2.231 . . . . 0.0 112.358 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 4.8 mp -68.04 138.23 23.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.105 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.454 ' O ' ' N ' ' A' ' 103' ' ' LYS . 8.8 tp -118.69 110.69 17.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 5.1 p -58.57 81.19 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.122 179.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . 0.454 ' N ' ' O ' ' A' ' 101' ' ' LEU . 19.4 tptp -136.97 145.66 44.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -88.85 168.15 12.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.906 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 44.7 m -115.91 50.62 1.01 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.872 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 76.04 -157.26 48.33 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.521 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 85.3 0.62 Allowed 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.739 2.292 . . . . 0.0 112.315 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 20.9 t -108.94 143.25 38.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.839 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 3.5 m -137.62 110.72 7.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.867 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.503 -179.983 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.519 -0.232 . . . . 0.0 112.519 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.9 t -84.34 178.69 7.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.903 0.382 . . . . 0.0 110.843 -179.735 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.3 p -143.82 129.04 18.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.848 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 142.88 77.28 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.489 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.2 m -69.57 146.58 51.67 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.909 0.385 . . . . 0.0 110.857 -179.729 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.8 p -94.52 -6.64 43.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.825 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 100.56 -55.56 0.82 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.443 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.469 HG22 ' CG2' ' A' ' 34' ' ' ILE . 3.3 p -83.66 165.03 19.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.838 0.352 . . . . 0.0 111.112 -179.833 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 67.1 m -88.78 150.03 44.97 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.632 0.73 . . . . 0.0 110.887 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 166.2 28.4 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.719 2.279 . . . . 0.0 112.337 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 117.61 5.19 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.711 2.274 . . . . 0.0 112.309 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 47.0 p -100.02 -178.59 3.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.12 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 19.9 mt 54.76 46.54 24.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.925 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.4 ' CD2' HG23 ' A' ' 82' ' ' VAL . 2.5 tm? -82.44 114.58 20.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.95 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 6.6 t -144.61 156.91 44.36 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.108 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 8.7 t -85.61 102.4 11.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.105 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -54.33 -62.34 1.72 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.876 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.5 t -146.48 172.06 14.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.896 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 71.8 t -150.86 128.0 2.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.15 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.466 ' O ' ' N ' ' A' ' 22' ' ' THR . 7.5 m -124.79 133.63 53.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.129 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -39.85 -25.82 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.897 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.466 ' N ' ' O ' ' A' ' 20' ' ' THR . 16.6 p -87.36 -55.29 3.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.168 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.401 HG21 ' C ' ' A' ' 22' ' ' THR . 48.4 p -140.6 162.11 36.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.113 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 32.9 m -115.22 152.35 16.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.128 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 11.5 m -123.43 138.08 54.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.104 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 63.7 mmm -122.27 166.79 14.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.895 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 7.7 ptm180 -150.12 146.81 27.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.933 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 13.2 p90 -157.27 167.13 31.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.919 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 17.6 mtt180 -119.2 154.95 53.87 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.573 0.702 . . . . 0.0 110.867 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 166.05 28.93 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.649 2.232 . . . . 0.0 112.345 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.425 ' O ' ' C ' ' A' ' 32' ' ' ASP . 53.9 Cg_endo -69.71 145.35 57.13 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.734 2.29 . . . . 0.0 112.327 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.425 ' C ' ' O ' ' A' ' 31' ' ' PRO . 5.3 t0 -35.63 -48.15 0.51 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.831 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 13.3 t-80 -161.15 147.02 14.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.87 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.469 ' CG2' HG22 ' A' ' 8' ' ' THR . 4.1 mp -106.64 135.36 45.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.127 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.453 ' N ' HG23 ' A' ' 34' ' ' ILE . . . -151.58 42.1 0.72 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.465 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -153.73 108.2 3.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.814 0.34 . . . . 0.0 111.099 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.403 ' CB ' ' HB1' ' A' ' 87' ' ' ALA . . . 40.0 29.63 0.05 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.083 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 62.37 -178.63 5.1 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.485 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 6.3 tp -115.26 138.94 50.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.828 0.347 . . . . 0.0 110.904 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.414 ' O ' ' C ' ' A' ' 41' ' ' GLY . 14.8 m-20 -119.63 99.74 6.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.855 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.414 ' C ' ' O ' ' A' ' 40' ' ' ASP . . . 36.59 -147.46 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.524 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -150.46 156.23 41.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.925 0.393 . . . . 0.0 110.904 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 95.0 t -110.32 127.24 67.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.135 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 5.0 tt -122.06 132.9 54.73 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.891 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 56.9 mt-10 -134.72 164.95 26.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.872 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 13.9 p90 -146.16 141.78 27.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.94 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.558 ' HB2' ' CE3' ' A' ' 54' ' ' TRP . 53.1 t -110.26 117.18 32.96 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.823 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -79.02 135.68 36.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.895 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -51.09 136.62 23.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.886 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 99.53 -46.82 1.38 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.496 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 61.4 p -82.09 120.79 25.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.759 0.314 . . . . 0.0 111.161 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -82.57 39.43 0.61 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -142.19 145.36 34.06 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . 0.561 ' CH2' ' HG3' ' A' ' 81' ' ' ARG . 74.1 m95 -90.1 112.35 23.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.898 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 22.8 mt -78.82 151.32 5.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.138 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 90.1 t -91.99 124.28 44.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.145 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -81.09 -39.85 25.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.091 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.9 p-10 -143.19 129.55 19.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.861 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.72 -50.37 10.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.923 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 75.1 m-20 -68.76 176.84 2.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.87 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 4.3 mt -85.58 136.54 33.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.922 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 21.1 mt -86.82 107.44 16.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.141 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 -65.13 -60.73 2.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.841 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 70.9 mmtt -57.51 171.31 0.45 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.925 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 16.8 p -101.16 21.04 14.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.15 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 18.4 mtmm -142.34 154.9 45.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.931 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 58.9 t80 -145.75 149.91 35.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.926 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 89.7 m -134.99 98.51 4.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.144 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 54.8 mt -50.38 126.07 4.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.146 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 20.4 p -100.4 132.63 45.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.133 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 83.96 79.38 1.07 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.476 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 13.7 mt -135.84 133.01 19.68 Favored Pre-proline 0 C--N 1.327 -0.375 0 CA-C-O 121.573 0.701 . . . . 0.0 110.959 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.433 ' O ' ' CG1' ' A' ' 102' ' ' VAL . 53.8 Cg_endo -69.79 141.63 45.63 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.679 2.253 . . . . 0.0 112.335 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 42.9 m -68.01 142.3 55.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.155 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 60.87 47.97 7.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -124.53 140.75 52.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.034 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 38.4 mttp -97.36 129.57 44.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.405 HD11 ' C ' ' A' ' 78' ' ' ILE . 2.7 pp -142.58 163.34 17.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.108 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.516 ' CE1' ' HB3' ' A' ' 99' ' ' PRO . 92.0 m-85 -113.44 149.78 33.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.943 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 71.4 t -123.49 128.44 74.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.119 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.601 ' NE ' ' CD2' ' A' ' 95' ' ' TYR . 40.6 mmt-85 -131.71 133.11 44.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.854 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.4 HG23 ' CD2' ' A' ' 14' ' ' LEU . 27.9 m -130.2 145.4 35.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.101 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 17.0 pttm -156.42 157.61 35.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.922 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -81.06 154.64 26.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.105 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 96.7 t -148.84 130.22 5.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.085 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -146.03 170.19 17.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.886 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.403 ' HB1' ' CB ' ' A' ' 37' ' ' ALA . . . -42.21 -48.15 4.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.097 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -55.49 -60.59 3.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.066 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -176.69 -151.1 8.68 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.499 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -125.64 163.29 23.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.807 0.337 . . . . 0.0 111.09 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.8 t -102.76 166.17 10.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.841 -179.736 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -54.13 142.23 48.02 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.6 0.714 . . . . 0.0 110.894 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 136.04 32.04 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.708 2.272 . . . . 0.0 112.317 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 20.4 tptp -87.12 123.33 32.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.9 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . 0.601 ' CD2' ' NE ' ' A' ' 81' ' ' ARG . 51.1 m-85 -106.81 112.34 25.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.904 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . 0.545 ' CD1' ' N ' ' A' ' 97' ' ' SER . 28.4 t80 -62.47 166.09 5.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.934 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' SER . . . . . 0.545 ' N ' ' CD1' ' A' ' 96' ' ' TYR . 41.0 m -70.8 -73.78 0.16 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.862 -179.838 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 15.0 pt20 -102.72 152.4 38.43 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.615 0.721 . . . . 0.0 110.886 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . 0.516 ' HB3' ' CE1' ' A' ' 79' ' ' PHE . 54.2 Cg_endo -69.71 138.32 37.69 Favored 'Trans proline' 0 C--O 1.232 0.219 0 C-N-CA 122.692 2.262 . . . . 0.0 112.356 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 3.5 mp -80.21 130.99 35.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.122 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.424 ' O ' ' N ' ' A' ' 103' ' ' LYS . 25.7 tp -113.82 104.67 12.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.919 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.433 ' CG1' ' O ' ' A' ' 73' ' ' PRO . 3.1 p -50.17 90.87 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.157 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . 0.424 ' N ' ' O ' ' A' ' 101' ' ' LEU . 0.4 OUTLIER -137.94 143.68 40.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 179.955 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -71.12 147.27 48.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 13.0 t -80.52 -64.68 1.13 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.869 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 87.83 -155.79 26.99 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.47 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 2.09 3.89 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.648 2.232 . . . . 0.0 112.319 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 2.6 m 60.29 40.75 17.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.849 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 3.7 m -89.08 41.73 1.05 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.884 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.461 -179.995 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.4 t -96.35 70.45 2.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.879 0.371 . . . . 0.0 110.843 -179.693 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 t -41.4 145.34 0.27 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.899 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 165.44 -121.95 1.04 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.523 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.0 t 73.38 52.11 0.12 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.914 0.388 . . . . 0.0 110.842 -179.762 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.5 p -61.8 -49.38 76.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.88 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 145.07 -58.42 0.51 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.51 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -83.96 167.35 17.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.78 0.324 . . . . 0.0 111.167 -179.879 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.6 t -85.92 149.66 51.11 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.681 0.753 . . . . 0.0 110.858 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 169.4 18.99 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.662 2.241 . . . . 0.0 112.372 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 130.27 19.02 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.654 2.236 . . . . 0.0 112.376 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 71.1 p -118.24 176.93 5.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.107 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 11.7 mt 59.02 46.52 13.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.923 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -81.86 125.16 30.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.942 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.3 t -154.92 153.64 31.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.156 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 10.2 t -76.69 120.19 26.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.118 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -77.37 -65.27 0.98 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.6 m -136.52 152.45 50.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 42.0 t -140.83 126.67 19.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.129 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.7 m -133.91 141.29 47.29 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.141 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -45.45 -22.88 0.17 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.879 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 74.2 p -86.06 -56.66 3.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.147 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.8 p -143.89 169.89 16.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.163 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 27.2 m -124.38 160.31 29.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.128 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 76.9 m -136.13 132.44 36.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.142 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 87.3 mmm -119.26 150.23 40.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.915 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 15.5 ptt180 -127.8 158.8 36.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.88 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 14.4 p90 -162.08 169.92 20.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.919 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -121.69 150.86 56.25 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.576 0.703 . . . . 0.0 110.882 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 169.55 18.74 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.686 2.257 . . . . 0.0 112.296 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.66 147.17 62.91 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.682 2.255 . . . . 0.0 112.334 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -62.4 -50.64 70.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 1.9 t-160 -114.15 137.71 51.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.8 mt -127.16 96.33 3.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.171 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -132.24 47.59 1.0 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.521 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.482 ' O ' ' N ' ' A' ' 38' ' ' GLY . . . -151.16 106.85 3.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.784 0.325 . . . . 0.0 111.077 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.414 ' C ' ' O ' ' A' ' 36' ' ' ALA . . . 36.89 29.97 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.11 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.482 ' N ' ' O ' ' A' ' 36' ' ' ALA . . . 64.78 -152.71 50.4 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.467 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 21.4 tp -128.52 136.83 51.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.824 0.345 . . . . 0.0 110.925 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.424 ' O ' ' C ' ' A' ' 41' ' ' GLY . 65.8 m-20 -121.7 95.34 4.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.901 179.831 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.477 ' C ' ' CD1' ' A' ' 42' ' ' TYR . . . 36.26 -149.31 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.433 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.477 ' CD1' ' C ' ' A' ' 41' ' ' GLY . 2.5 m-85 -153.37 171.1 19.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.972 0.415 . . . . 0.0 110.903 -179.802 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 85.4 t -127.26 132.71 69.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.106 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.2 tt -128.61 139.05 52.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 64.3 mt-10 -147.54 147.77 30.47 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 30.1 p90 -128.27 132.08 48.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.902 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 15.2 t -99.29 122.74 42.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.897 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -72.39 166.48 22.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.916 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -76.46 128.18 34.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.856 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 83.17 15.93 70.77 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.518 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 71.3 p -123.48 127.43 48.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.721 0.295 . . . . 0.0 111.15 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -96.01 25.35 4.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.916 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -135.31 119.79 18.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.849 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . 0.479 ' CZ3' ' HG2' ' A' ' 81' ' ' ARG . 83.9 m95 -70.67 131.61 44.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.884 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 89.2 mt -91.73 130.21 41.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.107 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 98.5 t -78.9 118.96 27.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.117 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.517 ' HB2' ' CE1' ' A' ' 67' ' ' PHE . . . -85.38 -47.58 9.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.086 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 25.4 p-10 -90.34 133.37 35.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 2.4 tppp? -60.0 -64.58 0.9 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.915 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -110.78 -74.43 0.65 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.823 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 28.9 mt -141.85 158.25 44.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 41.9 mt -102.74 118.36 49.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.105 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -97.07 43.81 1.06 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.829 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 28.1 mtpt -157.1 159.39 37.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.902 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 5.2 p -87.81 8.51 25.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.162 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 14.3 mtmt -143.88 154.06 42.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.928 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.517 ' CE1' ' HB2' ' A' ' 57' ' ' ALA . 21.0 t80 -147.42 144.66 28.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.854 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 17.7 m -124.31 119.21 28.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.117 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 28.6 mt -79.05 103.21 5.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.156 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 65.2 p -82.35 135.95 35.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.155 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 90.03 61.26 1.35 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.501 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 13.6 mt -129.96 131.56 23.56 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.596 0.712 . . . . 0.0 110.966 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 164.33 34.95 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.701 2.268 . . . . 0.0 112.344 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.457 HG21 ' N ' ' A' ' 75' ' ' ASP . 83.8 m -84.71 163.84 18.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.127 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.457 ' N ' HG21 ' A' ' 74' ' ' THR . 0.3 OUTLIER 47.17 28.58 0.99 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.886 179.919 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -101.01 145.75 28.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.114 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 12.3 mmtp -111.75 121.09 44.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 9.2 pt -133.97 160.87 41.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.117 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 93.8 m-85 -109.8 133.54 53.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.848 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.437 HG23 ' CD1' ' A' ' 100' ' ' ILE . 96.3 t -108.42 137.64 39.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.114 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.479 ' HG2' ' CZ3' ' A' ' 54' ' ' TRP . 13.7 ptt180 -148.55 135.9 20.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.847 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 29.9 m -129.75 160.27 40.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.149 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 23.3 pttm -154.65 173.81 15.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.854 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -107.39 116.37 31.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.064 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 95.6 t -111.12 130.18 65.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.137 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . 0.446 ' N ' ' ND2' ' A' ' 86' ' ' ASN . 0.0 OUTLIER -139.43 173.62 11.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.879 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -51.55 -43.3 62.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.09 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -55.75 -61.22 2.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.073 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -170.93 -141.01 3.18 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.474 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -130.66 155.57 46.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.774 0.321 . . . . 0.0 111.124 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.8 m -102.22 168.96 9.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.859 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -65.41 144.73 99.04 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.642 0.734 . . . . 0.0 110.875 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 147.15 62.22 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.706 2.27 . . . . 0.0 112.311 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 25.5 tptt -122.93 112.44 17.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.933 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -101.51 139.6 36.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.927 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -65.66 167.37 9.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.916 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.2 t -68.75 -64.62 0.83 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.908 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -103.41 155.91 36.16 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.537 0.684 . . . . 0.0 110.914 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 146.29 59.61 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.68 2.254 . . . . 0.0 112.334 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.437 ' CD1' HG23 ' A' ' 80' ' ' VAL . 5.2 mp -88.85 110.83 21.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.125 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 16.1 tp -87.48 103.23 15.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.458 ' O ' ' CG2' ' A' ' 102' ' ' VAL . 0.7 OUTLIER -62.16 84.95 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.126 179.823 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . 0.429 ' HG3' ' N ' ' A' ' 104' ' ' GLU . 0.0 OUTLIER -136.43 149.56 48.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.853 179.927 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.466 ' OE2' ' N ' ' A' ' 105' ' ' SER . 0.5 OUTLIER -74.97 150.85 38.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 179.937 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' SER . . . . . 0.466 ' N ' ' OE2' ' A' ' 104' ' ' GLU . 68.7 m -162.78 117.18 1.74 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.855 -179.788 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 138.16 -162.86 25.69 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.49 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 148.32 64.97 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.682 2.255 . . . . 0.0 112.339 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 41.3 p -112.95 44.97 1.41 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.863 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 96.1 p -106.61 140.91 38.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.859 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.503 -179.982 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 90.4 p -105.77 149.65 26.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.913 0.387 . . . . 0.0 110.806 -179.743 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.6 p -131.53 129.25 40.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.872 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 164.36 164.15 18.97 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.506 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.0 t -111.65 -178.06 3.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.847 0.356 . . . . 0.0 110.866 -179.733 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.0 p -79.73 164.92 23.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.867 -179.799 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -105.32 -3.52 41.16 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.521 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -128.08 170.67 12.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.794 0.33 . . . . 0.0 111.123 -179.855 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 18.8 m -94.36 147.33 33.13 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.643 0.735 . . . . 0.0 110.867 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 169.59 18.51 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.717 2.278 . . . . 0.0 112.351 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 129.83 18.36 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.726 2.284 . . . . 0.0 112.376 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 43.1 p -120.32 179.54 4.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.132 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 16.7 mt 53.29 46.0 27.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -86.16 112.56 21.43 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.916 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 51.1 p -137.01 157.97 45.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.178 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 6.7 t -85.13 99.29 7.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.126 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -56.65 -60.95 2.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.861 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 15.8 p -146.18 154.91 42.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.819 -179.755 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 25.4 t -142.87 128.58 16.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.126 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -120.11 151.42 39.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.163 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -53.94 -17.17 2.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.865 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 3.0 p -98.12 -61.62 1.36 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.129 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 23.1 p -125.91 168.64 13.61 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.16 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.446 ' O ' ' CG2' ' A' ' 68' ' ' THR . 16.5 m -121.71 155.52 26.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.13 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 19.0 m -126.28 136.09 52.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.116 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 93.2 mmm -124.97 157.14 36.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.866 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 11.1 ptm180 -140.39 140.3 35.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.924 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 11.3 p90 -149.05 165.63 31.13 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.951 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 25.1 mtt180 -119.52 157.01 52.83 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.609 0.719 . . . . 0.0 110.812 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 169.14 19.69 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.632 2.222 . . . . 0.0 112.34 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.447 ' O ' ' C ' ' A' ' 32' ' ' ASP . 53.8 Cg_endo -69.78 144.82 55.12 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.656 2.237 . . . . 0.0 112.335 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.447 ' C ' ' O ' ' A' ' 31' ' ' PRO . 25.5 t0 -34.71 -39.41 0.09 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 26.2 t60 -160.3 170.91 20.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.426 ' CD1' ' HG2' ' A' ' 31' ' ' PRO . 43.0 mm -120.06 120.65 63.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.114 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -74.44 -172.79 28.8 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.51 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.423 ' O ' ' C ' ' A' ' 37' ' ' ALA . . . -59.69 -51.74 68.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.771 0.319 . . . . 0.0 111.099 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.423 ' C ' ' O ' ' A' ' 36' ' ' ALA . . . -35.55 -42.02 0.22 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.086 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 97.73 179.76 33.26 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.508 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.5 tp -133.78 134.4 42.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.792 0.33 . . . . 0.0 110.909 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -124.16 98.05 5.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.836 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.432 ' C ' ' CG ' ' A' ' 42' ' ' TYR . . . 41.76 -147.19 0.5 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.484 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.432 ' CG ' ' C ' ' A' ' 41' ' ' GLY . 2.2 m-85 -156.93 175.67 13.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.9 0.381 . . . . 0.0 110.935 -179.804 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 69.5 t -125.8 133.31 69.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.128 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.6 tt -136.31 131.46 34.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.924 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -144.59 170.81 15.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 6.0 p90 -139.48 140.52 37.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.875 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 4.7 t -110.39 91.16 3.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.9 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -49.67 157.71 0.53 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.825 -179.809 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -77.92 135.68 37.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.872 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 97.72 -44.3 1.85 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.473 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 19.3 p -68.89 -41.23 78.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.754 0.312 . . . . 0.0 111.153 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 67.82 26.43 7.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.879 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -133.0 142.2 48.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.88 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . 0.521 ' CZ3' ' HG2' ' A' ' 81' ' ' ARG . 88.7 m95 -87.75 110.59 20.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 17.4 mt -83.91 138.98 18.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.121 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 70.5 t -71.67 112.88 7.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.11 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.511 ' HB1' ' CE1' ' A' ' 67' ' ' PHE . . . -80.05 -64.15 1.25 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.083 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.482 ' HB3' ' CE2' ' A' ' 67' ' ' PHE . 7.5 p-10 -84.31 98.11 9.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.918 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 34.0 ttmt -44.66 -34.53 2.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.427 ' O ' ' C ' ' A' ' 61' ' ' LEU . 10.7 m-20 -128.49 147.17 50.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.866 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.427 ' C ' ' O ' ' A' ' 60' ' ' ASP . 35.1 mt -34.74 142.65 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 10.2 mt -90.68 139.81 17.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.159 179.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -103.98 -49.24 3.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.829 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 26.8 mmtt -69.28 166.56 18.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.921 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 44.4 p -94.84 35.62 1.24 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.164 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 18.1 ttmt -160.38 143.42 13.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.511 ' CE1' ' HB1' ' A' ' 57' ' ' ALA . 51.8 t80 -142.94 156.71 44.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.889 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.446 ' CG2' ' O ' ' A' ' 24' ' ' VAL . 93.6 m -139.46 130.42 26.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.154 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 20.9 mt -86.45 120.44 36.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.103 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 40.9 p -97.92 128.99 44.86 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.151 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 95.01 72.78 1.17 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.49 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 51.1 mt -137.96 135.32 18.61 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.684 0.754 . . . . 0.0 110.871 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.445 ' O ' ' CG1' ' A' ' 102' ' ' VAL . 53.5 Cg_endo -69.75 153.51 68.89 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.644 2.23 . . . . 0.0 112.34 179.849 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 43.2 m -79.56 144.39 33.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.154 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 39.0 t70 66.87 37.55 4.0 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.81 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -119.33 149.81 41.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.128 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 2.8 mtmp? -111.88 125.23 53.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 2.8 pp -129.52 153.89 39.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.097 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 89.3 m-85 -101.47 136.41 41.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.907 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 71.8 t -117.08 131.98 68.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.119 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.521 ' HG2' ' CZ3' ' A' ' 54' ' ' TRP . 0.2 OUTLIER -146.42 124.96 12.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 10.2 m -105.88 161.01 5.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.153 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 19.8 ttpt -154.88 148.77 25.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -101.65 142.11 33.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.119 179.792 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 2.8 t -132.37 132.64 60.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.139 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . 0.489 ' N ' ' ND2' ' A' ' 86' ' ' ASN . 0.0 OUTLIER -146.52 -178.52 6.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.866 -179.961 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -47.13 -50.51 20.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.094 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -53.62 -25.82 19.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.117 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 140.11 -116.98 1.24 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.527 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -144.42 155.77 43.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.817 0.341 . . . . 0.0 111.089 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 92.6 p -101.15 169.59 8.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.859 -179.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -65.72 141.8 97.92 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.668 0.747 . . . . 0.0 110.871 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 145.76 57.98 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.692 2.262 . . . . 0.0 112.353 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 38.9 tptt -103.27 99.35 9.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.886 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -81.83 133.7 35.35 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.933 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . 0.502 ' CD1' ' O ' ' A' ' 98' ' ' GLN . 1.9 t80 -77.1 129.68 36.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 30.7 t -42.0 -72.37 0.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.825 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . 0.502 ' O ' ' CD1' ' A' ' 96' ' ' TYR . 3.6 pt20 -103.83 148.77 36.34 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.549 0.69 . . . . 0.0 110.919 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 158.51 56.72 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.7 2.267 . . . . 0.0 112.327 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 11.3 mt -100.04 139.35 21.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.109 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.497 ' O ' ' N ' ' A' ' 103' ' ' LYS . 9.8 tp -107.07 99.12 8.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.445 ' CG1' ' O ' ' A' ' 73' ' ' PRO . 7.3 p -50.72 86.55 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.125 179.83 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . 0.497 ' N ' ' O ' ' A' ' 101' ' ' LEU . 35.8 tptt -140.94 155.37 46.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.867 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -97.78 147.67 24.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.887 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' SER . . . . . 0.445 ' O ' ' C ' ' A' ' 106' ' ' GLY . 31.5 t -107.31 98.63 8.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.841 -179.743 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . 0.445 ' C ' ' O ' ' A' ' 105' ' ' SER . . . -34.38 145.83 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.489 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 171.94 13.52 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.709 2.273 . . . . 0.0 112.353 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 3.6 m -169.34 148.12 3.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.874 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 67.4 m -52.29 136.77 30.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.851 -179.788 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.473 -179.976 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.451 -0.26 . . . . 0.0 112.451 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.8 t -171.18 154.41 4.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.845 0.355 . . . . 0.0 110.882 -179.758 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.8 t -49.84 124.34 9.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.894 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -104.34 72.62 0.25 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.47 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.4 t -122.36 96.52 5.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.859 0.361 . . . . 0.0 110.828 -179.727 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.1 t -108.5 160.18 16.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.855 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -113.4 41.11 2.3 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.459 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.6 p -140.58 145.88 37.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.804 0.335 . . . . 0.0 111.154 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.5 m -80.13 149.64 70.04 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.647 0.737 . . . . 0.0 110.865 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 160.15 50.78 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.67 2.247 . . . . 0.0 112.336 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 131.66 21.64 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.672 2.248 . . . . 0.0 112.316 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 69.8 p -114.87 -178.81 3.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.122 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 19.4 mt 57.01 37.05 28.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.949 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -83.39 108.98 16.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.947 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 35.5 m -143.61 154.5 43.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.138 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 11.1 t -76.34 104.31 4.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.147 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -53.2 -61.07 2.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.897 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.2 m -155.96 150.05 25.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.859 -179.77 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 54.8 t -129.27 148.06 33.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.13 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.412 ' C ' ' N ' ' A' ' 22' ' ' THR . 19.6 m -147.24 148.16 31.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.132 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 85.2 m-20 -44.0 -22.66 0.06 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.855 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.412 ' N ' ' C ' ' A' ' 20' ' ' THR . 23.8 p -81.4 -69.64 0.59 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.145 -179.876 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.408 ' CG2' ' HA ' ' A' ' 70' ' ' THR . 71.4 p -141.27 168.93 18.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.131 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 35.2 m -105.83 153.73 7.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.136 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 29.1 m -129.09 126.54 39.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.149 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 28.5 mmm -118.19 163.3 16.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.89 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 10.4 ptm180 -146.56 151.45 37.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.893 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 27.2 p90 -160.52 176.73 11.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.927 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 19.2 mtt180 -131.57 158.05 76.43 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.639 0.733 . . . . 0.0 110.876 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 169.74 18.17 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.715 2.277 . . . . 0.0 112.334 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.429 ' O ' ' C ' ' A' ' 32' ' ' ASP . 53.7 Cg_endo -69.74 141.44 45.3 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.712 2.275 . . . . 0.0 112.354 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.429 ' C ' ' O ' ' A' ' 31' ' ' PRO . 10.8 m-20 -35.36 -51.84 0.61 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.864 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 50.2 m80 -131.53 159.45 38.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.832 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 2.6 mm -110.94 107.41 22.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.136 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -47.4 173.53 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.49 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.98 -36.67 84.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.79 0.329 . . . . 0.0 111.058 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -53.86 -32.17 52.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.155 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 82.22 118.15 0.52 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.498 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -76.3 140.06 41.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.847 0.356 . . . . 0.0 110.888 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -118.98 94.09 4.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.806 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 46.93 -156.48 0.64 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.511 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.483 ' N ' ' CD1' ' A' ' 42' ' ' TYR . 0.1 OUTLIER -146.38 177.35 9.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.955 0.407 . . . . 0.0 110.921 -179.826 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 19.9 t -133.86 131.82 56.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.144 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.3 tt -119.6 137.96 53.52 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.918 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -141.82 147.13 36.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.881 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 13.7 p90 -129.12 138.71 51.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.89 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.525 ' HB2' ' CE3' ' A' ' 54' ' ' TRP . 12.0 t -109.53 116.64 32.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.941 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -67.2 163.27 20.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.927 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -66.61 -43.55 84.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.897 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -92.57 57.82 2.64 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.518 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 2.9 p -152.04 166.38 31.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.757 0.313 . . . . 0.0 111.147 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -124.02 4.22 8.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.907 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -143.95 144.99 31.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.839 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . 0.525 ' CE3' ' HB2' ' A' ' 47' ' ' CYS . 96.5 m95 -66.17 157.96 29.96 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.957 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 12.2 mt -119.59 145.0 26.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.141 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 73.6 t -94.35 126.44 46.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.11 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -91.95 -43.37 9.49 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.11 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 8.2 p-10 -82.13 158.85 23.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.847 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 10.0 tppt? -84.45 -51.77 6.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.917 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -125.57 -65.7 0.99 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.864 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 23.6 mt -144.96 171.74 14.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.919 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 52.6 mt -116.75 102.31 13.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.107 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -64.58 -61.41 2.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 6.2 mtpm? -65.78 154.49 38.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 81.5 p -87.94 40.79 0.96 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.165 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 14.5 ttmt -160.13 140.93 12.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.862 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.508 ' CD1' ' N ' ' A' ' 68' ' ' THR . 10.2 t80 -137.67 156.1 48.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.893 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.508 ' N ' ' CD1' ' A' ' 67' ' ' PHE . 40.0 m -140.21 111.19 6.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.121 -179.887 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 46.6 mt -67.13 105.17 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.162 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.408 ' HA ' ' CG2' ' A' ' 23' ' ' THR . 35.9 p -82.73 131.58 35.2 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.12 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 91.21 71.84 1.22 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.483 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 10.9 mt -131.23 125.66 21.05 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.63 0.728 . . . . 0.0 110.918 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 128.54 16.21 Favored 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 122.714 2.276 . . . . 0.0 112.356 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.439 ' O ' ' CG ' ' A' ' 75' ' ' ASP . 89.7 m -50.57 159.29 0.53 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.112 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.439 ' CG ' ' O ' ' A' ' 74' ' ' THR . 1.2 p30 46.33 47.44 13.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.886 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -126.93 142.4 51.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.086 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 64.2 mttt -102.64 141.18 35.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.418 HD12 ' C ' ' A' ' 78' ' ' ILE . 2.8 pp -148.14 -179.58 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.091 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 69.1 m-85 -127.97 149.57 50.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.857 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 96.7 t -128.4 120.99 54.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.118 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.603 ' NE ' ' CD1' ' A' ' 95' ' ' TYR . 34.2 mmt-85 -130.03 132.22 46.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.856 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 22.5 m -126.34 137.73 56.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.157 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 28.6 pttt -139.15 136.07 34.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.934 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -66.96 125.46 26.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.1 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 97.8 t -111.38 116.31 52.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.134 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . 0.476 ' N ' ' ND2' ' A' ' 86' ' ' ASN . 0.1 OUTLIER -123.12 174.2 7.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.874 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.21 -39.24 93.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.052 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -69.15 -52.1 31.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.052 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -179.17 177.24 48.33 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.504 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -102.11 159.28 15.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.785 0.326 . . . . 0.0 111.131 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.3 t -102.72 161.84 13.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.85 -179.784 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 19.4 pt-20 -47.52 143.3 5.66 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.703 0.764 . . . . 0.0 110.863 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 138.3 37.6 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.741 2.294 . . . . 0.0 112.316 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 12.8 tptp -86.54 111.4 20.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.91 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . 0.603 ' CD1' ' NE ' ' A' ' 81' ' ' ARG . 31.1 m-85 -93.59 108.09 19.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.956 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . 0.409 ' CD1' ' N ' ' A' ' 97' ' ' SER . 2.5 t80 -62.07 137.22 58.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.924 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' SER . . . . . 0.409 ' N ' ' CD1' ' A' ' 96' ' ' TYR . 30.5 t -40.99 -74.88 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.836 -179.847 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 -106.54 154.63 39.83 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.603 0.716 . . . . 0.0 110.877 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 154.64 67.6 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.68 2.253 . . . . 0.0 112.338 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.452 ' N ' ' CD1' ' A' ' 100' ' ' ILE . 2.6 mp -92.53 127.37 44.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.118 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 16.7 tp -103.01 115.95 31.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.903 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 7.2 p -65.97 76.45 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.13 179.797 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 20.3 tptp -139.15 142.21 38.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.89 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.431 ' HG2' ' N ' ' A' ' 105' ' ' SER . 40.5 tt0 -62.56 164.9 6.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.865 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' SER . . . . . 0.431 ' N ' ' HG2' ' A' ' 104' ' ' GLU . 33.0 t -124.87 86.94 2.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 -179.84 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -62.16 145.66 49.34 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.508 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 104.89 1.39 Allowed 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.679 2.253 . . . . 0.0 112.305 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 81.6 p -59.3 133.91 56.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.853 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 84.5 p -146.65 148.34 31.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.869 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.461 -179.957 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.366 0 N-CA-C 112.523 -0.231 . . . . 0.0 112.523 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 93.0 p -112.28 153.72 26.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.861 0.363 . . . . 0.0 110.915 -179.804 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.0 t -63.37 141.11 58.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 175.86 -119.31 0.7 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.521 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.7 m -48.46 128.93 15.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.878 0.37 . . . . 0.0 110.887 -179.734 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.4 m -70.43 178.27 3.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.83 -179.754 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -83.77 -21.33 57.98 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.512 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -102.42 173.09 6.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.796 0.331 . . . . 0.0 111.146 -179.89 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 9.2 t -90.62 142.22 27.75 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.657 0.742 . . . . 0.0 110.92 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 169.72 18.18 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.699 2.266 . . . . 0.0 112.352 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 129.52 17.71 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.666 2.244 . . . . 0.0 112.333 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 57.1 p -110.44 -178.33 3.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.125 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 29.8 mt 50.31 48.82 21.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.87 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -83.61 111.53 19.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.461 ' CG2' ' N ' ' A' ' 16' ' ' VAL . 4.7 m -151.87 155.89 39.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.127 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.461 ' N ' ' CG2' ' A' ' 15' ' ' THR . 21.8 t -71.61 141.41 16.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.126 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -100.64 -45.09 5.62 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.851 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.7 t -153.91 159.1 41.61 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.831 -179.726 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 90.5 t -147.99 130.58 7.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.139 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -125.86 176.32 7.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.101 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 35.8 p-10 -82.99 4.78 24.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.873 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.2 p -121.37 -47.56 2.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.136 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 44.8 p -145.95 160.63 41.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.127 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.426 ' CG2' HD11 ' A' ' 69' ' ' ILE . 13.3 m -117.53 147.1 21.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.102 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 5.2 m -113.51 147.26 38.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.179 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 91.0 mmm -130.94 159.96 35.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.913 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 8.0 ptm180 -148.75 154.78 40.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.866 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 27.0 p90 -160.38 177.9 10.12 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.943 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.464 ' HG3' ' N ' ' A' ' 30' ' ' PRO . 0.1 OUTLIER -123.33 143.21 40.61 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.642 0.734 . . . . 0.0 110.861 -179.949 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.464 ' N ' ' HG3' ' A' ' 29' ' ' ARG . 53.5 Cg_endo -69.77 165.62 30.36 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.698 2.265 . . . . 0.0 112.315 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 139.03 39.19 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.68 2.253 . . . . 0.0 112.329 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -55.43 -41.92 73.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.858 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 15.2 t60 -113.01 163.97 14.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 16.8 mm -128.64 126.4 65.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.12 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -56.15 149.0 27.74 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.457 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -47.32 -42.29 20.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.76 0.314 . . . . 0.0 111.062 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.39 -37.34 80.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.11 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 113.59 173.62 18.58 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.491 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 9.5 tp -115.1 137.37 52.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.804 0.335 . . . . 0.0 110.924 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -122.99 95.72 4.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.866 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.415 ' C ' ' CG ' ' A' ' 42' ' ' TYR . . . 38.88 -147.42 0.13 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.492 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.415 ' CG ' ' C ' ' A' ' 41' ' ' GLY . 1.1 m-85 -154.62 170.49 21.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.945 0.402 . . . . 0.0 110.895 -179.787 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 59.7 t -124.62 128.34 73.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.166 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.427 ' O ' ' CG ' ' A' ' 45' ' ' GLU . 9.5 tt -120.07 158.39 26.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.427 ' CG ' ' O ' ' A' ' 44' ' ' LEU . 28.4 mt-10 -161.1 173.49 15.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.921 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 21.8 p90 -149.83 137.02 19.7 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.906 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.56 ' HB2' ' CE3' ' A' ' 54' ' ' TRP . 19.2 t -107.65 104.1 13.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.881 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -61.8 141.36 57.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.92 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -51.57 140.26 18.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.899 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 90.35 -49.98 3.26 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.509 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 64.7 p -79.17 120.08 23.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.725 0.298 . . . . 0.0 111.168 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 22.2 tp10 -87.14 26.75 1.13 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.916 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -124.92 119.87 30.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.888 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . 0.56 ' CE3' ' HB2' ' A' ' 47' ' ' CYS . 96.6 m95 -64.26 128.48 35.97 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.893 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 5.2 mp -96.26 123.55 48.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.109 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 92.7 t -67.84 122.47 19.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.121 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -89.17 -51.22 5.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.078 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.471 ' HB3' ' CE1' ' A' ' 67' ' ' PHE . 11.9 p-10 -108.75 125.55 52.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.864 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 11.3 ttpp -73.43 -45.25 55.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.845 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -102.07 156.68 17.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.876 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 13.9 mt -46.49 156.08 0.2 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.948 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 52.0 mt -104.78 112.34 38.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.117 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -91.31 33.79 0.97 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.85 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 7.7 mmtp -142.36 150.57 40.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.881 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 2.0 p -81.53 9.57 7.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.122 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 5.2 mtmp? -140.5 167.21 22.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.854 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.471 ' CE1' ' HB3' ' A' ' 58' ' ' ASN . 55.4 t80 -161.75 143.78 11.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.857 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 79.8 m -127.28 123.42 36.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.127 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.426 HD11 ' CG2' ' A' ' 24' ' ' VAL . 17.1 mt -79.89 129.67 37.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.153 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 82.6 p -107.07 134.64 49.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.155 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 91.14 62.53 1.22 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.482 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 26.0 mt -127.7 131.52 23.86 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.575 0.703 . . . . 0.0 110.918 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.402 ' O ' ' CG1' ' A' ' 102' ' ' VAL . 54.1 Cg_endo -69.7 156.23 64.05 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.701 2.268 . . . . 0.0 112.366 179.828 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 71.2 m -79.44 140.97 37.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.202 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 8.8 t70 65.33 48.48 2.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.899 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -132.51 144.23 50.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.115 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 21.4 mtpt -102.16 135.7 43.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 2.5 pp -140.65 154.11 21.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.149 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 64.2 m-85 -98.61 161.54 13.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.876 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.494 ' O ' ' NE ' ' A' ' 81' ' ' ARG . 65.9 t -140.93 116.43 6.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.149 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.516 ' CG ' ' CH2' ' A' ' 54' ' ' TRP . 16.1 mmp_? -121.83 125.55 46.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.847 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 34.1 m -119.0 129.73 74.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.113 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 20.4 pttt -134.09 165.04 25.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.878 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -101.98 124.14 47.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.105 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 59.4 t -117.33 121.85 68.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.135 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -147.15 179.87 7.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -42.63 -57.35 2.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.102 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -43.48 -51.12 6.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.115 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 162.84 -125.5 1.41 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.493 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -141.7 151.14 42.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.778 0.323 . . . . 0.0 111.155 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 21.6 m -101.12 154.9 18.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.863 -179.77 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -51.69 148.41 9.92 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.611 0.72 . . . . 0.0 110.919 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 134.11 27.04 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.685 2.257 . . . . 0.0 112.295 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 9.1 tmtt? -90.52 108.87 20.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.922 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . 0.469 ' HA ' ' NE ' ' A' ' 81' ' ' ARG . 74.7 m-85 -82.16 105.96 13.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.915 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . 0.596 ' CD2' ' O ' ' A' ' 98' ' ' GLN . 9.7 t80 -51.7 152.12 3.0 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.951 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 12.5 m -52.84 -69.9 0.1 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.844 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . 0.596 ' O ' ' CD2' ' A' ' 96' ' ' TYR . 10.2 mm100 -117.56 151.43 48.29 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.574 0.702 . . . . 0.0 110.931 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 162.11 43.31 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.708 2.272 . . . . 0.0 112.342 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.422 HG12 ' CG2' ' A' ' 16' ' ' VAL . 12.1 mt -101.56 147.79 8.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.111 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.485 ' O ' ' N ' ' A' ' 103' ' ' LYS . 25.8 tp -121.8 99.69 6.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.402 ' CG1' ' O ' ' A' ' 73' ' ' PRO . 7.3 p -49.18 87.77 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.11 179.841 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . 0.485 ' N ' ' O ' ' A' ' 101' ' ' LEU . 20.6 tptm -144.32 147.68 33.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.911 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -80.89 159.9 24.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.864 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 4.8 m -106.53 66.32 0.69 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.851 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 166.29 74.38 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.508 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -6.9 19.73 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.687 2.258 . . . . 0.0 112.311 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 2.9 t -65.71 113.01 3.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.905 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 12.1 t -127.73 151.94 48.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.886 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.502 -179.961 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.2 p -170.69 153.8 4.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.901 0.381 . . . . 0.0 110.841 -179.736 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.9 t -96.06 -56.91 2.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.862 -179.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 121.77 -81.4 0.34 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.471 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.9 t -170.93 126.16 0.69 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.917 0.389 . . . . 0.0 110.913 -179.737 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 93.6 p -66.63 -11.34 53.23 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.881 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.42 -51.81 2.4 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.484 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.8 m -87.73 161.2 17.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.759 0.314 . . . . 0.0 111.179 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.2 m -88.32 149.88 45.72 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.627 0.727 . . . . 0.0 110.898 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.75 168.49 21.4 Favored 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.704 2.269 . . . . 0.0 112.358 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 133.36 25.33 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.696 2.264 . . . . 0.0 112.33 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 66.4 p -122.14 174.38 6.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.106 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 12.8 mt 54.38 49.81 17.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.95 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -82.22 126.29 31.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.933 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.474 ' CG2' ' N ' ' A' ' 16' ' ' VAL . 4.5 m -149.92 156.93 42.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.155 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.474 ' N ' ' CG2' ' A' ' 15' ' ' THR . 10.5 t -81.28 108.78 14.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.165 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -57.57 -48.46 79.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.905 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.5 t -157.34 174.65 15.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 76.0 t -150.74 132.28 5.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.119 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.48 ' O ' ' N ' ' A' ' 22' ' ' THR . 2.9 m -140.28 132.15 27.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.147 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 16.5 p30 -39.55 -25.79 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.885 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.48 ' N ' ' O ' ' A' ' 20' ' ' THR . 72.8 p -83.0 -49.71 9.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.179 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 39.1 p -151.95 169.48 22.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.14 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 33.8 m -119.75 151.45 22.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.146 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.9 m -118.99 124.88 48.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.166 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 95.8 mmm -123.45 134.72 53.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.907 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 25.1 ptt180 -126.38 161.06 28.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.867 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.525 ' CD2' ' O ' ' A' ' 65' ' ' THR . 40.1 p90 -145.36 177.25 8.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.931 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 8.2 mmm180 -117.77 151.25 48.36 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.616 0.722 . . . . 0.0 110.851 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 153.13 69.15 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.697 2.265 . . . . 0.0 112.301 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 138.46 37.77 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.679 2.253 . . . . 0.0 112.356 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 15.5 t0 -53.02 -41.62 64.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.853 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.403 ' ND1' ' N ' ' A' ' 34' ' ' ILE . 63.9 t-80 -111.89 157.55 20.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.849 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.403 ' N ' ' ND1' ' A' ' 33' ' ' HIS . 25.6 mm -125.51 94.93 2.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.15 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -41.3 144.87 0.63 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.484 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -38.74 -57.76 1.16 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.789 0.328 . . . . 0.0 111.116 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -38.5 -43.8 0.88 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.07 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 98.83 125.84 5.46 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.476 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 5.1 tp -76.6 124.46 27.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.863 0.363 . . . . 0.0 110.915 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.428 ' OD1' ' N ' ' A' ' 40' ' ' ASP . 0.2 OUTLIER -111.76 95.28 5.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 179.841 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.633 ' C ' ' CD1' ' A' ' 42' ' ' TYR . . . 58.83 -145.27 43.48 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.481 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.633 ' CD1' ' C ' ' A' ' 41' ' ' GLY . 3.9 m-85 -156.63 -175.09 5.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.92 0.39 . . . . 0.0 110.93 -179.794 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 94.7 t -140.69 135.65 34.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.13 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.53 HD21 ' CD1' ' A' ' 67' ' ' PHE . 5.6 tp -110.09 153.99 23.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.935 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -157.17 142.47 17.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.915 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 8.6 p90 -142.0 136.02 29.87 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.969 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.523 ' HB2' ' CD2' ' A' ' 54' ' ' TRP . 1.5 t -108.96 115.42 30.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.895 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -62.8 164.36 8.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.892 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -72.64 -51.71 18.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.893 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.426 ' O ' ' CG2' ' A' ' 51' ' ' THR . . . -79.03 46.04 2.88 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.481 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.426 ' CG2' ' O ' ' A' ' 50' ' ' GLY . 72.3 p -158.43 164.99 35.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.81 0.338 . . . . 0.0 111.12 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -122.77 15.13 10.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.937 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 41.1 m-20 -125.65 155.26 41.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.854 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . 0.523 ' CD2' ' HB2' ' A' ' 47' ' ' CYS . 75.6 m95 -100.65 110.66 22.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.945 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 12.0 mt -76.48 137.37 22.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.129 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 92.8 t -89.27 119.9 37.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.134 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -74.42 -57.98 3.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.057 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.439 HD22 ' N ' ' A' ' 61' ' ' LEU . 47.0 t30 -74.22 171.19 14.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 -179.868 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 24.1 tptt -113.96 -67.72 0.98 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -102.13 -73.03 0.67 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.813 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.439 ' N ' HD22 ' A' ' 58' ' ' ASN . 0.7 OUTLIER -152.81 135.68 15.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.92 -179.943 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 8.7 mt -87.34 107.15 16.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.125 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -53.91 -41.45 67.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.839 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 27.2 mtmt -81.02 162.12 23.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.923 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.525 ' O ' ' CD2' ' A' ' 28' ' ' TRP . 11.0 p -87.27 16.92 4.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.169 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.469 ' HA ' ' CZ3' ' A' ' 28' ' ' TRP . 4.6 ptpp? -144.72 -177.77 5.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.892 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.574 ' CD1' ' N ' ' A' ' 68' ' ' THR . 12.0 t80 -165.52 153.04 10.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.877 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.574 ' N ' ' CD1' ' A' ' 67' ' ' PHE . 85.9 m -129.23 118.05 21.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.143 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 18.2 mt -73.5 109.33 5.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.127 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 30.4 p -85.35 133.63 34.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.138 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 86.34 77.27 1.23 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.468 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 30.9 mt -136.4 133.34 19.26 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.633 0.73 . . . . 0.0 110.856 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.411 ' HG2' ' CB ' ' A' ' 76' ' ' ALA . 53.7 Cg_endo -69.84 131.37 21.0 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.685 2.257 . . . . 0.0 112.287 179.867 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 25.6 m -60.39 138.47 57.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.098 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 22.3 t70 68.57 42.8 1.45 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.411 ' CB ' ' HG2' ' A' ' 73' ' ' PRO . . . -122.11 139.51 53.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.104 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 50.7 mttt -99.03 127.54 44.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 8.0 pt -138.78 163.34 27.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.132 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 67.9 m-85 -101.3 162.33 12.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.834 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 90.1 t -144.81 127.8 11.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.147 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.554 ' CD ' ' CE1' ' A' ' 95' ' ' TYR . 4.7 mtm105 -144.23 131.36 20.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 3.4 m -119.67 149.37 22.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.159 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -150.57 154.6 37.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.925 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -81.35 138.29 35.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.144 179.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 96.3 t -136.1 126.8 42.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.175 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -145.22 -179.89 6.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -44.95 -50.3 10.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.087 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -51.63 -55.49 19.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.098 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 173.36 -138.02 4.4 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.482 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -128.87 170.83 12.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.84 0.352 . . . . 0.0 111.101 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 58.3 p -112.95 169.33 9.0 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.858 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -61.58 143.32 93.7 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.592 0.711 . . . . 0.0 110.913 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 145.66 57.79 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.71 2.273 . . . . 0.0 112.288 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 6.7 tmtm? -106.99 123.88 48.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.915 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . 0.554 ' CE1' ' CD ' ' A' ' 81' ' ' ARG . 6.9 m-85 -104.12 114.59 28.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.865 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . 0.454 ' CD2' ' N ' ' A' ' 97' ' ' SER . 27.3 t80 -60.38 171.14 1.13 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.962 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' SER . . . . . 0.454 ' N ' ' CD2' ' A' ' 96' ' ' TYR . 64.9 m -73.42 -73.57 0.21 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.842 -179.841 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -102.65 149.58 36.88 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.58 0.705 . . . . 0.0 110.943 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 137.34 35.29 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.689 2.259 . . . . 0.0 112.328 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 3.8 mp -79.7 131.67 33.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.141 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 11.5 tp -109.95 104.02 12.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.878 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 3.6 p -53.62 94.79 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.102 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 31.8 tptt -144.99 148.4 33.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.526 ' CD ' ' N ' ' A' ' 105' ' ' SER . 16.6 tm-20 -91.87 164.21 13.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.964 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' SER . . . . . 0.526 ' N ' ' CD ' ' A' ' 104' ' ' GLU . 4.4 m -118.95 79.38 1.39 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.881 -179.803 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . 0.491 ' N ' ' OE1' ' A' ' 104' ' ' GLU . . . -116.19 84.09 0.36 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.511 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -34.94 13.61 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.69 2.26 . . . . 0.0 112.329 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 83.8 p -155.01 123.02 5.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.916 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 8.1 t -82.69 125.72 31.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.827 -179.793 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.531 179.98 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.2 t -73.77 -51.56 16.05 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.871 0.367 . . . . 0.0 110.855 -179.73 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 70.4 m -115.25 154.42 29.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.91 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -153.05 66.43 0.33 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.51 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 83.8 p -140.43 120.53 13.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.874 0.369 . . . . 0.0 110.88 -179.761 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.7 t -134.96 161.51 35.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.803 -179.788 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -77.95 -37.29 29.77 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.443 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.6 m -86.37 164.19 17.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.816 0.341 . . . . 0.0 111.125 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 39.9 m -93.22 149.45 37.45 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.661 0.743 . . . . 0.0 110.858 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 169.9 17.82 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.731 2.287 . . . . 0.0 112.364 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 130.29 19.05 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.689 2.26 . . . . 0.0 112.338 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 79.6 p -110.96 -175.33 2.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.099 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 29.9 mt 47.3 48.96 15.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.916 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.462 ' CD1' ' CD2' ' A' ' 96' ' ' TYR . 2.4 tm? -81.75 110.53 17.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.916 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.5 t -145.44 158.06 43.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.109 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 4.6 t -89.09 120.07 37.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.146 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -77.45 -60.18 2.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.865 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.2 t -126.76 166.54 17.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.857 -179.74 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 53.0 t -157.14 120.55 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.172 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -120.96 152.11 38.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.145 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -60.25 -10.78 5.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.845 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -105.52 -48.77 3.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.175 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.438 ' CG2' ' HA ' ' A' ' 70' ' ' THR . 58.1 p -135.09 163.11 30.64 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.165 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 4.6 m -130.18 130.89 65.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.144 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 37.9 m -102.01 144.95 29.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.134 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 77.8 mmm -132.06 134.47 45.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.864 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 9.5 ptt180 -115.4 151.35 34.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.88 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.477 ' CD2' ' O ' ' A' ' 65' ' ' THR . 11.7 p90 -159.1 167.56 28.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.899 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.469 ' HG3' ' N ' ' A' ' 30' ' ' PRO . 0.7 OUTLIER -119.77 143.2 34.52 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.553 0.692 . . . . 0.0 110.899 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.469 ' N ' ' HG3' ' A' ' 29' ' ' ARG . 53.5 Cg_endo -69.81 168.9 20.3 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.663 2.242 . . . . 0.0 112.33 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 136.65 33.66 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.71 2.273 . . . . 0.0 112.355 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -40.88 -44.56 2.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.874 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 5.2 t-80 -125.14 162.16 25.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.856 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.424 ' O ' ' C ' ' A' ' 35' ' ' GLY . 3.2 mm -123.52 102.99 12.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.111 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.424 ' C ' ' O ' ' A' ' 34' ' ' ILE . . . -36.02 143.89 0.11 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.496 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.417 ' C ' ' O ' ' A' ' 35' ' ' GLY . . . -36.75 -47.98 0.7 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.735 0.303 . . . . 0.0 111.11 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -42.67 -48.56 5.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.12 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 115.42 160.94 12.84 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.518 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.6 tp -106.63 127.55 53.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.819 0.343 . . . . 0.0 110.918 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -121.77 94.85 4.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.844 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 46.41 -160.7 0.23 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.495 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.432 ' CD1' ' N ' ' A' ' 42' ' ' TYR . 0.3 OUTLIER -148.71 163.76 36.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.936 0.398 . . . . 0.0 110.918 -179.783 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 98.9 t -107.99 136.76 42.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.154 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.9 tt -134.56 129.31 34.84 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.945 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -137.21 148.43 46.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 6.4 p90 -127.11 141.79 51.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.955 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 19.9 t -111.83 103.22 11.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.909 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -60.06 152.91 22.9 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -64.54 136.39 56.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 94.8 -35.41 4.25 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.528 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 50.3 p -88.65 123.02 32.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.718 0.294 . . . . 0.0 111.173 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.6 mp0 -89.02 29.71 1.02 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.894 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -130.64 132.68 45.59 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.822 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . 0.56 ' CH2' ' HG2' ' A' ' 81' ' ' ARG . 83.5 m95 -79.99 117.54 20.92 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 16.8 mt -88.25 131.51 35.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.122 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 84.8 t -79.15 124.42 37.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.138 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.499 ' HB2' ' CZ ' ' A' ' 67' ' ' PHE . . . -86.17 -60.53 1.98 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.087 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 13.1 p-10 -70.38 143.25 51.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.847 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -72.47 -60.77 2.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.915 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -115.92 -73.57 0.64 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.858 179.84 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 7.3 mt -142.8 154.4 44.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.908 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 14.7 mt -99.59 110.68 27.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.147 179.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -64.41 -60.02 3.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.842 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 66.2 mttt -75.27 157.49 34.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.477 ' O ' ' CD2' ' A' ' 28' ' ' TRP . 29.8 p -81.74 7.06 13.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.132 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -121.56 143.18 49.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.938 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.499 ' CZ ' ' HB2' ' A' ' 57' ' ' ALA . 25.1 t80 -138.15 145.6 41.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.893 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 91.9 m -133.57 127.66 33.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.203 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 10.7 mt -93.25 128.28 44.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.154 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.438 ' HA ' ' CG2' ' A' ' 23' ' ' THR . 25.5 p -104.5 140.01 38.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.155 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 86.06 63.7 1.51 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.46 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 61.3 mt -125.12 128.78 24.72 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.65 0.738 . . . . 0.0 110.913 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 128.54 16.22 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.737 2.291 . . . . 0.0 112.376 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 22.7 m -54.55 155.87 3.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.147 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 54.74 35.28 23.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -114.8 130.67 56.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.087 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 40.6 mttm -95.99 121.89 38.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.927 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 2.1 pp -134.89 157.16 40.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.192 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -101.92 160.74 14.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.84 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.45 ' O ' ' NE ' ' A' ' 81' ' ' ARG . 79.7 t -141.63 115.97 5.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.17 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.56 ' HG2' ' CH2' ' A' ' 54' ' ' TRP . 15.5 mmp_? -118.68 136.8 53.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.854 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 7.9 m -128.8 134.61 64.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.1 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.434 ' NZ ' ' O ' ' A' ' 91' ' ' SER . 0.0 OUTLIER -132.99 174.25 10.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.895 179.902 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -110.58 142.26 42.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.076 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 18.1 t -139.04 123.64 20.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.143 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . 0.422 ' O ' ' C ' ' A' ' 87' ' ' ALA . 2.1 p30 -147.97 170.04 18.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.939 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.422 ' C ' ' O ' ' A' ' 86' ' ' ASN . . . -36.33 -41.73 0.29 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.065 179.87 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -56.69 -62.06 2.0 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.105 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 178.32 -132.87 2.01 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.455 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -135.81 150.11 49.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.754 0.312 . . . . 0.0 111.066 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' SER . . . . . 0.434 ' O ' ' NZ ' ' A' ' 83' ' ' LYS . 12.7 t -108.14 162.54 13.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.84 -179.799 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -65.7 141.38 97.76 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.61 0.719 . . . . 0.0 110.893 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 145.08 55.99 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.691 2.261 . . . . 0.0 112.313 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 8.3 tmtt? -86.59 119.78 27.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.905 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . 0.463 ' HA ' ' NE ' ' A' ' 81' ' ' ARG . 47.0 m-85 -90.55 109.49 20.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.949 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . 0.462 ' CD2' ' CD1' ' A' ' 14' ' ' LEU . 0.9 OUTLIER -61.15 123.24 17.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.912 -179.915 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' SER . . . . . 0.438 ' C ' ' O ' ' A' ' 96' ' ' TYR . 57.7 p -34.9 -70.18 0.09 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.89 -179.873 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -106.14 156.15 37.3 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.621 0.724 . . . . 0.0 110.874 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 166.75 26.55 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.716 2.277 . . . . 0.0 112.346 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 6.3 mt -112.31 122.67 66.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.12 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 14.7 tp -98.23 108.81 21.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.957 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -61.24 92.16 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.148 179.849 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 23.8 tptp -138.98 152.04 47.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.913 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -90.2 156.27 18.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.892 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 90.7 p -113.11 43.43 1.71 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 -179.771 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -124.05 87.05 0.38 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.515 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -23.78 30.36 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.668 2.246 . . . . 0.0 112.307 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 9.3 t -89.42 124.84 34.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.86 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 4.3 m -89.64 148.19 23.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.812 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.473 -179.996 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 56.9 p -158.95 160.03 35.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.906 0.384 . . . . 0.0 110.836 -179.693 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.0 t -106.65 119.62 39.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.84 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 132.49 138.5 4.12 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.479 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.1 m -103.93 155.51 18.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.863 0.363 . . . . 0.0 110.884 -179.755 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 91.3 p -60.05 152.67 23.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.888 -179.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -83.0 -42.07 8.3 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.485 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 20.9 m -95.27 158.61 15.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.805 0.336 . . . . 0.0 111.185 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.3 t -79.29 149.38 72.42 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.651 0.738 . . . . 0.0 110.881 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 169.32 19.25 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.656 2.237 . . . . 0.0 112.37 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 119.67 6.58 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.642 2.228 . . . . 0.0 112.336 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 66.1 p -110.01 -176.67 3.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.144 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 47.0 mt 50.16 50.26 18.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.967 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -89.31 110.5 21.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.917 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.7 t -139.77 154.81 47.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.104 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 17.5 t -75.23 116.03 17.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.123 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -69.62 -59.38 3.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 48.2 m -154.83 132.86 11.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.831 -179.738 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.458 HG21 ' CG2' ' A' ' 100' ' ' ILE . 40.6 t -110.02 128.45 66.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.082 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -125.4 144.3 50.58 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.143 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -54.32 -21.38 9.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.909 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 20.9 p -92.2 -51.48 5.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.154 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 81.3 p -144.4 161.91 37.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.137 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 35.0 m -108.97 151.12 11.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.118 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 17.6 m -126.22 121.78 33.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.155 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 98.6 mmm -111.32 168.52 9.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.863 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 1.6 ptp180 -149.44 150.0 31.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.826 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 21.8 p90 -158.41 158.7 34.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.888 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 23.6 mtt-85 -114.63 158.4 40.35 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.631 0.729 . . . . 0.0 110.889 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 163.98 36.23 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.657 2.238 . . . . 0.0 112.366 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.419 ' O ' ' C ' ' A' ' 32' ' ' ASP . 53.5 Cg_endo -69.75 146.9 61.65 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.745 2.297 . . . . 0.0 112.333 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.419 ' C ' ' O ' ' A' ' 31' ' ' PRO . 5.0 t70 -35.42 -44.38 0.29 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.919 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 23.1 p-80 -148.93 167.25 26.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.847 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 15.3 mm -106.61 129.92 59.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.141 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -62.75 158.5 36.67 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.451 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -49.69 -44.18 47.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.793 0.33 . . . . 0.0 111.095 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -54.16 -36.06 62.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.128 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 113.63 -171.42 13.82 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.481 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 9.3 tp -133.64 130.99 39.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.825 0.345 . . . . 0.0 110.9 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.447 ' O ' ' C ' ' A' ' 41' ' ' GLY . 11.6 m-20 -115.77 94.42 4.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.861 179.856 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.447 ' C ' ' O ' ' A' ' 40' ' ' ASP . . . 34.02 -147.7 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.511 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -148.4 -176.37 5.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.941 0.401 . . . . 0.0 110.945 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 61.0 t -138.83 141.41 36.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.168 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.551 HD21 ' CD1' ' A' ' 67' ' ' PHE . 5.8 tp -126.62 139.09 53.44 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.91 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.471 ' OE1' ' N ' ' A' ' 45' ' ' GLU . 2.4 mp0 -145.91 135.87 23.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.856 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 21.2 p90 -124.72 137.41 54.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.925 -179.814 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.518 ' HB2' ' CD2' ' A' ' 54' ' ' TRP . 11.0 t -105.38 116.6 32.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.885 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -66.06 173.25 3.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.3 pp20? -95.44 13.5 25.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -124.32 -3.97 7.82 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.507 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 20.2 p -133.04 141.58 48.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.766 0.317 . . . . 0.0 111.141 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 57.5 mm-40 -88.96 28.34 1.19 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.869 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 33.1 m-20 -136.69 149.39 47.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.856 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . 0.565 ' CZ3' ' HG2' ' A' ' 81' ' ' ARG . 92.1 m95 -84.56 132.31 34.53 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.947 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 5.2 mp -96.29 135.43 30.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.106 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 85.5 t -84.48 131.94 32.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.092 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.507 ' HB1' ' CZ ' ' A' ' 67' ' ' PHE . . . -96.64 -58.29 2.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.064 179.869 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 18.5 p-10 -62.19 130.18 44.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.8 mppt? -61.86 -46.4 89.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.888 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -133.29 -67.73 0.61 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.846 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 6.8 mt -149.39 143.27 25.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.884 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 7.4 mt -89.91 121.08 39.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.152 179.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -82.32 -56.05 4.14 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.886 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.2 mppt? -62.39 173.21 1.26 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.842 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 3.9 p -97.94 15.57 23.56 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.137 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 36.2 mttp -140.78 166.81 23.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.921 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.551 ' CD1' HD21 ' A' ' 44' ' ' LEU . 24.0 t80 -165.46 138.27 4.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.824 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 91.4 m -120.61 120.17 35.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.104 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 31.4 mt -72.1 114.24 10.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.079 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 40.0 p -91.78 130.01 37.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.184 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 97.33 72.17 1.08 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.5 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 81.1 mt -137.1 123.34 13.41 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.58 0.705 . . . . 0.0 110.899 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 133.24 25.19 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.692 2.262 . . . . 0.0 112.343 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 91.5 m -56.11 145.57 25.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.19 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 21.4 t0 65.46 36.29 6.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.885 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -118.49 146.57 44.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.088 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 76.7 mttt -105.14 136.59 44.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.851 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 8.2 pt -146.87 151.6 13.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.127 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 81.3 m-85 -102.34 144.34 30.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 70.8 t -117.16 142.7 29.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.124 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.565 ' HG2' ' CZ3' ' A' ' 54' ' ' TRP . 0.2 OUTLIER -154.26 149.36 26.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.877 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.449 ' CG1' HD12 ' A' ' 44' ' ' LEU . 11.2 m -141.7 154.48 19.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.12 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.23 158.77 44.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.877 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -98.58 128.55 44.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.052 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 91.5 t -117.24 117.73 56.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.117 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . 0.404 ' O ' ' C ' ' A' ' 87' ' ' ALA . 0.1 OUTLIER -138.81 164.46 29.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.863 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 86' ' ' ASN . . . -37.74 -52.59 1.27 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.126 179.879 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -40.53 -44.92 2.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.143 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 159.03 -106.31 0.28 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.516 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -152.56 154.09 34.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.814 0.34 . . . . 0.0 111.038 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.1 m -102.34 166.77 10.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.856 -179.778 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -62.1 152.46 77.84 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.633 0.73 . . . . 0.0 110.889 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.505 ' HB2' ' CZ ' ' A' ' 95' ' ' TYR . 54.0 Cg_endo -69.77 150.18 67.81 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.649 2.233 . . . . 0.0 112.35 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 12.2 tptm -122.62 127.9 49.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . 0.505 ' CZ ' ' HB2' ' A' ' 93' ' ' PRO . 12.4 m-85 -127.11 136.89 52.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.922 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 19.5 t80 -70.04 175.51 4.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.942 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 12.3 m -71.05 -68.36 0.44 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.88 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 51.0 mt-30 -107.22 155.62 39.05 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.568 0.699 . . . . 0.0 110.951 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 146.98 61.66 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.717 2.278 . . . . 0.0 112.327 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.458 ' CG2' HG21 ' A' ' 19' ' ' VAL . 2.9 mp -91.89 127.68 44.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.136 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 9.5 tp -102.99 115.67 31.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.928 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.426 ' O ' ' CG1' ' A' ' 102' ' ' VAL . 8.1 p -60.37 89.65 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.153 179.867 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 20.5 tptp -139.12 151.62 46.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.915 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 6.5 tm-20 -90.02 154.73 19.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 72.0 m -111.4 96.4 6.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.843 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -124.42 84.78 0.36 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.487 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 129.76 18.16 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.699 2.266 . . . . 0.0 112.336 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 75.5 p -117.9 159.23 23.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.836 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 93.6 p -41.76 152.65 0.07 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.847 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.507 179.997 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.7 p -113.4 -50.82 2.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.868 0.366 . . . . 0.0 110.853 -179.74 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.2 t -90.95 95.82 10.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.84 -179.798 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -84.24 95.66 1.93 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.496 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.1 m -103.77 -43.89 5.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.87 0.367 . . . . 0.0 110.853 -179.74 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.3 t -53.8 100.48 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.865 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -77.04 11.15 16.43 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.477 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -101.96 149.03 24.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.83 0.347 . . . . 0.0 111.158 -179.856 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.8 p -85.34 148.78 50.65 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.703 0.763 . . . . 0.0 110.851 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.68 168.06 22.54 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.696 2.264 . . . . 0.0 112.366 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 120.95 7.65 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.711 2.274 . . . . 0.0 112.35 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 43.2 p -100.66 173.27 6.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.15 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 50.5 mt 56.31 52.7 9.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.925 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -88.31 114.96 25.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.92 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 9.4 m -155.25 146.91 23.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.185 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.435 HG11 ' CG2' ' A' ' 19' ' ' VAL . 97.6 t -68.59 114.4 5.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.154 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 44.0 t0 -65.27 -49.9 67.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 72.6 m -144.64 166.25 25.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.909 -179.779 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.435 ' CG2' HG11 ' A' ' 16' ' ' VAL . 92.7 t -148.25 123.38 2.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.158 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.461 ' O ' ' N ' ' A' ' 22' ' ' THR . 7.7 m -131.0 133.13 45.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.155 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -40.43 -25.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.861 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.461 ' N ' ' O ' ' A' ' 20' ' ' THR . 27.4 p -86.91 -57.91 2.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.122 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 61.8 p -137.2 168.84 18.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.2 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 33.0 m -123.44 147.34 27.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.146 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 4.3 m -112.87 124.14 51.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.137 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.432 ' SD ' ' CG2' ' A' ' 16' ' ' VAL . 69.8 mmm -111.69 154.28 25.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.844 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 5.8 ptm180 -148.13 147.17 29.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.837 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 40.9 p90 -147.94 170.12 18.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.966 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.493 ' CD ' ' HD2' ' A' ' 30' ' ' PRO . 4.5 tpt180 -116.0 140.25 26.05 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.596 0.713 . . . . 0.0 110.871 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.493 ' HD2' ' CD ' ' A' ' 29' ' ' ARG . 53.8 Cg_endo -69.85 169.94 17.86 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.661 2.241 . . . . 0.0 112.337 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 152.06 69.61 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.701 2.267 . . . . 0.0 112.383 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.4 ' OD2' ' CD2' ' A' ' 33' ' ' HIS . 7.6 t70 -62.49 -40.38 96.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.856 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.4 ' CD2' ' OD2' ' A' ' 32' ' ' ASP . 59.8 m-70 -131.03 167.77 18.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.912 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 4.0 mm -134.92 144.83 33.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.14 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.419 ' O ' ' N ' ' A' ' 37' ' ' ALA . . . -161.77 -58.88 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.465 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.422 ' O ' ' C ' ' A' ' 37' ' ' ALA . . . -46.42 93.3 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.781 0.324 . . . . 0.0 111.111 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.422 ' C ' ' O ' ' A' ' 36' ' ' ALA . . . 35.7 35.31 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.071 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.416 ' N ' ' O ' ' A' ' 36' ' ' ALA . . . 59.8 152.59 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.476 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 8.2 tp -80.24 132.38 35.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.832 0.348 . . . . 0.0 110.935 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -118.29 95.9 5.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.834 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 48.69 -162.04 0.52 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.483 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -143.0 175.33 9.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.919 0.39 . . . . 0.0 110.943 -179.78 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.403 ' O ' ' NH2' ' A' ' 81' ' ' ARG . 55.0 t -135.86 125.95 41.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.106 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.421 HD22 ' N ' ' A' ' 45' ' ' GLU . 10.1 tt -122.75 143.91 49.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.906 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.421 ' N ' HD22 ' A' ' 44' ' ' LEU . 17.9 mt-10 -142.35 170.44 15.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.401 ' CE1' ' HB ' ' A' ' 55' ' ' ILE . 6.9 p90 -147.78 131.42 16.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.86 -179.849 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.496 ' HB2' ' CD2' ' A' ' 54' ' ' TRP . 9.3 t -103.5 111.46 23.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.863 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -75.69 135.73 40.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.888 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -59.94 120.3 9.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.873 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 100.88 33.57 4.95 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.511 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 74.8 p -126.94 173.21 9.8 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.756 0.312 . . . . 0.0 111.154 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -95.75 -38.1 10.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.879 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -139.74 154.24 47.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . 0.496 ' CD2' ' HB2' ' A' ' 47' ' ' CYS . 21.0 m95 -51.78 178.22 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.401 ' HB ' ' CE1' ' A' ' 46' ' ' TYR . 19.0 mt -130.85 119.59 45.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.098 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 77.9 t -65.92 119.41 10.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.136 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -87.61 -54.08 4.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.105 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 31.0 p-10 -76.21 158.51 31.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.884 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 71.4 mttt -76.84 -73.33 0.29 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.858 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -110.1 -66.75 1.04 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.861 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 21.6 mt -149.59 151.23 33.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.856 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.415 HD12 ' CD1' ' A' ' 67' ' ' PHE . 15.9 mt -98.31 108.31 21.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.103 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -61.06 -51.87 67.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 46.4 mtmt -74.44 168.84 18.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.902 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 76.0 p -91.4 10.08 29.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.14 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 25.5 mtpt -125.39 156.52 38.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.912 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.415 ' CD1' HD12 ' A' ' 62' ' ' ILE . 32.3 t80 -150.57 156.86 42.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.896 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 97.1 m -137.16 117.89 14.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.154 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 11.0 mt -78.9 117.96 25.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.133 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 27.7 p -94.83 132.89 39.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.123 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 89.83 75.86 1.3 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.521 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 19.1 mt -137.64 124.22 13.37 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.58 0.705 . . . . 0.0 110.917 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.78 127.13 14.14 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.677 2.251 . . . . 0.0 112.343 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 9.4 m -53.52 143.5 19.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.092 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 26.9 t0 68.66 31.8 4.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -115.15 137.32 52.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.127 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 53.8 mttp -101.66 131.12 48.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.908 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 13.5 pt -138.73 153.31 25.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.199 179.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 49.6 m-85 -101.27 125.56 47.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.856 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 59.2 t -113.57 143.23 23.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.126 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.512 ' NE ' ' O ' ' A' ' 81' ' ' ARG . 0.0 OUTLIER -156.1 147.13 22.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.837 -179.959 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 28.1 m -131.68 165.07 32.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.094 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.408 ' HE3' ' CG2' ' A' ' 85' ' ' VAL . 0.0 OUTLIER -158.67 170.71 21.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 179.908 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -94.5 143.38 26.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.074 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.408 ' CG2' ' HE3' ' A' ' 83' ' ' LYS . 86.7 t -138.89 123.73 21.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.109 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -143.99 168.79 19.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.952 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -53.62 -21.43 6.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.153 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -77.52 -56.85 4.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.132 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -179.68 -168.44 38.51 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.454 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -113.62 162.37 16.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.803 0.335 . . . . 0.0 111.107 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 64.5 p -112.52 154.72 25.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.891 -179.799 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -48.94 143.84 8.06 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.612 0.72 . . . . 0.0 110.878 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 139.77 40.79 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.64 2.227 . . . . 0.0 112.336 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 31.1 tptt -98.91 99.45 10.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 -80.92 124.59 29.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.914 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . 0.435 ' O ' ' C ' ' A' ' 97' ' ' SER . 2.3 t80 -67.53 127.15 31.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.943 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 96' ' ' TYR . 73.4 m -35.18 -73.72 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.901 -179.86 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . 0.425 ' O ' ' CD1' ' A' ' 96' ' ' TYR . 3.6 pt20 -101.99 151.76 38.07 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.571 0.7 . . . . 0.0 110.917 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 151.39 69.44 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.698 2.265 . . . . 0.0 112.368 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 4.7 mp -90.93 133.29 33.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.106 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.409 ' O ' ' N ' ' A' ' 103' ' ' LYS . 14.4 tp -109.25 102.19 11.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.924 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 7.2 p -57.43 85.49 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.113 179.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . 0.409 ' N ' ' O ' ' A' ' 101' ' ' LEU . 10.5 tptp -137.95 137.87 38.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 9.4 tm-20 -78.82 160.99 27.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.846 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 74.7 m -39.69 -51.34 2.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.83 -179.794 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 128.05 -156.75 20.89 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.46 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . 0.407 ' O ' ' C ' ' A' ' 108' ' ' SER . 53.7 Cg_endo -69.74 2.8 3.2 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.664 2.243 . . . . 0.0 112.353 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 107' ' ' PRO . 9.7 t -37.32 122.33 0.89 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.834 -179.829 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 2.2 m -100.87 130.21 46.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.87 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.481 -179.989 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.5 p -130.89 175.07 9.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.85 0.357 . . . . 0.0 110.917 -179.786 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.5 t -115.36 -44.89 2.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.843 -179.804 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 156.11 -132.59 3.38 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.518 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 55.4 p -62.52 163.57 8.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.887 0.375 . . . . 0.0 110.848 -179.798 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.8 t -113.71 -32.23 6.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.862 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 115.9 -24.73 9.95 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.483 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.7 m -105.45 164.56 11.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.779 0.323 . . . . 0.0 111.17 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 24.9 m -86.02 149.98 51.57 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.696 0.76 . . . . 0.0 110.851 -179.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 167.13 25.34 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.678 2.252 . . . . 0.0 112.341 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 128.02 15.48 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.687 2.258 . . . . 0.0 112.368 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 60.5 p -111.09 -175.15 2.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.108 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 29.4 mt 53.27 41.26 32.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -81.83 112.2 18.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.935 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 4.1 m -150.59 151.86 33.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.118 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 3.3 t -74.53 119.73 22.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.128 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 43.4 t0 -77.64 -49.91 13.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.863 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.4 t -148.79 162.64 39.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 -179.747 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 95.7 t -144.48 122.58 5.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.146 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 17.1 m -120.25 144.35 47.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.151 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -54.97 -17.83 4.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.835 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.4 m -96.8 -49.68 4.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.183 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 19.2 p -143.02 167.04 23.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.143 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.461 ' O ' ' CG2' ' A' ' 68' ' ' THR . 19.4 m -117.01 162.38 15.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.155 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 12.6 m -132.99 115.53 15.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.171 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 58.1 mmm -111.28 123.88 51.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.888 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 1.8 ptp180 -109.4 154.02 23.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.912 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 16.8 p90 -160.23 170.74 20.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.911 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 25.6 mtt180 -125.61 157.08 69.65 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.574 0.702 . . . . 0.0 110.911 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 165.53 30.6 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.666 2.244 . . . . 0.0 112.348 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.405 ' O ' ' C ' ' A' ' 32' ' ' ASP . 53.4 Cg_endo -69.81 141.73 45.81 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.643 2.229 . . . . 0.0 112.34 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.405 ' C ' ' O ' ' A' ' 31' ' ' PRO . 9.4 t70 -37.8 -46.9 0.97 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.907 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.415 ' CD2' ' C ' ' A' ' 33' ' ' HIS . 0.1 OUTLIER -128.21 163.81 23.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.807 -179.935 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 19.7 mm -117.45 131.73 69.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.178 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.422 ' O ' ' N ' ' A' ' 38' ' ' GLY . . . -58.11 139.99 47.0 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.497 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -38.82 -36.0 0.24 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.794 0.331 . . . . 0.0 111.121 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.14 -45.31 94.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.093 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' A' ' 35' ' ' GLY . . . 110.41 133.0 6.36 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.469 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.489 HD22 ' CZ ' ' A' ' 42' ' ' TYR . 4.2 tp -85.4 126.54 33.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.763 0.316 . . . . 0.0 110.936 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -110.44 96.01 5.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.86 179.827 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.466 ' HA3' ' CD1' ' A' ' 61' ' ' LEU . . . 55.09 -160.33 5.71 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.504 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.489 ' CZ ' HD22 ' A' ' 39' ' ' LEU . 9.8 m-85 -145.35 -177.78 5.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.916 0.389 . . . . 0.0 110.927 -179.818 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 20.5 t -135.43 126.53 44.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.163 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 8.2 tt -123.07 132.92 54.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.928 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -140.65 159.93 41.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.875 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 4.7 p90 -139.61 134.95 32.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.929 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.401 ' HB2' ' CE3' ' A' ' 54' ' ' TRP . 27.3 t -101.55 115.94 31.65 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.859 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -70.06 136.23 50.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.401 ' HG3' ' N ' ' A' ' 50' ' ' GLY . 4.0 pt-20 -61.41 -29.13 69.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.887 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.401 ' N ' ' HG3' ' A' ' 49' ' ' GLU . . . -68.03 -13.54 64.47 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.486 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 51.3 p -128.36 -176.78 3.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.743 0.306 . . . . 0.0 111.161 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -128.79 30.78 5.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.879 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -136.57 153.12 51.06 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.835 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . 0.532 ' CH2' ' HG3' ' A' ' 81' ' ' ARG . 96.1 m95 -84.15 119.63 25.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 37.3 mt -93.33 135.08 29.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.093 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 93.4 t -74.56 123.51 30.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.158 179.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -92.15 -40.92 10.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.12 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 9.8 p-10 -103.25 122.39 44.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.2 ttmp? -54.89 -53.38 56.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.435 ' O ' ' C ' ' A' ' 61' ' ' LEU . 3.6 m-20 -129.04 165.71 20.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.891 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.466 ' CD1' ' HA3' ' A' ' 41' ' ' GLY . 1.6 pp -34.64 135.28 0.18 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.923 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 21.2 mt -86.3 105.34 14.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.148 179.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 -57.03 -53.7 55.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.875 179.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.4 mppt? -65.96 179.59 0.87 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.918 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 8.3 p -109.89 19.95 18.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.157 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 13.0 ttpp -146.92 140.24 25.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.909 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 24.0 t80 -135.36 154.62 51.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.461 ' CG2' ' O ' ' A' ' 24' ' ' VAL . 78.1 m -138.65 115.02 10.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.143 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 25.0 mt -72.22 107.63 3.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.167 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 8.9 p -84.01 138.11 33.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.139 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 83.87 71.31 1.32 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.439 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 13.1 mt -128.27 131.3 23.7 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.607 0.718 . . . . 0.0 110.903 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 133.55 25.73 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.68 2.253 . . . . 0.0 112.354 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 12.2 m -60.82 149.57 35.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.104 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.8 t70 58.97 36.89 24.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -115.48 138.04 51.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.107 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 55.5 mttp -99.15 130.35 45.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.911 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 2.4 pp -142.0 160.67 20.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.164 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 85.0 m-85 -100.41 175.88 5.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.864 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.494 ' O ' ' NE ' ' A' ' 81' ' ' ARG . 95.6 t -154.96 116.44 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.136 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.535 ' HD2' ' CD1' ' A' ' 95' ' ' TYR . 13.1 mmp_? -129.13 122.19 29.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.884 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 26.1 m -114.68 129.08 71.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.128 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 10.0 ptpt -118.82 174.41 6.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.85 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -106.86 129.27 54.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.098 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 61.9 t -115.96 127.44 73.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.165 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . 0.436 ' N ' ' ND2' ' A' ' 86' ' ' ASN . 0.2 OUTLIER -134.81 171.26 14.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.892 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -53.8 -40.56 66.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.129 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.68 -49.24 73.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.067 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -179.09 -122.16 0.75 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.529 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -156.02 153.79 30.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.773 0.321 . . . . 0.0 111.108 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 74.2 m -104.39 169.91 8.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.813 -179.762 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -62.89 142.68 97.4 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.621 0.724 . . . . 0.0 110.918 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 155.04 66.99 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.715 2.276 . . . . 0.0 112.362 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 9.4 tmtt? -87.71 115.86 25.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . 0.535 ' CD1' ' HD2' ' A' ' 81' ' ' ARG . 39.0 m-85 -91.0 105.41 17.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . 0.529 ' CD1' ' N ' ' A' ' 97' ' ' SER . 34.6 t80 -61.31 169.0 2.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.953 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' SER . . . . . 0.529 ' N ' ' CD1' ' A' ' 96' ' ' TYR . 35.5 t -66.25 -73.57 0.13 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.874 -179.804 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -114.28 161.45 28.28 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.63 0.729 . . . . 0.0 110.871 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 145.36 56.73 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.637 2.224 . . . . 0.0 112.359 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 4.0 mp -86.58 147.32 5.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.163 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 13.6 tp -119.04 115.87 25.21 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.45 ' O ' ' CG1' ' A' ' 102' ' ' VAL . 10.0 p -62.75 82.82 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.119 179.854 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 19.7 tptt -140.66 132.24 27.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -64.92 158.65 24.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.894 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 37.6 m -124.76 108.16 11.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.858 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -148.64 70.63 0.32 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.496 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -7.08 20.13 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.686 2.257 . . . . 0.0 112.339 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 2.8 t -102.96 123.6 46.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.912 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 77.5 p -79.03 102.31 8.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.816 -179.767 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.507 179.989 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.447 -0.261 . . . . 0.0 112.447 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.9 p -50.2 149.09 3.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.855 0.359 . . . . 0.0 110.884 -179.716 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 73.1 m -81.77 -40.14 23.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.858 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 170.5 112.34 0.27 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.469 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.2 t -125.9 119.01 26.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.837 0.351 . . . . 0.0 110.851 -179.703 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.1 t -49.85 146.64 4.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -117.21 22.5 10.32 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.442 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.445 ' CG2' ' HA ' ' A' ' 34' ' ' ILE . 6.6 m -88.3 161.0 17.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.825 0.345 . . . . 0.0 111.131 -179.874 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -79.22 143.99 61.71 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.68 0.753 . . . . 0.0 110.831 -179.855 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 169.91 17.87 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.646 2.231 . . . . 0.0 112.336 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.85 114.36 3.69 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.664 2.243 . . . . 0.0 112.333 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 37.9 p -103.3 173.51 6.27 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.155 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 83.2 mt 54.18 52.87 11.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.853 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.401 ' HB2' ' NZ ' ' A' ' 94' ' ' LYS . 0.0 OUTLIER -80.77 109.01 14.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.924 179.863 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 69.0 m -135.42 156.89 48.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.145 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.8 t -80.23 133.4 29.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.132 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -85.91 -48.86 8.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.842 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.5 t -155.93 165.15 37.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.87 -179.791 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 58.9 t -148.72 128.33 3.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.095 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.3 m -142.14 135.56 29.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.202 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 56.7 m-20 -38.89 -34.05 0.14 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.882 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 82.5 p -73.01 -49.17 30.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.124 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 81.2 p -155.34 166.73 32.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.146 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 30.6 m -121.96 142.31 38.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.137 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 27.7 m -108.59 142.49 38.96 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.086 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 77.9 mmm -129.63 139.04 51.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 27.3 ptt180 -133.33 144.09 49.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.879 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 45.1 p90 -142.82 172.5 12.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.912 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.49 ' CD ' ' HD2' ' A' ' 30' ' ' PRO . 6.2 tpt180 -106.66 139.35 20.27 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.575 0.702 . . . . 0.0 110.878 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.49 ' HD2' ' CD ' ' A' ' 29' ' ' ARG . 53.3 Cg_endo -69.76 164.38 34.76 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.708 2.272 . . . . 0.0 112.354 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.427 ' HG2' ' CD1' ' A' ' 34' ' ' ILE . 54.2 Cg_endo -69.82 130.16 18.78 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.681 2.254 . . . . 0.0 112.356 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 31' ' ' PRO . 2.6 p30 -37.06 -43.64 0.49 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.851 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 89.8 m-70 -150.44 148.83 29.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.807 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.593 ' CD1' ' N ' ' A' ' 34' ' ' ILE . 0.7 OUTLIER -96.03 116.1 36.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.151 179.944 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.422 ' C ' ' O ' ' A' ' 34' ' ' ILE . . . -36.42 -86.47 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.468 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -153.22 164.81 37.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.789 0.328 . . . . 0.0 111.109 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . 69.67 25.0 5.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.099 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 59.05 -177.02 2.33 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.465 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 5.5 tp -120.14 131.27 54.96 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.823 0.344 . . . . 0.0 110.942 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.477 ' OD1' ' N ' ' A' ' 40' ' ' ASP . 0.4 OUTLIER -103.27 94.1 5.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.867 179.878 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.459 ' C ' ' CG ' ' A' ' 42' ' ' TYR . . . 33.8 -139.3 0.13 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.442 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.459 ' CG ' ' C ' ' A' ' 41' ' ' GLY . 0.2 OUTLIER -157.38 177.22 11.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.933 0.396 . . . . 0.0 110.893 -179.771 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 59.6 t -124.51 129.88 73.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.09 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 6.7 tt -128.9 130.34 46.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.917 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -136.01 145.52 46.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.907 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 13.5 p90 -122.97 139.37 54.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.943 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.519 ' HB2' ' CD2' ' A' ' 54' ' ' TRP . 48.6 t -110.72 115.46 29.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.911 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -76.92 134.43 38.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.902 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -54.44 99.41 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.853 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 130.62 39.13 0.28 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.477 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 43.4 p -151.7 173.47 14.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.758 0.313 . . . . 0.0 111.187 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -121.13 -0.22 10.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.89 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 15.4 p-10 -138.0 138.98 39.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.92 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . 0.519 ' CD2' ' HB2' ' A' ' 47' ' ' CYS . 69.1 m95 -70.44 133.92 47.3 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.941 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 5.0 mp -83.05 112.78 21.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.113 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 92.8 t -56.85 122.56 6.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.119 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -90.91 -60.13 1.99 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.134 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 24.9 p-10 -71.67 157.46 37.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.925 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 16.9 tttp -87.77 -53.06 4.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.846 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -122.19 -71.36 0.73 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.886 179.881 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 12.0 mt -151.88 148.83 28.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.978 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 43.1 mt -92.93 106.65 18.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.144 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -58.39 -60.87 3.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.856 179.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 31.2 mttp -75.76 162.25 28.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.954 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 29.8 p -87.32 37.03 0.76 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.131 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 22.1 ttmt -149.93 144.42 25.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 60.2 t80 -141.72 152.95 44.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.907 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 60.5 m -134.04 118.0 17.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.122 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 26.4 mt -75.95 118.17 21.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.145 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 55.5 p -93.88 138.69 31.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.092 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 77.2 75.49 0.92 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.522 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 22.3 mt -132.05 132.51 23.14 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.531 0.681 . . . . 0.0 110.926 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 147.2 62.18 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.697 2.265 . . . . 0.0 112.31 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.462 HG23 ' N ' ' A' ' 75' ' ' ASP . 24.8 m -69.86 160.33 31.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.164 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.462 ' N ' HG23 ' A' ' 74' ' ' THR . 0.6 OUTLIER 46.82 48.15 15.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.917 179.954 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -125.79 149.07 48.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.064 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.463 ' HE2' ' CD2' ' A' ' 101' ' ' LEU . 29.6 mttm -114.45 126.11 54.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.895 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 7.1 pt -132.87 152.79 36.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.136 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -101.56 145.49 28.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.918 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 60.7 t -116.54 138.44 47.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.128 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.657 ' CZ ' ' CZ ' ' A' ' 95' ' ' TYR . 31.8 mmm-85 -137.57 129.94 29.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 13.2 m -126.13 134.5 66.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.169 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.452 ' CD ' HG22 ' A' ' 85' ' ' VAL . 0.0 OUTLIER -134.56 145.87 49.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 179.964 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -81.59 141.0 34.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.144 179.782 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.452 HG22 ' CD ' ' A' ' 83' ' ' LYS . 77.0 t -141.02 126.39 18.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.121 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . 0.488 ' N ' ' ND2' ' A' ' 86' ' ' ASN . 0.3 OUTLIER -132.74 169.12 17.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.906 179.96 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -49.74 -34.63 19.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.127 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.1 -52.66 64.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.141 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -176.94 -110.98 0.28 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.453 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -152.14 169.16 23.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.797 0.332 . . . . 0.0 111.121 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.4 t -124.32 168.0 13.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.856 -179.774 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -68.35 141.86 93.99 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.65 0.738 . . . . 0.0 110.875 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.75 158.87 55.49 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.685 2.256 . . . . 0.0 112.365 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.401 ' NZ ' ' HB2' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -122.43 109.31 14.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 179.907 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . 0.657 ' CZ ' ' CZ ' ' A' ' 81' ' ' ARG . 44.4 m-85 -76.42 136.24 39.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . 0.586 ' CD1' ' N ' ' A' ' 97' ' ' SER . 35.7 t80 -74.65 162.83 28.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.945 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' SER . . . . . 0.586 ' N ' ' CD1' ' A' ' 96' ' ' TYR . 3.8 m -62.1 -75.35 0.07 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.868 -179.852 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . 0.431 ' O ' ' CD1' ' A' ' 96' ' ' TYR . 14.4 mm-40 -119.37 159.8 44.18 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.562 0.696 . . . . 0.0 110.915 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 137.28 35.14 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.687 2.258 . . . . 0.0 112.363 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 4.2 mp -80.66 134.38 27.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.13 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.471 ' O ' ' N ' ' A' ' 103' ' ' LYS . 0.1 OUTLIER -100.69 103.81 15.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.941 179.856 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 3.5 p -57.18 82.07 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.091 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . 0.471 ' N ' ' O ' ' A' ' 101' ' ' LEU . 13.7 tptm -143.94 134.61 24.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.939 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.436 ' HG3' ' N ' ' A' ' 105' ' ' SER . 3.9 tp10 -87.98 156.66 19.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.9 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' SER . . . . . 0.436 ' N ' ' HG3' ' A' ' 104' ' ' GLU . 23.4 m 58.04 49.05 12.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.861 -179.833 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -111.63 -170.18 18.74 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.462 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 154.54 67.55 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.704 2.269 . . . . 0.0 112.305 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 4.7 m -62.35 -49.45 75.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 68.6 m -85.14 131.59 34.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.889 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.496 -179.954 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.4 p -163.68 161.08 23.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.882 0.372 . . . . 0.0 110.878 -179.704 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.0 m -71.66 84.8 0.89 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.866 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -166.73 -161.97 17.17 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.466 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.1 m -79.09 151.5 31.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.904 0.383 . . . . 0.0 110.895 -179.769 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 90.5 p -116.03 -59.15 2.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.848 -179.764 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 157.89 -51.96 0.41 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.514 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 16.8 p -85.63 154.73 21.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.789 0.328 . . . . 0.0 111.13 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.6 m -79.34 149.81 72.9 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.68 0.752 . . . . 0.0 110.868 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 157.69 59.56 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.751 2.301 . . . . 0.0 112.33 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 120.26 7.07 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.693 2.262 . . . . 0.0 112.324 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 69.4 p -101.92 -178.94 3.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.123 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 34.8 mt 56.1 49.54 15.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.925 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.424 ' CD1' ' CD2' ' A' ' 96' ' ' TYR . 2.1 tm? -82.84 112.5 19.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.887 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 4.8 t -148.28 157.6 43.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.153 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.41 HG12 ' CG2' ' A' ' 19' ' ' VAL . 4.5 t -82.51 112.49 20.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.146 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -61.88 -47.73 83.66 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.837 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 10.7 p -159.33 161.03 35.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.851 -179.761 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.41 ' CG2' HG12 ' A' ' 16' ' ' VAL . 24.1 t -138.23 134.13 44.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.148 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.413 ' O ' ' C ' ' A' ' 21' ' ' ASP . 1.6 m -145.94 132.56 19.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.129 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.413 ' C ' ' O ' ' A' ' 20' ' ' THR . 3.0 p-10 -37.6 -33.09 0.06 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.401 ' N ' ' O ' ' A' ' 20' ' ' THR . 38.9 p -71.53 -53.77 12.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.137 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 80.9 p -152.46 169.34 22.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.165 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 20.4 m -118.39 142.94 30.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.141 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 10.7 m -111.35 143.65 41.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.152 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 77.8 mmm -130.18 160.61 33.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.858 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 9.0 ptm180 -149.85 130.76 14.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.881 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.446 ' CZ3' HD13 ' A' ' 44' ' ' LEU . 30.1 p90 -132.76 165.98 23.28 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.855 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.489 ' CD ' ' HD2' ' A' ' 30' ' ' PRO . 5.1 tpt180 -114.89 139.77 24.64 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.569 0.699 . . . . 0.0 110.896 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.489 ' HD2' ' CD ' ' A' ' 29' ' ' ARG . 54.4 Cg_endo -69.7 167.69 23.65 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.651 2.234 . . . . 0.0 112.395 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 131.32 20.97 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.661 2.241 . . . . 0.0 112.374 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -40.25 -36.93 0.58 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.821 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 20.5 t60 -139.11 156.18 47.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.821 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 26.4 mm -102.7 115.27 44.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.165 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -48.26 177.51 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.462 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -68.0 -54.52 17.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.803 0.335 . . . . 0.0 111.106 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -44.68 -33.46 1.85 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.124 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.404 ' O ' ' CB ' ' A' ' 86' ' ' ASN . . . 97.91 143.62 15.28 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.496 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 8.9 tp -90.46 142.14 28.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.806 0.336 . . . . 0.0 110.904 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 81.1 m-20 -128.06 100.16 5.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.857 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 39.66 -160.77 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.48 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.493 ' N ' ' CD1' ' A' ' 42' ' ' TYR . 0.3 OUTLIER -142.88 155.53 44.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.919 0.39 . . . . 0.0 110.907 -179.776 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.415 HG11 ' NZ ' ' A' ' 83' ' ' LYS . 81.2 t -118.89 133.69 64.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.088 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.446 HD13 ' CZ3' ' A' ' 28' ' ' TRP . 7.4 tt -128.95 133.16 47.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.963 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.413 ' OE1' ' N ' ' A' ' 45' ' ' GLU . 1.6 mp0 -134.48 153.07 52.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.839 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 9.5 p90 -132.61 131.8 41.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.926 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.487 ' HB2' ' CD2' ' A' ' 54' ' ' TRP . 47.2 t -105.13 104.71 14.5 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.886 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -49.41 174.37 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.928 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -77.83 131.68 37.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.923 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 82.39 -27.71 3.59 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.452 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -65.14 119.23 10.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.726 0.298 . . . . 0.0 111.119 -179.829 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -86.21 16.78 4.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.935 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -139.04 129.45 25.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.884 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . 0.599 ' CE2' ' CZ ' ' A' ' 81' ' ' ARG . 75.5 m95 -68.08 151.62 46.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.957 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 18.2 mt -124.5 115.57 44.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.104 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 31.9 t -72.33 134.16 30.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.142 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.47 ' HB3' ' CZ ' ' A' ' 67' ' ' PHE . . . -85.62 -43.84 13.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.121 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 21.6 p-10 -83.72 -176.4 6.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.858 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -113.91 -45.44 3.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.94 179.856 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -120.9 -63.61 1.32 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.89 179.861 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 85.8 mt -153.86 -178.0 6.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.916 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 36.5 mt -128.05 106.97 15.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.164 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -86.27 47.47 1.47 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 179.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 30.2 mttm -159.58 157.04 29.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.941 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 15.5 p -90.75 19.62 5.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.127 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 12.7 mtmm -151.78 160.3 43.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.859 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.47 ' CZ ' ' HB3' ' A' ' 57' ' ' ALA . 12.2 t80 -155.58 143.56 19.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.88 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 92.5 m -126.99 112.09 14.84 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.136 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 55.5 mt -66.26 108.87 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.161 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 29.0 p -83.77 131.9 34.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.105 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 84.36 84.27 0.96 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.481 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 6.2 mt -137.71 127.79 15.44 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.597 0.713 . . . . 0.0 110.917 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 128.76 16.47 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.635 2.223 . . . . 0.0 112.345 179.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 54.2 m -54.57 149.85 10.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.127 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 9.6 t70 60.7 32.94 20.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.884 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -112.62 141.76 46.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.091 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.1 mmmm -109.97 131.64 54.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.404 HD11 ' C ' ' A' ' 78' ' ' ILE . 2.4 pp -139.47 159.31 28.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.11 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 92.7 m-85 -108.36 132.0 54.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.865 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 55.2 t -110.99 138.09 40.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.123 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.599 ' CZ ' ' CE2' ' A' ' 54' ' ' TRP . 19.1 ptt180 -153.3 139.31 18.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.892 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 7.5 m -127.53 156.46 39.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.109 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.415 ' NZ ' HG11 ' A' ' 43' ' ' VAL . 0.0 OUTLIER -156.08 133.22 10.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.894 179.909 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -59.47 148.51 32.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.122 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 57.3 t -139.25 118.15 12.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.121 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . 0.404 ' CB ' ' O ' ' A' ' 38' ' ' GLY . 0.2 OUTLIER -128.98 179.0 5.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.904 179.953 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -48.78 -40.64 29.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.065 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.25 -57.08 11.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.106 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -178.91 -114.2 0.41 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.497 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -156.95 172.2 19.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.819 0.343 . . . . 0.0 111.124 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 25.5 m -105.46 169.18 8.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.85 -179.777 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -57.82 142.84 78.06 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.606 0.717 . . . . 0.0 110.873 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 127.74 14.97 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.671 2.248 . . . . 0.0 112.311 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 4.8 tmtm? -83.68 101.62 11.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.898 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -83.42 115.38 22.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.936 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . 0.424 ' CD2' ' CD1' ' A' ' 14' ' ' LEU . 0.2 OUTLIER -65.45 119.22 10.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.95 -179.898 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 96' ' ' TYR . 57.3 p -36.38 -63.74 0.37 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.83 -179.829 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -106.34 140.61 21.46 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.625 0.726 . . . . 0.0 110.915 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 164.37 34.84 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.675 2.25 . . . . 0.0 112.301 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 10.3 mt -98.2 144.84 10.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.098 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.9 tp -117.9 106.41 12.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.925 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 1.6 p -65.64 90.83 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.126 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 7.1 tptm -142.13 138.38 31.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.421 ' CG ' ' N ' ' A' ' 105' ' ' SER . 24.3 tt0 -87.19 160.09 18.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.856 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' SER . . . . . 0.421 ' N ' ' CG ' ' A' ' 104' ' ' GLU . 46.9 t -133.04 81.5 1.94 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.841 -179.762 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 113.0 83.29 1.23 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.507 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 2.52 3.45 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.704 2.269 . . . . 0.0 112.325 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 2.8 t -58.05 115.4 2.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.871 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 5.1 m 62.41 42.72 8.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.87 -179.8 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.458 -179.944 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.651 HG22 ' H ' ' A' ' 9' ' ' SER . 2.1 m -90.86 172.33 8.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.778 0.323 . . . . 0.0 111.194 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.651 ' H ' HG22 ' A' ' 8' ' ' THR . 1.0 OUTLIER -99.64 143.69 26.91 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.644 0.735 . . . . 0.0 110.876 -179.857 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 167.64 23.9 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.663 2.242 . . . . 0.0 112.342 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.465 ' CD ' ' HA ' ' A' ' 83' ' ' LYS . 54.2 Cg_endo -69.71 120.61 7.38 Favored 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 122.686 2.257 . . . . 0.0 112.348 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 64.0 p -107.91 -177.25 3.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.159 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 29.9 mt 50.83 50.15 19.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.911 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.576 ' CD1' ' CD2' ' A' ' 96' ' ' TYR . 2.6 tm? -85.8 113.96 22.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.924 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.493 ' CG2' ' N ' ' A' ' 16' ' ' VAL . 3.5 m -147.38 157.69 43.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.154 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.568 HG22 ' SD ' ' A' ' 26' ' ' MET . 4.7 t -81.45 127.34 39.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.143 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 37.9 t0 -81.79 -56.39 4.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.86 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 7.9 t -146.43 157.12 43.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.882 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.419 HG11 ' O ' ' A' ' 101' ' ' LEU . 91.7 t -133.13 139.54 49.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.143 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.446 ' O ' ' N ' ' A' ' 22' ' ' THR . 0.7 OUTLIER -142.88 131.72 22.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.134 -179.918 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.625 ' OD1' HG23 ' A' ' 74' ' ' THR . 11.3 m-20 -41.42 -24.82 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.834 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.446 ' N ' ' O ' ' A' ' 20' ' ' THR . 5.7 p -83.91 -53.4 5.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.171 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 6.5 p -145.12 168.95 19.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.104 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.401 ' O ' HG23 ' A' ' 68' ' ' THR . 16.2 m -119.71 144.66 27.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.12 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 54.4 m -109.91 138.08 46.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.172 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.568 ' SD ' HG22 ' A' ' 16' ' ' VAL . 92.2 mmm -133.97 129.91 36.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.91 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 15.9 ptm180 -117.76 156.81 27.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.847 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 16.1 p90 -156.62 161.95 39.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -108.82 149.79 39.99 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.598 0.713 . . . . 0.0 110.894 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 165.71 30.07 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.691 2.26 . . . . 0.0 112.354 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 152.89 69.5 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.66 2.24 . . . . 0.0 112.373 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 69.4 m-20 -56.98 -30.35 64.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.855 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 76.7 m-70 -145.91 169.66 18.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.866 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.468 ' HA ' HG23 ' A' ' 8' ' ' THR . 6.2 mm . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.129 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.634 HD21 ' CZ ' ' A' ' 42' ' ' TYR . 4.0 tp -82.49 130.28 35.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.78 0.324 . . . . 0.0 110.952 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -109.58 94.38 5.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 42.07 -158.04 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.475 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.634 ' CZ ' HD21 ' A' ' 39' ' ' LEU . 8.6 m-85 -143.17 171.65 13.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.927 0.394 . . . . 0.0 110.924 -179.788 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 49.0 t -132.78 138.77 51.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.155 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.3 tt -129.92 129.59 44.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.927 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.604 ' OE2' HG22 ' A' ' 56' ' ' VAL . 5.7 mm-40 -125.13 161.76 26.12 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.905 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 12.4 p90 -149.58 133.51 17.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.931 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.485 ' HB2' ' CD2' ' A' ' 54' ' ' TRP . 1.2 t -106.91 130.77 54.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.866 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -87.29 136.15 33.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.873 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -57.4 140.61 49.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.887 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 93.55 -3.62 71.93 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.496 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 15.3 p -115.59 178.34 4.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.746 0.308 . . . . 0.0 111.148 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.45 ' N ' ' CD ' ' A' ' 52' ' ' GLU . 0.4 OUTLIER -129.04 3.29 5.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.913 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -127.79 141.91 51.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.933 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.503 ' CH2' ' HD3' ' A' ' 81' ' ' ARG . 43.9 m95 -82.19 153.85 25.77 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.908 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.449 ' C ' ' OE1' ' A' ' 45' ' ' GLU . 47.5 mt -112.27 120.42 62.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.163 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.604 HG22 ' OE2' ' A' ' 45' ' ' GLU . 58.2 t -56.53 146.93 5.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.167 179.821 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.733 ' HB1' ' CZ ' ' A' ' 67' ' ' PHE . . . -116.65 -53.13 2.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.105 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -77.95 134.35 37.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.894 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 46.0 tttt -67.99 -65.49 0.69 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.831 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.649 ' O ' HD23 ' A' ' 61' ' ' LEU . 4.2 m-20 -113.15 -72.25 0.71 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.885 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.649 HD23 ' O ' ' A' ' 60' ' ' ASP . 13.2 mt -146.99 140.64 25.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.903 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.538 HG22 ' O ' ' A' ' 64' ' ' LYS . 54.3 mt -86.1 104.69 13.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.135 179.843 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 27.5 m-20 -66.12 -60.1 3.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.852 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.538 ' O ' HG22 ' A' ' 62' ' ' ILE . 26.6 mmtp -67.63 169.02 10.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.932 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 11.1 p -91.89 8.64 36.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.146 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 38.6 mtpt -124.7 152.64 43.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.918 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.733 ' CZ ' ' HB1' ' A' ' 57' ' ' ALA . 58.6 t80 -148.57 145.89 28.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.908 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.401 HG23 ' O ' ' A' ' 24' ' ' VAL . 55.1 m -131.41 125.48 32.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.116 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.403 ' HB ' HD11 ' A' ' 72' ' ' LEU . 27.8 mt -82.53 106.38 13.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.124 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 37.9 p -82.19 150.0 27.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.157 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 71.19 75.77 0.61 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.46 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.403 HD11 ' HB ' ' A' ' 69' ' ' ILE . 27.6 mt -134.77 133.67 21.39 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.638 0.733 . . . . 0.0 110.893 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.423 ' O ' HG11 ' A' ' 102' ' ' VAL . 54.1 Cg_endo -69.71 129.59 17.92 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.734 2.289 . . . . 0.0 112.323 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.625 HG23 ' OD1' ' A' ' 21' ' ' ASP . 10.1 m -57.52 143.33 41.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.176 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 35.5 t70 64.88 41.26 4.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.878 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -123.74 132.02 53.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.093 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 72.3 mttt -94.94 125.25 39.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.849 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 11.7 pt -129.66 148.16 33.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.098 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -98.6 127.2 44.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.866 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 53.5 t -106.14 139.07 28.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.162 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.503 ' HD3' ' CH2' ' A' ' 54' ' ' TRP . 24.6 ptt85 -148.96 132.29 16.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.877 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 19.1 m -126.56 160.95 33.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.119 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.465 ' HA ' ' CD ' ' A' ' 11' ' ' PRO . 0.0 OUTLIER -155.53 170.86 20.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 179.928 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.427 ' N ' ' HD3' ' A' ' 11' ' ' PRO . . . -95.08 135.24 36.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.12 179.829 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 55.4 t -126.46 109.8 21.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.092 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ASN . . . . . 0.73 HD22 ' N ' ' A' ' 86' ' ' ASN . 0.5 OUTLIER -117.6 160.85 20.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.89 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -55.01 -14.37 1.48 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.124 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -85.11 -35.94 21.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.135 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 173.18 -125.77 1.18 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.508 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -157.01 159.64 38.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.821 0.343 . . . . 0.0 111.071 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.0 t -105.88 166.42 10.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.855 -179.781 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -61.97 143.65 94.48 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.603 0.716 . . . . 0.0 110.866 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 145.98 58.59 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.663 2.242 . . . . 0.0 112.343 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 19.4 tptp -98.38 123.51 42.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.88 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 68.5 m-85 -102.38 112.88 25.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.987 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' TYR . . . . . 0.576 ' CD2' ' CD1' ' A' ' 14' ' ' LEU . 0.3 OUTLIER -63.8 117.79 7.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.932 -179.864 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 97' ' ' SER . . . . . 0.438 ' C ' ' O ' ' A' ' 96' ' ' TYR . 1.4 t -34.63 -55.88 0.54 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.867 -179.814 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 11.3 mm100 -113.16 146.87 36.11 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.566 0.698 . . . . 0.0 110.947 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 162.02 43.7 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.684 2.256 . . . . 0.0 112.324 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.672 HD12 ' N ' ' A' ' 100' ' ' ILE . 3.0 mp -107.3 113.16 42.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.136 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.419 ' O ' HG11 ' A' ' 19' ' ' VAL . 14.0 tp -84.99 129.44 34.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.625 HG13 ' O ' ' A' ' 102' ' ' VAL . 11.2 p -78.37 67.3 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.092 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 21.4 tptt -130.84 138.67 49.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.95 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 13.5 tm-20 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.934 179.96 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.529 HG22 ' N ' ' A' ' 9' ' ' SER . 87.8 m -92.05 159.64 15.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.79 0.328 . . . . 0.0 111.142 -179.867 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.529 ' N ' HG22 ' A' ' 8' ' ' THR . 1.8 m -80.93 146.55 59.64 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.605 0.717 . . . . 0.0 110.85 -179.846 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 169.96 17.7 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.669 2.246 . . . . 0.0 112.338 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.59 ' HG2' HG23 ' A' ' 82' ' ' VAL . 53.4 Cg_endo -69.76 124.83 11.47 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.653 2.235 . . . . 0.0 112.345 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 82.4 p -105.53 167.15 9.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.145 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 38.3 mt 57.88 49.42 11.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.924 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.526 HD13 ' C ' ' A' ' 14' ' ' LEU . 2.9 tm? -81.16 109.04 15.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.902 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.485 ' CG2' ' N ' ' A' ' 16' ' ' VAL . 4.4 m -141.29 157.32 45.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.153 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.614 HG22 ' SD ' ' A' ' 26' ' ' MET . 16.6 t -74.89 133.58 31.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.158 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.561 ' HB3' HG22 ' A' ' 25' ' ' THR . 9.3 t70 -88.55 -52.48 5.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.461 ' O ' HG23 ' A' ' 19' ' ' VAL . 1.2 t -139.93 171.7 13.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.845 -179.757 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.782 HG12 ' O ' ' A' ' 103' ' ' LYS . 53.2 t -157.95 127.83 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.113 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.589 ' O ' HG23 ' A' ' 102' ' ' VAL . 3.4 m -140.01 150.1 44.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.154 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -58.63 -11.44 3.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.883 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 14.8 p -100.61 -50.61 3.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.129 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.503 HG22 ' HA ' ' A' ' 70' ' ' THR . 18.4 p -143.87 167.09 23.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.146 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.834 ' O ' HG23 ' A' ' 68' ' ' THR . 34.2 m -123.74 151.54 28.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.138 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.561 HG22 ' HB3' ' A' ' 17' ' ' ASP . 85.2 m -121.6 141.95 50.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.134 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.614 ' SD ' HG22 ' A' ' 16' ' ' VAL . 88.4 mmm -131.89 143.63 50.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 4.7 ptm180 -132.44 155.51 48.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.827 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 43.2 p90 -164.03 159.87 21.11 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.475 ' NE ' ' HA ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -101.32 145.73 30.95 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.616 0.722 . . . . 0.0 110.855 -179.936 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 169.99 17.68 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.653 2.235 . . . . 0.0 112.357 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.428 ' O ' ' C ' ' A' ' 32' ' ' ASP . 53.7 Cg_endo -69.71 126.0 12.83 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.678 2.252 . . . . 0.0 112.347 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.428 ' C ' ' O ' ' A' ' 31' ' ' PRO . 16.0 t70 -35.9 -37.64 0.11 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.853 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 59.7 t-80 -146.26 155.78 42.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.462 HD12 ' HB2' ' A' ' 39' ' ' LEU . 39.6 mm . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.176 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.367 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.47 HD21 ' CZ ' ' A' ' 42' ' ' TYR . 6.3 tp -108.88 123.4 49.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.828 0.347 . . . . 0.0 110.957 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.447 ' O ' ' C ' ' A' ' 41' ' ' GLY . 3.6 m-20 -98.85 94.53 6.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.872 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.447 ' C ' ' O ' ' A' ' 40' ' ' ASP . . . 34.25 -147.51 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.515 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.47 ' CZ ' HD21 ' A' ' 39' ' ' LEU . 1.2 m-85 -150.79 177.39 10.14 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.959 0.409 . . . . 0.0 110.886 -179.77 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 74.8 t -130.99 130.14 63.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.124 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.3 tt -128.6 132.28 48.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.973 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -133.17 177.47 7.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.904 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 23.6 p90 -153.78 128.4 9.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.401 ' HB2' ' CD2' ' A' ' 54' ' ' TRP . 41.0 t -104.63 105.73 15.94 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.904 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.486 ' HA ' HG22 ' A' ' 78' ' ' ILE . 4.1 t80 -54.01 174.73 0.05 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.845 -179.849 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -94.62 16.86 14.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.925 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -140.39 30.45 2.32 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.497 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 9.2 p -149.76 164.29 35.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.778 0.323 . . . . 0.0 111.148 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -115.62 18.08 15.98 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.896 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -135.78 155.37 50.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.819 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.606 ' CD1' ' NH2' ' A' ' 81' ' ' ARG . 85.4 m95 -88.75 128.84 35.63 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.946 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 24.5 mt -90.22 128.37 42.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.109 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 77.4 t -72.06 115.3 12.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.152 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -80.56 -57.78 3.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.114 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.436 ' HB3' ' CE1' ' A' ' 67' ' ' PHE . 9.2 p-10 -95.83 114.26 25.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 4.0 tmtm? -56.19 -47.33 78.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.889 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -110.39 158.62 18.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.833 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 18.5 mt -46.97 144.39 2.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.934 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 16.7 mt -91.7 132.85 35.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.107 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -94.48 -36.99 11.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 5.0 pttt -84.98 146.69 27.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.849 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 39.0 p -75.84 -3.91 37.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.115 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 19.0 ttmt -114.5 137.83 51.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.866 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.436 ' CE1' ' HB3' ' A' ' 58' ' ' ASN . 46.2 t80 -141.23 156.55 45.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.895 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.834 HG23 ' O ' ' A' ' 24' ' ' VAL . 41.0 m -144.97 118.25 8.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.142 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.474 HD12 ' CG2' ' A' ' 24' ' ' VAL . 16.7 mt -70.6 147.4 11.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.131 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.503 ' HA ' HG22 ' A' ' 23' ' ' THR . 28.7 p -121.4 141.22 51.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.132 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 80.28 70.24 1.35 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.51 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 14.0 mt -131.34 132.97 23.94 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.597 0.713 . . . . 0.0 110.903 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 128.32 15.89 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.68 2.254 . . . . 0.0 112.385 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 18.0 m -54.45 142.72 26.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.144 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 23.4 t70 61.45 50.48 4.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.822 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.438 ' C ' HD12 ' A' ' 101' ' ' LEU . . . -127.88 135.45 50.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.108 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 78.9 mttt -92.17 129.57 38.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.935 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.486 HG22 ' HA ' ' A' ' 48' ' ' PHE . 2.8 pp -141.82 154.96 19.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.13 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.569 ' CE1' ' HB3' ' A' ' 99' ' ' PRO . 40.4 m-85 -103.81 143.49 32.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.862 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 57.9 t -125.85 129.52 72.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.143 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.606 ' NH2' ' CD1' ' A' ' 54' ' ' TRP . 30.6 ptt180 -140.23 130.86 25.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.864 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.59 HG23 ' HG2' ' A' ' 11' ' ' PRO . 33.1 m -120.14 152.03 22.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.116 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 28.7 pttt -150.71 159.32 44.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -98.37 129.78 45.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.112 179.781 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 89.7 t -119.92 120.92 64.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.16 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ASN . . . . . 0.408 ' OD1' ' N ' ' A' ' 86' ' ' ASN . 0.7 OUTLIER -128.29 176.19 7.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -44.94 -52.14 9.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.108 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -49.24 -41.5 37.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.083 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 162.04 -144.06 9.37 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.521 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -118.52 162.82 17.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.773 0.32 . . . . 0.0 111.061 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 2.2 m -105.29 159.01 16.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.849 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -59.39 143.5 85.48 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.633 0.73 . . . . 0.0 110.877 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.83 152.79 69.03 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.691 2.261 . . . . 0.0 112.36 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 5.5 tmtm? -116.5 113.15 22.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.922 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -94.58 115.27 27.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.905 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' TYR . . . . . 0.5 ' CD1' ' N ' ' A' ' 97' ' ' SER . 37.5 t80 -57.33 167.45 0.95 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.894 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' SER . . . . . 0.5 ' N ' ' CD1' ' A' ' 96' ' ' TYR . 25.8 t -63.37 -72.64 0.13 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.819 -179.847 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 73.1 mt-30 -109.58 153.12 43.05 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.591 0.71 . . . . 0.0 110.935 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' PRO . . . . . 0.569 ' HB3' ' CE1' ' A' ' 79' ' ' PHE . 53.8 Cg_endo -69.82 127.78 15.03 Favored 'Trans proline' 0 N--CA 1.465 -0.168 0 C-N-CA 122.687 2.258 . . . . 0.0 112.369 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.77 HD12 ' H ' ' A' ' 100' ' ' ILE . 4.4 mp -68.98 131.75 33.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.09 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.438 HD12 ' C ' ' A' ' 76' ' ' ALA . 12.2 tp -108.03 95.7 5.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.931 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.589 HG23 ' O ' ' A' ' 20' ' ' THR . 4.7 p -41.6 102.61 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.143 179.804 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' LYS . . . . . 0.782 ' O ' HG12 ' A' ' 19' ' ' VAL . 26.6 tptp -142.97 154.1 43.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.41 ' N ' ' HG3' ' A' ' 103' ' ' LYS . 4.0 tm-20 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.857 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.378 0 N-CA-C 112.526 -0.23 . . . . 0.0 112.526 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -111.34 148.9 31.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.793 0.33 . . . . 0.0 111.159 -179.86 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.3 m -78.26 149.9 76.51 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.684 0.754 . . . . 0.0 110.858 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 168.08 22.64 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.668 2.246 . . . . 0.0 112.319 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 136.15 32.28 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.686 2.258 . . . . 0.0 112.341 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 41.2 p -127.18 169.05 13.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.096 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 28.4 mt 61.63 50.95 4.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.893 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.505 HD22 ' N ' ' A' ' 15' ' ' THR . 1.9 tm? -92.85 117.48 30.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.9 179.853 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.505 ' N ' HD22 ' A' ' 14' ' ' LEU . 4.4 m -148.08 153.28 38.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.171 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.665 HG22 ' SD ' ' A' ' 26' ' ' MET . 5.9 t -81.62 105.41 11.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.124 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -61.24 -65.98 0.61 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.502 ' O ' HG23 ' A' ' 19' ' ' VAL . 2.0 m -123.47 174.89 7.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.857 -179.778 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.502 HG23 ' O ' ' A' ' 18' ' ' SER . 39.0 t -158.35 129.08 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.156 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -127.64 151.24 49.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.146 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 15.7 p-10 -65.93 -5.34 9.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.833 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.508 ' O ' HG23 ' A' ' 23' ' ' THR . 12.8 p -110.43 -29.31 8.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.129 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.581 HG22 ' HA ' ' A' ' 70' ' ' THR . 21.9 p -158.84 167.89 28.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.123 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.932 ' O ' HG23 ' A' ' 68' ' ' THR . 20.1 m -118.85 165.57 14.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.117 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 89.8 m -133.91 117.51 16.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.148 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.665 ' SD ' HG22 ' A' ' 16' ' ' VAL . 81.3 mmm -115.71 118.19 32.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.862 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.402 ' HD3' ' C ' ' A' ' 27' ' ' ARG . 0.0 OUTLIER -109.36 154.22 22.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.847 -179.943 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 40.6 p90 -158.27 170.08 23.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 25.1 mtp180 -121.68 161.43 41.87 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.594 0.711 . . . . 0.0 110.88 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 165.67 30.1 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.684 2.256 . . . . 0.0 112.35 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 175.29 8.31 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.668 2.245 . . . . 0.0 112.331 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -48.09 -40.15 22.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.908 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 5.0 t60 -173.54 156.21 2.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.879 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 26.3 mm . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.113 179.999 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.801 HD12 ' OD1' ' A' ' 86' ' ' ASN . 4.4 tp -133.69 137.51 45.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.809 0.337 . . . . 0.0 110.916 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -124.39 96.15 4.8 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 179.801 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.44 ' C ' ' CD1' ' A' ' 42' ' ' TYR . . . 44.9 -168.36 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.493 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.592 ' N ' ' CD1' ' A' ' 42' ' ' TYR . 0.1 OUTLIER -139.69 171.64 13.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.938 0.399 . . . . 0.0 110.892 -179.777 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.469 HG21 HG21 ' A' ' 85' ' ' VAL . 94.3 t -114.35 133.46 60.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.137 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.424 ' O ' ' HB3' ' A' ' 57' ' ' ALA . 6.0 tt -136.2 134.17 37.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.919 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -141.93 163.62 32.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 27.4 p90 -136.11 137.43 41.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.509 ' HB2' ' CD2' ' A' ' 54' ' ' TRP . 46.8 t -108.28 121.8 45.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.864 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -83.92 144.1 29.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.905 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -60.09 106.52 0.52 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.863 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 107.56 40.4 1.76 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.501 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 26.2 p -124.7 171.51 10.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.78 0.324 . . . . 0.0 111.136 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 69.7 mm-40 -104.82 -36.58 7.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.911 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -135.64 144.06 45.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.86 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.52 ' CH2' ' HD2' ' A' ' 81' ' ' ARG . 54.6 m95 -52.23 151.76 3.71 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.96 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 5.2 mp -100.03 112.24 32.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.147 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 91.8 t -53.38 116.91 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.144 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.424 ' HB3' ' O ' ' A' ' 44' ' ' LEU . . . -81.6 -63.38 1.41 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.111 179.847 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 9.3 p-10 -76.85 157.46 31.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.899 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 9.7 mmtp -79.93 -63.05 1.5 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.923 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.403 ' C ' ' HG ' ' A' ' 61' ' ' LEU . 0.8 OUTLIER -114.36 -66.91 1.04 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 179.874 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.403 ' HG ' ' C ' ' A' ' 60' ' ' ASP . 12.9 mt -149.86 168.55 23.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.887 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.535 HG22 ' O ' ' A' ' 64' ' ' LYS . 24.2 mt -111.79 103.8 16.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.155 179.826 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -56.12 -62.91 1.39 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.535 ' O ' HG22 ' A' ' 62' ' ' ILE . 2.5 mmpt? -74.05 161.77 29.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.878 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -81.18 13.1 3.0 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.13 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 10.5 mmtm -122.86 160.28 26.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.88 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 22.9 t80 -163.03 145.7 10.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.932 HG23 ' O ' ' A' ' 24' ' ' VAL . 61.5 m -132.47 132.58 42.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.126 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.496 ' O ' HG22 ' A' ' 23' ' ' THR . 65.0 mt -86.41 134.15 28.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.139 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.581 ' HA ' HG22 ' A' ' 23' ' ' THR . 65.5 p -111.52 129.33 56.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.141 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 94.83 69.62 1.07 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.493 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 15.2 mt -130.11 126.45 22.34 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.532 0.682 . . . . 0.0 110.964 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.496 ' O ' ' HB3' ' A' ' 76' ' ' ALA . 53.3 Cg_endo -69.78 130.99 20.28 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.696 2.264 . . . . 0.0 112.281 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.462 HG22 ' N ' ' A' ' 75' ' ' ASP . 57.7 m -49.46 156.81 0.58 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.106 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.462 ' N ' HG22 ' A' ' 74' ' ' THR . 0.9 OUTLIER 46.63 41.38 9.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.831 179.897 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.548 ' O ' HG12 ' A' ' 102' ' ' VAL . . . -120.38 127.33 52.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.09 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 66.9 mttt -93.49 133.51 36.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.89 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 17.3 pt -137.4 156.45 33.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.154 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -98.04 154.36 17.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.498 HG11 ' HE2' ' A' ' 26' ' ' MET . 73.2 t -136.01 136.18 49.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.14 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.52 ' HD2' ' CH2' ' A' ' 54' ' ' TRP . 5.4 ptm180 -153.44 133.5 13.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.876 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 10.0 m -125.14 164.17 24.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.091 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 8.6 pttm -154.42 171.81 18.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.865 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -105.16 101.76 11.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.144 179.782 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.469 HG21 HG21 ' A' ' 43' ' ' VAL . 40.7 t -104.39 108.91 25.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.155 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ASN . . . . . 0.801 ' OD1' HD12 ' A' ' 39' ' ' LEU . 0.0 OUTLIER -125.51 -179.59 4.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -51.12 -42.18 60.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.1 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -57.97 -48.13 80.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.113 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 171.27 -133.46 2.76 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.502 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -136.62 155.94 49.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.786 0.327 . . . . 0.0 111.072 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.3 t -109.28 157.93 18.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -52.04 142.7 26.12 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.671 0.748 . . . . 0.0 110.839 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 153.85 68.61 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.71 2.274 . . . . 0.0 112.336 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 4.9 tppt? -104.01 99.27 9.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.937 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 63.5 m-85 -81.82 117.31 22.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.927 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' TYR . . . . . 0.424 ' O ' ' C ' ' A' ' 97' ' ' SER . 1.2 t80 -71.32 122.23 19.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.91 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' SER . . . . . 0.424 ' C ' ' O ' ' A' ' 96' ' ' TYR . 32.8 m -36.4 -70.15 0.1 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.829 -179.824 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -102.81 154.16 37.71 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.562 0.696 . . . . 0.0 110.907 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 162.63 41.33 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.694 2.263 . . . . 0.0 112.345 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.754 HD12 ' N ' ' A' ' 100' ' ' ILE . 1.9 mp -101.85 134.6 41.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.116 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 19.8 tp -100.97 141.49 33.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.911 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.548 HG12 ' O ' ' A' ' 76' ' ' ALA . 5.5 p -100.1 76.62 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.099 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 10.2 tptm -133.8 139.11 46.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.936 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 10.1 tm-20 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.885 179.965 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -133.49 164.0 28.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.786 0.326 . . . . 0.0 111.135 -179.85 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -92.5 143.75 27.72 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.623 0.725 . . . . 0.0 110.883 -179.863 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 168.68 20.83 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.669 2.246 . . . . 0.0 112.331 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 122.69 9.36 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.645 2.23 . . . . 0.0 112.336 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 64.0 p -110.69 -175.42 2.71 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.154 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 33.5 mt 50.72 40.47 24.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.683 HD13 ' C ' ' A' ' 14' ' ' LEU . 3.0 tm? -86.92 109.81 19.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.913 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.46 ' CG2' ' N ' ' A' ' 16' ' ' VAL . 4.5 m -142.87 155.84 44.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.17 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.512 HG23 ' CE2' ' A' ' 96' ' ' TYR . 5.3 t -77.13 94.73 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.131 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -51.67 -62.15 1.8 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 4.7 m -141.04 164.63 29.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.467 HG13 HG12 ' A' ' 24' ' ' VAL . 46.6 t -144.32 133.43 18.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.141 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.456 ' O ' ' N ' ' A' ' 22' ' ' THR . 1.3 m -128.28 131.14 48.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.114 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -38.67 -28.0 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.866 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.456 ' N ' ' O ' ' A' ' 20' ' ' THR . 1.2 p -88.02 -57.33 2.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.143 -179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 22.3 p -133.47 158.09 43.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.161 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.467 HG12 HG13 ' A' ' 19' ' ' VAL . 31.8 m -111.59 147.97 15.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.124 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.442 ' CG2' ' HE2' ' A' ' 66' ' ' LYS . 13.7 m -113.67 142.26 46.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.137 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 96.4 mmm -133.68 146.15 50.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.936 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 7.7 ptt180 -129.43 152.53 48.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.847 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.475 ' HH2' HG21 ' A' ' 62' ' ' ILE . 16.8 p90 -160.04 171.09 19.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.948 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 22.9 mtt180 -132.72 154.21 81.37 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.596 0.712 . . . . 0.0 110.847 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.84 169.95 17.82 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.669 2.246 . . . . 0.0 112.326 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 153.95 68.42 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.729 2.286 . . . . 0.0 112.346 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.493 ' O ' ' CG ' ' A' ' 33' ' ' HIS . 19.3 t0 -40.33 -41.72 1.41 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.825 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.507 ' C ' HD13 ' A' ' 34' ' ' ILE . 55.4 m-70 -166.49 171.46 11.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.879 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.507 HD13 ' C ' ' A' ' 33' ' ' HIS . 3.1 mm . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.105 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.421 HD21 ' CZ ' ' A' ' 42' ' ' TYR . 6.4 tp -82.33 128.41 34.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.8 0.333 . . . . 0.0 110.889 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.425 ' O ' ' C ' ' A' ' 41' ' ' GLY . 15.3 m-20 -104.93 95.36 5.81 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.87 179.822 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.444 ' C ' ' CG ' ' A' ' 42' ' ' TYR . . . 35.35 -140.83 0.16 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.494 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.444 ' CG ' ' C ' ' A' ' 41' ' ' GLY . 1.1 m-85 -157.09 168.49 27.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.89 0.376 . . . . 0.0 110.949 -179.824 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 91.1 t -127.51 130.27 70.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.113 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.508 HD12 ' CG1' ' A' ' 82' ' ' VAL . 5.3 tt -124.14 141.69 51.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.872 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.449 ' N ' HD23 ' A' ' 44' ' ' LEU . 78.6 mt-10 -145.76 155.13 42.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 13.5 p90 -130.54 129.25 42.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.901 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.497 ' HB2' ' CD2' ' A' ' 54' ' ' TRP . 41.6 t -101.94 100.47 10.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.911 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 5.9 t80 -55.76 164.7 1.05 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -75.68 -31.62 59.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.926 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -99.41 42.55 1.98 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.47 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 2.2 p -142.45 165.96 25.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.754 0.311 . . . . 0.0 111.125 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -108.08 -38.49 5.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.904 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -112.31 151.15 30.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.894 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.497 ' CD2' ' HB2' ' A' ' 47' ' ' CYS . 71.8 m95 -59.64 151.46 24.74 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 28.5 mt -106.35 98.21 6.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.143 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 76.8 t -40.42 122.35 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.126 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -92.14 -50.12 5.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.151 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 16.3 p-10 -87.75 162.64 16.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 25.6 tptp -84.75 -56.25 3.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.901 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -123.21 -65.09 1.11 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.84 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 85.4 mt -153.33 154.93 35.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.94 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.475 HG21 ' HH2' ' A' ' 28' ' ' TRP . 18.2 mt -102.86 124.84 57.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.092 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 34.2 m-20 -87.05 -46.81 9.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.866 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 26.8 mtpp -66.38 160.57 24.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.9 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -87.31 2.22 50.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.151 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.442 ' HE2' ' CG2' ' A' ' 25' ' ' THR . 12.6 mtpt -129.12 152.24 48.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.907 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 32.5 t80 -143.47 149.67 37.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.909 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 97.1 m -133.14 118.43 18.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.149 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 58.0 mt -74.5 132.32 33.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.123 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 35.7 p -105.55 134.91 47.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.126 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 86.03 75.61 1.25 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.474 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 18.1 mt -137.05 127.53 16.06 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.576 0.703 . . . . 0.0 110.944 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 131.1 20.49 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.693 2.262 . . . . 0.0 112.37 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.525 HG22 ' OD2' ' A' ' 75' ' ' ASP . 50.2 m -52.94 144.18 15.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.141 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.525 ' OD2' HG22 ' A' ' 74' ' ' THR . 16.0 m-20 61.58 45.13 8.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.842 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.582 ' O ' HG12 ' A' ' 102' ' ' VAL . . . -123.56 142.16 51.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.099 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 79.1 mttt -104.36 136.16 44.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.921 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 33.0 pt -143.05 156.67 17.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.148 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 86.8 m-85 -103.68 122.01 44.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.901 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.502 HG13 HD21 ' A' ' 44' ' ' LEU . 83.1 t -108.04 138.35 35.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.095 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.44 ' HG2' ' CZ3' ' A' ' 54' ' ' TRP . 25.1 ptt180 -151.42 138.04 18.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.836 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.508 ' CG1' HD12 ' A' ' 44' ' ' LEU . 4.8 m -116.42 147.32 19.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.084 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 4.3 mtmm -132.84 140.91 48.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.884 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -88.3 110.57 20.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.105 179.81 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 77.3 t -99.66 129.88 49.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.12 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ASN . . . . . 0.461 ' N ' ' ND2' ' A' ' 86' ' ' ASN . 0.3 OUTLIER -132.21 174.47 10.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.834 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.56 -41.33 80.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.117 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.15 -52.72 62.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.121 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -175.99 -126.91 0.99 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.494 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -145.42 153.77 41.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.787 0.327 . . . . 0.0 111.099 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 7.5 t -101.03 169.16 9.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.859 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -59.1 144.03 83.42 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.688 0.756 . . . . 0.0 110.88 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 146.57 60.41 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.669 2.246 . . . . 0.0 112.349 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 34.0 tptt -95.95 104.13 16.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.887 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 50.3 m-85 -88.02 122.45 31.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.917 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' TYR . . . . . 0.512 ' CE2' HG23 ' A' ' 16' ' ' VAL . 2.0 t80 -71.88 132.57 44.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.878 -179.888 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 3.3 t -46.14 -70.49 0.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.864 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -103.03 147.49 34.2 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.613 0.721 . . . . 0.0 110.872 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 148.84 65.73 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.677 2.251 . . . . 0.0 112.344 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.466 HD12 ' H ' ' A' ' 100' ' ' ILE . 5.0 mp -86.11 142.38 13.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.129 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.48 ' O ' ' N ' ' A' ' 103' ' ' LYS . 45.2 tp -114.25 102.55 10.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.906 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.59 HG22 ' O ' ' A' ' 102' ' ' VAL . 1.8 p -55.68 82.84 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.132 179.85 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 103' ' ' LYS . . . . . 0.48 ' N ' ' O ' ' A' ' 101' ' ' LEU . 12.8 tptp -142.29 135.01 28.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.9 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.931 179.936 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.611 HG22 ' N ' ' A' ' 9' ' ' SER . 56.9 m -94.23 164.97 12.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.782 0.325 . . . . 0.0 111.143 -179.87 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.611 ' N ' HG22 ' A' ' 8' ' ' THR . 1.9 m -88.32 150.01 46.0 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.621 0.724 . . . . 0.0 110.866 -179.85 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 169.48 18.85 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.655 2.236 . . . . 0.0 112.315 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.556 ' HD3' ' HB2' ' A' ' 84' ' ' ALA . 54.5 Cg_endo -69.72 148.32 65.06 Favored 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.66 2.24 . . . . 0.0 112.374 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 53.7 p -134.32 177.36 7.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.118 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.9 mt 55.51 53.3 9.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.967 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.438 HD12 ' HD1' ' A' ' 96' ' ' TYR . 2.0 tm? -83.59 118.78 24.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.948 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.432 HG22 ' N ' ' A' ' 16' ' ' VAL . 41.0 m -142.82 154.98 44.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.156 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.432 ' N ' HG22 ' A' ' 15' ' ' THR . 3.6 t -89.0 112.79 24.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.116 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -70.16 -49.67 48.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.842 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.2 t -159.15 153.52 24.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.862 -179.719 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 19.2 t -142.5 130.08 19.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.12 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.74 HG22 ' H ' ' A' ' 21' ' ' ASP . 0.6 OUTLIER -108.14 -178.2 3.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.116 -179.935 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.74 ' H ' HG22 ' A' ' 20' ' ' THR . 4.2 m-20 -87.97 -5.22 58.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -125.13 -21.21 4.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.147 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.473 HG22 ' HA ' ' A' ' 70' ' ' THR . 36.0 p -145.39 166.1 26.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.1 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.712 ' CG2' HD12 ' A' ' 69' ' ' ILE . 15.9 m -134.09 135.62 54.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.114 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.7 m -104.6 130.91 52.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.152 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.436 ' CE ' HG11 ' A' ' 80' ' ' VAL . 97.9 mmm -129.78 125.23 35.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.9 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.41 ' HD3' ' C ' ' A' ' 27' ' ' ARG . 0.1 OUTLIER -117.19 146.82 42.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.85 -179.92 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.436 ' HB3' HD23 ' A' ' 14' ' ' LEU . 41.5 p90 -140.42 177.7 7.82 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.907 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 5.1 mmm180 -120.3 150.38 51.54 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.602 0.715 . . . . 0.0 110.885 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 162.62 41.37 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.716 2.278 . . . . 0.0 112.333 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.521 ' HG2' HD13 ' A' ' 34' ' ' ILE . 54.2 Cg_endo -69.71 142.23 47.59 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.719 2.279 . . . . 0.0 112.339 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -42.31 -49.41 5.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.846 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 56.7 t-80 -136.35 147.73 47.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.828 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.521 HD13 ' HG2' ' A' ' 31' ' ' PRO . 20.6 mm . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.11 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 7.4 tp -79.89 132.91 36.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.859 0.361 . . . . 0.0 110.926 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -115.87 97.91 6.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.434 ' C ' ' CG ' ' A' ' 42' ' ' TYR . . . 41.15 -145.87 0.49 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.507 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.434 ' CG ' ' C ' ' A' ' 41' ' ' GLY . 0.2 OUTLIER -155.61 173.48 16.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.92 0.391 . . . . 0.0 110.957 -179.827 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 59.5 t -127.62 131.44 70.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.127 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.748 HD12 ' CG1' ' A' ' 82' ' ' VAL . 4.2 tp -111.47 135.52 51.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.862 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 55.0 mt-10 -144.72 132.4 21.1 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.865 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 20.2 p90 -124.44 131.48 53.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.923 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 1.2 t -96.45 122.56 39.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.884 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -86.42 137.29 32.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.466 ' CD ' ' N ' ' A' ' 50' ' ' GLY . 2.8 pp20? -54.77 -40.0 68.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.868 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.466 ' N ' ' CD ' ' A' ' 49' ' ' GLU . . . -69.21 -18.76 73.44 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.532 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 78.8 p -107.39 179.38 4.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.733 0.302 . . . . 0.0 111.115 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -120.77 -35.91 3.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.899 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -89.84 150.35 22.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.886 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 63.0 m95 -71.69 138.33 48.48 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 5.4 mp -101.95 142.01 17.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.126 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 1.6 p -93.36 150.15 4.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.153 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -107.89 -40.04 5.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.114 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 16.9 p-10 -89.71 150.39 22.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.883 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.452 ' HG2' ' N ' ' A' ' 60' ' ' ASP . 0.0 OUTLIER -82.87 -32.98 27.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.916 179.899 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.452 ' N ' ' HG2' ' A' ' 59' ' ' LYS . 2.0 t70 -133.48 -70.99 0.52 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.822 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 37.3 mt -155.27 162.16 40.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.917 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.535 HG22 ' H ' ' A' ' 64' ' ' LYS . 20.9 mt -105.6 113.07 41.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.09 179.848 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -89.87 37.35 0.88 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.853 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.535 ' H ' HG22 ' A' ' 62' ' ' ILE . 0.0 OUTLIER -155.27 139.8 16.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.871 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 5.0 p -67.05 -3.53 7.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.129 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.7 mmmm -121.44 166.59 13.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.536 ' CD1' ' N ' ' A' ' 68' ' ' THR . 24.8 t80 -166.62 156.47 11.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.536 ' N ' ' CD1' ' A' ' 67' ' ' PHE . 31.4 m -144.08 128.32 17.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.151 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.712 HD12 ' CG2' ' A' ' 24' ' ' VAL . 17.9 mt -91.92 140.21 16.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.087 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.473 ' HA ' HG22 ' A' ' 23' ' ' THR . 73.1 p -119.64 137.21 54.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.176 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 94.11 61.31 1.09 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.482 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 36.6 mt -131.43 132.89 23.83 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.627 0.727 . . . . 0.0 110.89 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.659 ' O ' HG11 ' A' ' 102' ' ' VAL . 53.9 Cg_endo -69.79 146.04 58.81 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.642 2.228 . . . . 0.0 112.371 179.858 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.601 HG23 ' OD1' ' A' ' 21' ' ' ASP . 22.1 m -73.36 153.25 40.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.12 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 7.9 t70 57.84 37.7 27.03 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -115.99 149.57 38.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.075 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.593 ' HG2' HD22 ' A' ' 101' ' ' LEU . 31.5 mttt -107.99 135.39 49.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.887 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 32.9 pt -146.76 154.16 12.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.141 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -102.12 131.55 48.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.905 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.603 ' CG2' HD13 ' A' ' 100' ' ' ILE . 79.2 t -106.82 144.61 15.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.124 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 20.9 ptt180 -159.44 133.61 7.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.875 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.748 ' CG1' HD12 ' A' ' 44' ' ' LEU . 1.7 m -125.28 144.82 33.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.145 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -133.72 174.51 10.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.556 ' HB2' ' HD3' ' A' ' 11' ' ' PRO . . . -117.12 131.25 56.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.112 179.838 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 76.0 t -117.99 129.56 74.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.141 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -145.49 179.03 7.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.873 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -49.38 -51.38 35.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.136 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -47.51 -52.29 17.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.067 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 170.15 -130.04 1.94 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.458 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -134.57 143.82 47.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.787 0.327 . . . . 0.0 111.092 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.7 t -101.32 152.78 20.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.845 -179.79 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -57.42 142.08 77.07 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.625 0.726 . . . . 0.0 110.889 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.5 ' HG2' ' CE1' ' A' ' 95' ' ' TYR . 53.9 Cg_endo -69.74 148.7 65.76 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.717 2.278 . . . . 0.0 112.342 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 2.9 tppt? -92.0 113.22 25.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.93 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' TYR . . . . . 0.5 ' CE1' ' HG2' ' A' ' 93' ' ' PRO . 58.4 m-85 -91.28 120.36 32.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.891 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' TYR . . . . . 0.438 ' HD1' HD12 ' A' ' 14' ' ' LEU . 27.9 t80 -68.01 166.59 15.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.911 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 67.9 p -62.9 -74.28 0.1 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.9 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -105.29 159.31 29.87 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.572 0.701 . . . . 0.0 110.946 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 147.72 63.59 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.734 2.289 . . . . 0.0 112.363 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.603 HD13 ' CG2' ' A' ' 80' ' ' VAL . 5.2 mp -88.59 129.46 39.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.11 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.593 HD22 ' HG2' ' A' ' 77' ' ' LYS . 0.1 OUTLIER -99.46 110.43 22.91 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.88 179.913 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.659 HG11 ' O ' ' A' ' 73' ' ' PRO . 7.3 p -59.45 82.38 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.166 179.806 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 103' ' ' LYS . . . . . 0.424 ' N ' ' O ' ' A' ' 101' ' ' LEU . 14.0 tptp -143.42 146.57 33.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.947 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.891 179.957 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.521 HG22 ' N ' ' A' ' 9' ' ' SER . 46.1 m -100.46 159.92 14.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.789 0.328 . . . . 0.0 111.125 -179.839 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.521 ' N ' HG22 ' A' ' 8' ' ' THR . 17.7 m -78.83 148.86 73.2 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.684 0.754 . . . . 0.0 110.849 -179.86 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 168.79 20.55 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.647 2.232 . . . . 0.0 112.347 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 122.41 9.08 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.668 2.245 . . . . 0.0 112.319 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 79.5 p -106.53 -177.56 3.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.164 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.685 HD13 ' NH1' ' A' ' 29' ' ' ARG . 33.3 mt 49.39 49.63 19.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.919 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.477 HD13 ' C ' ' A' ' 14' ' ' LEU . 3.4 tm? -86.97 112.99 22.35 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.934 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 21.3 m -153.97 143.2 21.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.151 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.418 HG22 ' SD ' ' A' ' 26' ' ' MET . 2.8 t -64.48 146.76 12.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.103 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -106.52 -56.98 2.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.854 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 33.0 p -138.13 148.36 44.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.841 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 77.4 t -131.86 125.2 54.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.094 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.686 HG23 ' CD ' ' A' ' 104' ' ' GLU . 0.8 OUTLIER -132.19 128.0 37.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.137 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.54 ' HA ' HG22 ' A' ' 102' ' ' VAL . 2.7 p-10 -35.46 -33.19 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.858 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.456 ' N ' ' O ' ' A' ' 20' ' ' THR . 29.3 p -71.11 -54.1 12.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.141 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 20.6 p -152.27 162.48 41.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.139 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.419 ' CG2' HD12 ' A' ' 69' ' ' ILE . 34.5 m -104.35 164.85 3.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.149 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 68.6 m -134.78 122.42 22.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.12 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.685 ' HG3' HG11 ' A' ' 80' ' ' VAL . 79.7 mmm -112.66 130.25 56.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.856 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 4.8 ptm180 -115.09 149.48 37.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.862 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 26.1 p90 -163.37 174.32 12.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.924 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.685 ' NH1' HD13 ' A' ' 13' ' ' LEU . 31.2 mtt85 -129.25 156.68 77.97 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.587 0.708 . . . . 0.0 110.884 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 168.71 20.71 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.66 2.24 . . . . 0.0 112.358 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.409 ' HG2' HD13 ' A' ' 34' ' ' ILE . 53.9 Cg_endo -69.75 136.98 34.42 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.752 2.301 . . . . 0.0 112.322 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -39.46 -42.77 1.15 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.872 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 28.6 m170 -133.58 162.64 31.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.871 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.495 ' HA ' HG23 ' A' ' 8' ' ' THR . 3.2 mm . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.15 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.493 HD12 ' OD1' ' A' ' 86' ' ' ASN . 8.0 tp -133.61 135.56 44.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.784 0.326 . . . . 0.0 110.87 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.423 ' O ' ' C ' ' A' ' 41' ' ' GLY . 36.1 m-20 -121.39 96.67 5.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.84 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.423 ' C ' ' O ' ' A' ' 40' ' ' ASP . . . 36.54 -151.72 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.432 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -148.65 177.59 9.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.89 0.376 . . . . 0.0 110.967 -179.804 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.425 ' CG2' HG21 ' A' ' 85' ' ' VAL . 23.3 t -133.92 142.09 42.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.169 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.574 ' C ' HD23 ' A' ' 44' ' ' LEU . 7.7 tt -138.9 135.83 34.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.946 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.403 ' N ' HD23 ' A' ' 44' ' ' LEU . 5.8 mt-10 -138.01 158.07 45.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.856 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 8.0 p90 -137.38 133.5 34.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.926 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.451 ' HB2' ' CD2' ' A' ' 54' ' ' TRP . 1.2 t -103.2 127.98 50.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.874 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -87.27 141.78 28.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.915 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -62.02 -27.28 68.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.864 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -75.62 -18.17 79.85 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.449 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 66.4 p -122.34 144.12 49.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.75 0.309 . . . . 0.0 111.157 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -91.55 27.87 1.88 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -138.85 152.4 47.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.839 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.451 ' CD2' ' HB2' ' A' ' 47' ' ' CYS . 79.9 m95 -83.23 122.13 28.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.942 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 27.8 mt -90.2 101.8 12.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.118 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.459 HG12 ' O ' ' A' ' 58' ' ' ASN . 91.7 t -56.3 124.71 10.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.124 179.833 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -84.17 -54.27 4.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.128 179.813 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.459 ' O ' HG12 ' A' ' 56' ' ' VAL . 1.0 OUTLIER -74.85 149.04 39.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.883 -179.942 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.408 ' N ' ' OD1' ' A' ' 58' ' ' ASN . 24.2 mtpt -87.46 -65.57 1.0 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.929 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -102.55 -68.24 0.84 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.847 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 95.6 mt -155.35 159.58 40.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.91 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.645 HG22 ' H ' ' A' ' 64' ' ' LYS . 45.7 mt -103.64 126.8 58.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.137 179.832 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 43.3 t0 -108.06 38.01 2.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.87 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.645 ' H ' HG22 ' A' ' 62' ' ' ILE . 10.3 pttm -149.9 146.09 26.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.913 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 16.7 p -76.89 3.11 12.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.108 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 63.8 mttt -141.85 138.38 32.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.936 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.497 ' CD1' ' N ' ' A' ' 68' ' ' THR . 22.4 t80 -129.04 151.69 49.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.902 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.497 ' N ' ' CD1' ' A' ' 67' ' ' PHE . 64.7 m -134.15 117.53 16.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.158 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.419 HD12 ' CG2' ' A' ' 24' ' ' VAL . 15.6 mt -79.22 107.81 12.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.095 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 62.6 p -83.78 129.63 34.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.137 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 96.28 70.76 1.06 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.487 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 17.5 mt -133.85 126.06 18.61 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.633 0.73 . . . . 0.0 110.911 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 133.1 24.64 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.706 2.271 . . . . 0.0 112.322 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.492 HG22 ' CG ' ' A' ' 75' ' ' ASP . 88.2 m -58.7 143.01 48.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.135 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.492 ' CG ' HG22 ' A' ' 74' ' ' THR . 6.0 m-20 70.34 29.9 3.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.853 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.663 ' O ' HG12 ' A' ' 102' ' ' VAL . . . -113.79 141.27 47.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.09 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 26.6 mttm -108.12 136.46 47.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.923 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.405 ' C ' HD12 ' A' ' 78' ' ' ILE . 2.7 pp -141.87 159.12 20.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.117 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 54.3 m-85 -104.16 132.34 50.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.917 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.685 HG11 ' HG3' ' A' ' 26' ' ' MET . 74.9 t -112.01 132.22 61.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.125 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 34.6 ptt180 -146.45 128.13 15.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.847 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 34.0 m -125.97 152.63 33.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.161 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.8 167.94 22.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -93.38 120.36 33.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.073 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.425 HG21 ' CG2' ' A' ' 43' ' ' VAL . 45.6 t -107.7 120.95 59.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.121 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ASN . . . . . 0.523 ' N ' ' ND2' ' A' ' 86' ' ' ASN . 0.0 OUTLIER -139.75 177.43 7.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.889 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -54.55 -46.06 73.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.084 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -47.84 -34.41 8.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.132 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 151.47 -109.36 0.42 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.498 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -155.29 151.66 28.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.78 0.324 . . . . 0.0 111.136 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 19.6 m -101.89 158.02 16.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.874 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -50.48 143.06 14.38 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.686 0.755 . . . . 0.0 110.868 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 149.4 66.73 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.696 2.264 . . . . 0.0 112.363 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 20.1 tptp -101.52 120.18 39.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.925 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 -102.55 121.8 43.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.962 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 7.1 t80 -72.77 142.58 48.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.911 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 4.9 m -48.57 -73.24 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.863 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 11.3 mm100 -108.56 151.28 41.56 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.553 0.692 . . . . 0.0 110.946 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 149.22 66.56 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.677 2.251 . . . . 0.0 112.341 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.597 HD12 ' H ' ' A' ' 100' ' ' ILE . 3.7 mp -89.62 125.98 42.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.146 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.474 ' O ' ' N ' ' A' ' 103' ' ' LYS . 37.4 tp -97.85 101.89 13.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.912 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.663 HG12 ' O ' ' A' ' 76' ' ' ALA . 2.7 p -54.67 84.05 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.089 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' LYS . . . . . 0.474 ' N ' ' O ' ' A' ' 101' ' ' LEU . 20.5 tptp -143.08 132.82 23.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.909 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.686 ' CD ' HG23 ' A' ' 20' ' ' THR . 3.1 tp10 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.914 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -92.01 150.57 20.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.854 0.359 . . . . 0.0 111.098 -179.863 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.5 t -78.69 149.3 74.33 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.701 0.762 . . . . 0.0 110.884 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.76 169.24 19.37 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.718 2.279 . . . . 0.0 112.354 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 129.65 18.0 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.68 2.253 . . . . 0.0 112.342 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 44.9 p -112.98 -177.98 3.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.139 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 80.6 mt 55.56 48.97 17.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.914 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.49 HD12 ' HD1' ' A' ' 96' ' ' TYR . 1.9 tm? -81.79 109.47 16.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.955 179.829 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 45.4 p -133.77 158.12 44.15 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.139 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.418 HG23 ' CZ ' ' A' ' 96' ' ' TYR . 21.4 t -94.78 84.4 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.115 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 16' ' ' VAL . 25.4 t70 -36.07 -60.22 0.56 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.861 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.566 ' O ' HG23 ' A' ' 19' ' ' VAL . 20.9 t -157.81 177.7 11.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.823 -179.757 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.859 HG13 HG12 ' A' ' 24' ' ' VAL . 39.8 t -160.15 147.98 6.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.126 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -133.51 158.11 43.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.128 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.708 ' OD1' HG23 ' A' ' 74' ' ' THR . 6.4 m-20 -59.75 -15.18 18.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.853 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 29.7 p -98.84 -53.32 3.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.113 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 16.6 p -139.64 163.08 33.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.114 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.859 HG12 HG13 ' A' ' 19' ' ' VAL . 31.0 m -111.5 163.82 7.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.123 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 28.8 m -132.14 127.94 37.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.15 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 99.0 mmm -115.91 160.27 20.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.901 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.439 ' HD3' ' N ' ' A' ' 28' ' ' TRP . 0.0 OUTLIER -148.94 151.54 34.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.859 -179.935 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.547 ' CZ3' HD12 ' A' ' 44' ' ' LEU . 26.5 p90 -163.62 172.63 14.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.889 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 16.2 mtt180 -123.43 154.49 65.99 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.601 0.715 . . . . 0.0 110.908 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 168.57 21.2 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.705 2.27 . . . . 0.0 112.308 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 153.9 68.33 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.722 2.282 . . . . 0.0 112.308 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -39.52 -50.01 2.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.854 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.55 ' C ' HD12 ' A' ' 34' ' ' ILE . 9.6 t-80 -162.71 157.48 21.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.866 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.707 ' N ' HD12 ' A' ' 34' ' ' ILE . 1.2 mp . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.135 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.456 -0.258 . . . . 0.0 112.456 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 7.3 tp -132.98 124.8 28.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.807 0.337 . . . . 0.0 110.912 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.412 ' O ' ' C ' ' A' ' 41' ' ' GLY . 19.9 m-20 -110.49 95.13 5.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 179.823 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.465 ' C ' ' CG ' ' A' ' 42' ' ' TYR . . . 36.84 -134.91 0.75 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.499 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.465 ' CG ' ' C ' ' A' ' 41' ' ' GLY . 1.4 m-85 -157.99 169.41 24.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.9 0.381 . . . . 0.0 110.92 -179.816 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 95.0 t -133.79 127.54 52.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.112 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.547 HD12 ' CZ3' ' A' ' 28' ' ' TRP . 8.4 tt -122.08 130.56 53.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.906 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 76.4 mt-10 -134.46 153.71 51.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.91 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 26.4 p90 -134.18 137.32 44.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.928 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.51 ' HB2' ' CD2' ' A' ' 54' ' ' TRP . 26.1 t -107.82 133.79 51.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.867 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -90.66 147.83 23.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.868 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -59.78 133.59 56.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.931 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 94.38 -48.03 2.14 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.522 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 68.0 p -74.44 118.36 17.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.745 0.307 . . . . 0.0 111.111 -179.833 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -83.33 37.82 0.58 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -144.49 138.37 27.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.851 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.51 ' CD2' ' HB2' ' A' ' 47' ' ' CYS . 85.9 m95 -82.84 135.77 34.84 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.946 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 5.2 mp -98.43 122.4 50.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.133 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.422 HG12 ' O ' ' A' ' 58' ' ' ASN . 36.8 t -70.86 130.53 34.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.178 179.811 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -93.42 -49.42 5.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.082 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.422 ' O ' HG12 ' A' ' 56' ' ' VAL . 11.3 p-10 -83.06 165.89 19.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 5.5 ptpt -91.17 -49.37 6.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.927 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 16.3 t0 -125.47 -74.92 0.6 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.838 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 43.5 mt -137.9 173.43 11.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.946 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 24.6 mt -116.47 125.19 73.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.149 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 12.7 t0 -84.07 -57.95 2.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 42.1 mttp -68.96 164.99 20.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.885 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -85.52 -4.36 59.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.131 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 17.6 mtmt -119.05 163.4 17.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.864 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.494 ' CD1' ' N ' ' A' ' 68' ' ' THR . 21.1 t80 -153.89 154.45 33.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.888 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.494 ' N ' ' CD1' ' A' ' 67' ' ' PHE . 7.3 m -130.2 123.03 29.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.116 -179.865 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.432 ' HB ' HG22 ' A' ' 24' ' ' VAL . 52.4 mt -87.22 103.65 13.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.15 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 48.8 p -86.41 137.08 32.84 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.118 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 91.87 65.19 1.14 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.507 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 19.9 mt -132.68 132.6 22.72 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.566 0.698 . . . . 0.0 110.913 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.449 ' O ' HG11 ' A' ' 102' ' ' VAL . 53.5 Cg_endo -69.78 130.74 19.84 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.673 2.248 . . . . 0.0 112.339 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.708 HG23 ' OD1' ' A' ' 21' ' ' ASP . 81.5 m -59.51 137.51 57.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.104 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 14.9 t70 69.59 49.81 0.54 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.863 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.503 ' O ' HD12 ' A' ' 101' ' ' LEU . . . -130.95 139.57 50.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.07 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 43.5 mttp -96.45 126.09 41.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.876 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 14.2 pt -139.24 146.59 25.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.151 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 64.6 m-85 -99.74 138.79 36.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 40.3 t -117.19 145.54 22.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.12 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.448 ' HG2' ' CZ3' ' A' ' 54' ' ' TRP . 4.1 ptp180 -146.84 133.46 19.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.907 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 21.1 m -126.97 128.15 70.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.111 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 28.9 pttt -131.99 163.86 27.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.939 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -100.67 135.77 41.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.107 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 87.5 t -119.69 135.11 61.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.147 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -144.4 167.59 22.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.856 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -39.02 -44.01 1.05 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.125 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -56.44 -52.8 63.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.063 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 172.39 -130.92 2.01 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.449 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -128.22 161.26 29.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.818 0.342 . . . . 0.0 111.098 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 2.8 m -104.12 167.38 9.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.859 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -62.45 142.4 96.35 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.643 0.735 . . . . 0.0 110.89 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 147.38 62.53 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.674 2.249 . . . . 0.0 112.341 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 2.2 tppt? -107.47 99.79 9.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 28.1 m-85 -84.61 116.02 22.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.927 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' TYR . . . . . 0.49 ' HD1' HD12 ' A' ' 14' ' ' LEU . 4.6 t80 -55.93 177.86 0.05 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 68.9 m -78.53 -71.53 0.43 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.848 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 47.6 mt-30 -102.72 154.14 37.71 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.61 0.719 . . . . 0.0 110.922 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 112.22 3.02 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.684 2.256 . . . . 0.0 112.334 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 15.8 mt -54.05 111.19 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.145 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.503 HD12 ' O ' ' A' ' 76' ' ' ALA . 31.9 tp -92.79 91.18 7.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.449 HG11 ' O ' ' A' ' 73' ' ' PRO . 2.5 p -39.19 93.48 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.151 179.807 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 103' ' ' LYS . . . . . 0.465 ' N ' ' O ' ' A' ' 101' ' ' LEU . 25.2 tptt -144.6 145.03 31.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.89 179.973 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 N-CA-C 112.449 -0.261 . . . . 0.0 112.449 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.1 p -90.99 173.07 8.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.832 0.349 . . . . 0.0 111.13 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 22.1 m -97.82 149.85 36.15 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.677 0.751 . . . . 0.0 110.874 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 169.75 18.2 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.631 2.221 . . . . 0.0 112.316 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.573 ' HG2' HG23 ' A' ' 82' ' ' VAL . 53.5 Cg_endo -69.76 121.07 7.77 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.676 2.25 . . . . 0.0 112.321 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 42.2 p -101.79 176.77 5.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.173 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.691 HD12 ' NE ' ' A' ' 29' ' ' ARG . 13.4 mt 56.28 45.63 22.66 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.918 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.649 HD13 ' C ' ' A' ' 14' ' ' LEU . 2.0 tm? -85.59 109.13 18.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.937 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.42 ' N ' HD13 ' A' ' 14' ' ' LEU . 5.1 t -135.0 157.63 46.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.16 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 44.8 t -77.27 89.28 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.124 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -45.4 -58.91 2.99 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 17.0 m -154.23 171.52 19.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.827 -179.709 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 1.033 HG13 HG12 ' A' ' 24' ' ' VAL . 58.2 t -151.99 136.78 10.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.115 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.529 HG23 ' OE2' ' A' ' 104' ' ' GLU . 24.9 m -133.96 137.44 44.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.203 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -38.3 -30.86 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.868 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.425 ' N ' ' O ' ' A' ' 20' ' ' THR . 38.2 p -83.55 -63.24 1.39 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.178 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 54.3 p -130.81 165.92 21.96 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.109 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 1.033 HG12 HG13 ' A' ' 19' ' ' VAL . 34.2 m -118.93 154.67 21.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.121 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 28.0 m -118.48 142.97 47.06 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.125 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.458 ' HG3' HG11 ' A' ' 80' ' ' VAL . 84.3 mmm -140.06 120.97 14.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.936 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 10.8 ptt180 -102.82 152.1 21.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.863 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 34.3 p90 -153.59 165.63 35.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.691 ' NE ' HD12 ' A' ' 13' ' ' LEU . 1.7 ttp180 -121.37 139.07 29.02 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.636 0.731 . . . . 0.0 110.848 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 166.19 28.4 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.704 2.269 . . . . 0.0 112.338 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.448 ' HG2' ' CD1' ' A' ' 34' ' ' ILE . 53.9 Cg_endo -69.75 138.99 39.18 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.697 2.265 . . . . 0.0 112.349 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -62.08 -46.92 86.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.864 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.798 ' O ' HD13 ' A' ' 34' ' ' ILE . 28.6 t-80 -93.12 141.89 27.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.862 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.798 HD13 ' O ' ' A' ' 33' ' ' HIS . 22.4 mm . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.137 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.522 ' HA2' HG22 ' A' ' 34' ' ' ILE . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.435 HD21 ' CE1' ' A' ' 42' ' ' TYR . 21.9 tp -130.17 136.58 49.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.79 0.329 . . . . 0.0 110.924 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -122.09 94.78 4.41 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.863 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 43.46 -161.66 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.512 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.435 ' CE1' HD21 ' A' ' 39' ' ' LEU . 4.7 m-85 -139.38 -178.09 5.22 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.914 0.388 . . . . 0.0 110.934 -179.792 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 95.9 t -140.21 135.67 36.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.111 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.615 HD23 ' CB ' ' A' ' 57' ' ' ALA . 4.6 tp -112.69 136.7 51.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.907 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -144.28 133.38 22.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 25.2 p90 -126.86 145.77 50.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.866 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.525 ' HB2' ' CD2' ' A' ' 54' ' ' TRP . 19.3 t -114.06 99.96 8.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.896 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.464 ' HA ' HG22 ' A' ' 78' ' ' ILE . 4.2 t80 -53.94 157.12 2.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.918 -179.871 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -70.15 -42.09 72.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.856 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -89.51 40.24 3.06 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.517 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 29.6 p -140.9 -177.52 5.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.749 0.309 . . . . 0.0 111.136 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.3 pp20? -131.59 -35.56 1.29 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.916 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -96.71 145.31 25.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.897 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.525 ' CD2' ' HB2' ' A' ' 47' ' ' CYS . 55.9 m95 -70.92 123.28 21.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 18.0 mt -87.64 138.27 19.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.104 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.426 ' O ' HG13 ' A' ' 56' ' ' VAL . 7.4 p -91.57 122.64 43.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.13 179.833 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.615 ' CB ' HD23 ' A' ' 44' ' ' LEU . . . -73.95 -34.22 64.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.087 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.514 ' HB2' ' CE2' ' A' ' 67' ' ' PHE . 1.2 t-20 -152.15 108.76 3.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.925 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -58.74 -58.26 9.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.853 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -53.05 -174.98 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.886 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 20.3 mt -97.35 134.37 40.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.927 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 6.6 mt -87.83 106.87 16.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.127 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -56.46 -65.22 0.65 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 20.6 mtmm -58.29 169.67 0.82 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.957 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 21.2 p -99.01 34.07 2.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.102 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 16.4 ttpp -158.05 135.85 10.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.842 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.514 ' CE2' ' HB2' ' A' ' 58' ' ' ASN . 35.6 t80 -131.84 156.05 46.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.848 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.423 ' N ' ' CD1' ' A' ' 67' ' ' PHE . 89.3 m -131.03 102.45 6.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.121 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.459 HD12 ' CG2' ' A' ' 24' ' ' VAL . 39.6 mt -48.89 139.35 3.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.119 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 58.5 p -112.36 128.73 56.37 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.185 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 85.47 79.81 1.14 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.511 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 20.4 mt -136.97 130.37 17.52 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.591 0.71 . . . . 0.0 110.933 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 129.14 17.05 Favored 'Trans proline' 0 N--CA 1.465 -0.195 0 C-N-CA 122.699 2.266 . . . . 0.0 112.339 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 18.4 m -59.4 143.48 49.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.1 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 14.3 t70 66.53 47.85 1.59 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -133.9 146.11 50.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.091 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.451 ' HG3' HD13 ' A' ' 101' ' ' LEU . 45.7 mttm -104.67 145.04 30.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.915 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.464 HG22 ' HA ' ' A' ' 48' ' ' PHE . 2.7 pp -153.15 156.24 5.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.148 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 37.9 m-85 -100.76 128.51 46.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.647 HG23 HD13 ' A' ' 100' ' ' ILE . 92.5 t -108.45 141.07 24.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.122 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.429 ' HG2' ' CZ3' ' A' ' 54' ' ' TRP . 46.1 ptt85 -159.56 131.96 6.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.895 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.606 ' CG1' HD12 ' A' ' 44' ' ' LEU . 14.4 m -118.97 148.04 22.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.111 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 43.1 pttt -139.88 139.53 36.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.863 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -70.33 137.93 51.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.095 179.812 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 86.4 t -125.39 129.02 73.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.148 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -143.82 173.01 12.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.904 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -42.47 -56.24 3.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.126 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -48.24 -54.15 14.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.098 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 176.59 -113.96 0.46 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.486 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -151.46 166.8 29.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.766 0.317 . . . . 0.0 111.091 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 69.6 m -105.33 166.97 10.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.848 -179.783 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -57.87 144.18 75.21 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.617 0.722 . . . . 0.0 110.903 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 142.66 48.4 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.665 2.243 . . . . 0.0 112.346 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.57 108.21 20.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.89 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 57.9 m-85 -92.79 123.28 35.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.894 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -65.26 179.37 0.75 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.898 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.2 t -79.25 -68.12 0.69 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.874 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 18.1 mm-40 -105.68 155.05 38.78 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.641 0.734 . . . . 0.0 110.888 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 125.2 11.87 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.646 2.231 . . . . 0.0 112.358 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.728 HD12 ' H ' ' A' ' 100' ' ' ILE . 4.8 mp -68.04 138.23 23.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.105 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.454 ' O ' ' N ' ' A' ' 103' ' ' LYS . 8.8 tp -118.69 110.69 17.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.541 HG13 ' O ' ' A' ' 102' ' ' VAL . 5.1 p -58.57 81.19 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.122 179.78 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' LYS . . . . . 0.454 ' N ' ' O ' ' A' ' 101' ' ' LEU . 19.4 tptp -136.97 145.66 44.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.529 ' OE2' HG23 ' A' ' 20' ' ' THR . 7.4 tt0 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.906 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.443 -0.263 . . . . 0.0 112.443 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.977 ' CG2' HG23 ' A' ' 34' ' ' ILE . 3.3 p -83.66 165.03 19.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.838 0.352 . . . . 0.0 111.112 -179.833 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 67.1 m -88.78 150.03 44.97 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.632 0.73 . . . . 0.0 110.887 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 166.2 28.4 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.719 2.279 . . . . 0.0 112.337 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 117.61 5.19 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.711 2.274 . . . . 0.0 112.309 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 47.0 p -100.02 -178.59 3.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.12 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 19.9 mt 54.76 46.54 24.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.925 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -82.44 114.58 20.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.95 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 6.6 t -144.61 156.91 44.36 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.108 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 8.7 t -85.61 102.4 11.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.105 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -54.33 -62.34 1.72 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.876 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.5 t -146.48 172.06 14.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.896 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.712 HG13 HG12 ' A' ' 24' ' ' VAL . 71.8 t -150.86 128.0 2.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.15 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.466 ' O ' ' N ' ' A' ' 22' ' ' THR . 7.5 m -124.79 133.63 53.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.129 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -39.85 -25.82 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.897 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.466 ' N ' ' O ' ' A' ' 20' ' ' THR . 16.6 p -87.36 -55.29 3.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.168 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 48.4 p -140.6 162.11 36.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.113 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.712 HG12 HG13 ' A' ' 19' ' ' VAL . 32.9 m -115.22 152.35 16.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.128 179.83 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 11.5 m -123.43 138.08 54.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.104 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.424 ' HG3' HG11 ' A' ' 80' ' ' VAL . 63.7 mmm -122.27 166.79 14.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.895 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 7.7 ptm180 -150.12 146.81 27.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.933 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 13.2 p90 -157.27 167.13 31.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.919 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 17.6 mtt180 -119.2 154.95 53.87 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.573 0.702 . . . . 0.0 110.867 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 166.05 28.93 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.649 2.232 . . . . 0.0 112.345 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.456 ' HG2' HD11 ' A' ' 34' ' ' ILE . 53.9 Cg_endo -69.71 145.35 57.13 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.734 2.29 . . . . 0.0 112.327 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.425 ' C ' ' O ' ' A' ' 31' ' ' PRO . 5.3 t0 -35.63 -48.15 0.51 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.831 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 13.3 t-80 -161.15 147.02 14.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.87 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.977 HG23 ' CG2' ' A' ' 8' ' ' THR . 4.1 mp . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.127 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 6.3 tp -115.26 138.94 50.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.828 0.347 . . . . 0.0 110.904 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.414 ' O ' ' C ' ' A' ' 41' ' ' GLY . 14.8 m-20 -119.63 99.74 6.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.855 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.414 ' C ' ' O ' ' A' ' 40' ' ' ASP . . . 36.59 -147.46 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.524 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -150.46 156.23 41.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.925 0.393 . . . . 0.0 110.904 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 95.0 t -110.32 127.24 67.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.135 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 5.0 tt -122.06 132.9 54.73 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.891 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 56.9 mt-10 -134.72 164.95 26.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.872 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 13.9 p90 -146.16 141.78 27.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.94 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.581 ' HB2' ' CE3' ' A' ' 54' ' ' TRP . 53.1 t -110.26 117.18 32.96 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.823 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -79.02 135.68 36.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.895 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -51.09 136.62 23.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.886 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 99.53 -46.82 1.38 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.496 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 61.4 p -82.09 120.79 25.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.759 0.314 . . . . 0.0 111.161 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -82.57 39.43 0.61 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -142.19 145.36 34.06 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.583 ' CH2' ' HG3' ' A' ' 81' ' ' ARG . 74.1 m95 -90.1 112.35 23.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.898 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 22.8 mt -78.82 151.32 5.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.138 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 90.1 t -91.99 124.28 44.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.145 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -81.09 -39.85 25.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.091 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.647 ' OD1' HD11 ' A' ' 62' ' ' ILE . 3.9 p-10 -143.19 129.55 19.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.861 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.72 -50.37 10.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.923 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 75.1 m-20 -68.76 176.84 2.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.87 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 4.3 mt -85.58 136.54 33.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.922 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.647 HD11 ' OD1' ' A' ' 58' ' ' ASN . 21.1 mt -86.82 107.44 16.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.141 179.851 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 -65.13 -60.73 2.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.841 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 70.9 mmtt -57.51 171.31 0.45 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.925 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 16.8 p -101.16 21.04 14.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.15 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 18.4 mtmm -142.34 154.9 45.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.931 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 58.9 t80 -145.75 149.91 35.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.926 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 89.7 m -134.99 98.51 4.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.144 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 54.8 mt -50.38 126.07 4.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.146 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 20.4 p -100.4 132.63 45.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.133 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 83.96 79.38 1.07 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.476 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 13.7 mt -135.84 133.01 19.68 Favored Pre-proline 0 C--N 1.327 -0.375 0 CA-C-O 121.573 0.701 . . . . 0.0 110.959 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.678 ' O ' HG11 ' A' ' 102' ' ' VAL . 53.8 Cg_endo -69.79 141.63 45.63 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.679 2.253 . . . . 0.0 112.335 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 42.9 m -68.01 142.3 55.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.155 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 60.87 47.97 7.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.631 ' O ' HD12 ' A' ' 101' ' ' LEU . . . -124.53 140.75 52.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.034 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 38.4 mttp -97.36 129.57 44.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.452 HD12 ' C ' ' A' ' 78' ' ' ILE . 2.7 pp -142.58 163.34 17.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.108 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.526 ' CE1' ' HB3' ' A' ' 99' ' ' PRO . 92.0 m-85 -113.44 149.78 33.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.943 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.452 HG23 HD13 ' A' ' 100' ' ' ILE . 71.4 t -123.49 128.44 74.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.119 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.601 ' NE ' ' CD2' ' A' ' 95' ' ' TYR . 40.6 mmt-85 -131.71 133.11 44.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.854 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 27.9 m -130.2 145.4 35.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.101 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 17.0 pttm -156.42 157.61 35.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.922 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -81.06 154.64 26.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.105 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 96.7 t -148.84 130.22 5.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.085 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -146.03 170.19 17.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.886 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -42.21 -48.15 4.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.097 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -55.49 -60.59 3.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.066 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -176.69 -151.1 8.68 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.499 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -125.64 163.29 23.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.807 0.337 . . . . 0.0 111.09 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.8 t -102.76 166.17 10.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.841 -179.736 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -54.13 142.23 48.02 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.6 0.714 . . . . 0.0 110.894 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 136.04 32.04 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.708 2.272 . . . . 0.0 112.317 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 20.4 tptp -87.12 123.33 32.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.9 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' TYR . . . . . 0.601 ' CD2' ' NE ' ' A' ' 81' ' ' ARG . 51.1 m-85 -106.81 112.34 25.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.904 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' TYR . . . . . 0.545 ' CD1' ' N ' ' A' ' 97' ' ' SER . 28.4 t80 -62.47 166.09 5.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.934 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' SER . . . . . 0.545 ' N ' ' CD1' ' A' ' 96' ' ' TYR . 41.0 m -70.8 -73.78 0.16 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.862 -179.838 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 15.0 pt20 -102.72 152.4 38.43 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.615 0.721 . . . . 0.0 110.886 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' PRO . . . . . 0.526 ' HB3' ' CE1' ' A' ' 79' ' ' PHE . 54.2 Cg_endo -69.71 138.32 37.69 Favored 'Trans proline' 0 C--O 1.232 0.219 0 C-N-CA 122.692 2.262 . . . . 0.0 112.356 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.704 HD12 ' H ' ' A' ' 100' ' ' ILE . 3.5 mp -80.21 130.99 35.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.122 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.631 HD12 ' O ' ' A' ' 76' ' ' ALA . 25.7 tp -113.82 104.67 12.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.919 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.678 HG11 ' O ' ' A' ' 73' ' ' PRO . 3.1 p -50.17 90.87 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.157 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 103' ' ' LYS . . . . . 0.424 ' N ' ' O ' ' A' ' 101' ' ' LEU . 0.4 OUTLIER -137.94 143.68 40.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 179.955 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 179.965 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.587 HG22 ' HA ' ' A' ' 34' ' ' ILE . 0.8 OUTLIER -83.96 167.35 17.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.78 0.324 . . . . 0.0 111.167 -179.879 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.6 t -85.92 149.66 51.11 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.681 0.753 . . . . 0.0 110.858 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 169.4 18.99 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.662 2.241 . . . . 0.0 112.372 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 130.27 19.02 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.654 2.236 . . . . 0.0 112.376 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 71.1 p -118.24 176.93 5.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.107 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.418 ' HA ' HD23 ' A' ' 13' ' ' LEU . 11.7 mt 59.02 46.52 13.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.923 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -81.86 125.16 30.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.942 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.3 t -154.92 153.64 31.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.156 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 10.2 t -76.69 120.19 26.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.118 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -77.37 -65.27 0.98 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.6 m -136.52 152.45 50.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 42.0 t -140.83 126.67 19.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.129 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.7 m -133.91 141.29 47.29 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.141 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -45.45 -22.88 0.17 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.879 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 74.2 p -86.06 -56.66 3.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.147 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.8 p -143.89 169.89 16.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.163 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 27.2 m -124.38 160.31 29.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.128 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 76.9 m -136.13 132.44 36.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.142 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.721 ' HG3' HG11 ' A' ' 80' ' ' VAL . 87.3 mmm -119.26 150.23 40.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.915 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 15.5 ptt180 -127.8 158.8 36.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.88 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 14.4 p90 -162.08 169.92 20.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.919 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -121.69 150.86 56.25 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.576 0.703 . . . . 0.0 110.882 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 169.55 18.74 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.686 2.257 . . . . 0.0 112.296 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.66 147.17 62.91 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.682 2.255 . . . . 0.0 112.334 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -62.4 -50.64 70.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 1.9 t-160 -114.15 137.71 51.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.587 ' HA ' HG22 ' A' ' 8' ' ' THR . 1.8 mt . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.171 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.608 HD21 ' OH ' ' A' ' 42' ' ' TYR . 21.4 tp -128.52 136.83 51.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.824 0.345 . . . . 0.0 110.925 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.424 ' O ' ' C ' ' A' ' 41' ' ' GLY . 65.8 m-20 -121.7 95.34 4.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.901 179.831 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.477 ' C ' ' CD1' ' A' ' 42' ' ' TYR . . . 36.26 -149.31 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.433 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.608 ' OH ' HD21 ' A' ' 39' ' ' LEU . 2.5 m-85 -153.37 171.1 19.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.972 0.415 . . . . 0.0 110.903 -179.802 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 85.4 t -127.26 132.71 69.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.106 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.561 HD13 ' HB3' ' A' ' 67' ' ' PHE . 10.2 tt -128.61 139.05 52.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 64.3 mt-10 -147.54 147.77 30.47 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.447 ' HB2' HD12 ' A' ' 78' ' ' ILE . 30.1 p90 -128.27 132.08 48.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.902 -179.855 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 15.2 t -99.29 122.74 42.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.897 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -72.39 166.48 22.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.916 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -76.46 128.18 34.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.856 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 83.17 15.93 70.77 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.518 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 71.3 p -123.48 127.43 48.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.721 0.295 . . . . 0.0 111.15 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -96.01 25.35 4.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.916 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -135.31 119.79 18.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.849 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.475 ' CZ3' ' HG2' ' A' ' 81' ' ' ARG . 83.9 m95 -70.67 131.61 44.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.884 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 89.2 mt -91.73 130.21 41.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.107 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 98.5 t -78.9 118.96 27.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.117 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.47 ' HB1' ' CE1' ' A' ' 67' ' ' PHE . . . -85.38 -47.58 9.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.086 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 25.4 p-10 -90.34 133.37 35.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 2.4 tppp? -60.0 -64.58 0.9 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.915 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -110.78 -74.43 0.65 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.823 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 28.9 mt -141.85 158.25 44.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.421 HG22 ' H ' ' A' ' 64' ' ' LYS . 41.9 mt -102.74 118.36 49.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.105 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -97.07 43.81 1.06 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.829 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.421 ' H ' HG22 ' A' ' 62' ' ' ILE . 28.1 mtpt -157.1 159.39 37.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.902 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 5.2 p -87.81 8.51 25.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.162 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 14.3 mtmt -143.88 154.06 42.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.928 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.561 ' HB3' HD13 ' A' ' 44' ' ' LEU . 21.0 t80 -147.42 144.66 28.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.854 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 17.7 m -124.31 119.21 28.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.117 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 28.6 mt -79.05 103.21 5.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.156 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 65.2 p -82.35 135.95 35.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.155 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 90.03 61.26 1.35 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.501 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 13.6 mt -129.96 131.56 23.56 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.596 0.712 . . . . 0.0 110.966 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 164.33 34.95 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.701 2.268 . . . . 0.0 112.344 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.603 HG22 ' N ' ' A' ' 75' ' ' ASP . 83.8 m -84.71 163.84 18.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.127 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.603 ' N ' HG22 ' A' ' 74' ' ' THR . 0.3 OUTLIER 47.17 28.58 0.99 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.886 179.919 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.463 ' O ' HG12 ' A' ' 102' ' ' VAL . . . -101.01 145.75 28.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.114 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 12.3 mmtp -111.75 121.09 44.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.447 HD12 ' HB2' ' A' ' 46' ' ' TYR . 9.2 pt -133.97 160.87 41.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.117 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 93.8 m-85 -109.8 133.54 53.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.848 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.721 HG11 ' HG3' ' A' ' 26' ' ' MET . 96.3 t -108.42 137.64 39.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.114 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.475 ' HG2' ' CZ3' ' A' ' 54' ' ' TRP . 13.7 ptt180 -148.55 135.9 20.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.847 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 29.9 m -129.75 160.27 40.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.149 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 23.3 pttm -154.65 173.81 15.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.854 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -107.39 116.37 31.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.064 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 95.6 t -111.12 130.18 65.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.137 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -139.43 173.62 11.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.879 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -51.55 -43.3 62.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.09 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -55.75 -61.22 2.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.073 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -170.93 -141.01 3.18 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.474 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -130.66 155.57 46.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.774 0.321 . . . . 0.0 111.124 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.8 m -102.22 168.96 9.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.859 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -65.41 144.73 99.04 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.642 0.734 . . . . 0.0 110.875 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 147.15 62.22 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.706 2.27 . . . . 0.0 112.311 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 25.5 tptt -122.93 112.44 17.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.933 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -101.51 139.6 36.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.927 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -65.66 167.37 9.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.916 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.2 t -68.75 -64.62 0.83 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.908 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -103.41 155.91 36.16 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.537 0.684 . . . . 0.0 110.914 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 146.29 59.61 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.68 2.254 . . . . 0.0 112.334 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.67 HD13 HG23 ' A' ' 80' ' ' VAL . 5.2 mp -88.85 110.83 21.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.125 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.431 HD21 ' HZ1' ' A' ' 103' ' ' LYS . 16.1 tp -87.48 103.23 15.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.717 HG22 ' O ' ' A' ' 102' ' ' VAL . 0.7 OUTLIER -62.16 84.95 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.126 179.823 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 103' ' ' LYS . . . . . 0.498 ' HZ3' ' HB2' ' A' ' 103' ' ' LYS . 0.0 OUTLIER -136.43 149.56 48.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.853 179.927 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.426 ' N ' ' HG3' ' A' ' 103' ' ' LYS . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 N-CA-C 112.521 -0.232 . . . . 0.0 112.521 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -128.08 170.67 12.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.794 0.33 . . . . 0.0 111.123 -179.855 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 18.8 m -94.36 147.33 33.13 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.643 0.735 . . . . 0.0 110.867 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 169.59 18.51 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.717 2.278 . . . . 0.0 112.351 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.624 ' HG2' HG23 ' A' ' 82' ' ' VAL . 54.0 Cg_endo -69.69 129.83 18.36 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.726 2.284 . . . . 0.0 112.376 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 43.1 p -120.32 179.54 4.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.132 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 16.7 mt 53.29 46.0 27.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.451 HD13 ' C ' ' A' ' 14' ' ' LEU . 3.0 tm? -86.16 112.56 21.43 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.916 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 51.1 p -137.01 157.97 45.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.178 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.483 ' CG1' HG23 ' A' ' 19' ' ' VAL . 6.7 t -85.13 99.29 7.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.126 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -56.65 -60.95 2.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.861 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 15.8 p -146.18 154.91 42.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.819 -179.755 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.483 HG23 ' CG1' ' A' ' 16' ' ' VAL . 25.4 t -142.87 128.58 16.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.126 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -120.11 151.42 39.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.163 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -53.94 -17.17 2.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.865 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 3.0 p -98.12 -61.62 1.36 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.129 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 23.1 p -125.91 168.64 13.61 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.16 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.924 ' O ' HG23 ' A' ' 68' ' ' THR . 16.5 m -121.71 155.52 26.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.13 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 19.0 m -126.28 136.09 52.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.116 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 93.2 mmm -124.97 157.14 36.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.866 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 11.1 ptm180 -140.39 140.3 35.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.924 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 11.3 p90 -149.05 165.63 31.13 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.951 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 25.1 mtt180 -119.52 157.01 52.83 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.609 0.719 . . . . 0.0 110.812 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 169.14 19.69 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.632 2.222 . . . . 0.0 112.34 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.458 ' HG2' ' CD1' ' A' ' 34' ' ' ILE . 53.8 Cg_endo -69.78 144.82 55.12 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.656 2.237 . . . . 0.0 112.335 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.447 ' C ' ' O ' ' A' ' 31' ' ' PRO . 25.5 t0 -34.71 -39.41 0.09 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 24.8 t-80 -160.3 170.91 20.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.458 ' CD1' ' HG2' ' A' ' 31' ' ' PRO . 43.0 mm . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.114 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.5 tp -133.78 134.4 42.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.792 0.33 . . . . 0.0 110.909 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -124.16 98.05 5.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.836 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.432 ' C ' ' CG ' ' A' ' 42' ' ' TYR . . . 41.76 -147.19 0.5 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.484 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.432 ' CG ' ' C ' ' A' ' 41' ' ' GLY . 2.2 m-85 -156.93 175.67 13.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.9 0.381 . . . . 0.0 110.935 -179.804 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 69.5 t -125.8 133.31 69.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.128 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.457 HD13 ' HB3' ' A' ' 67' ' ' PHE . 9.6 tt -136.31 131.46 34.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.924 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -144.59 170.81 15.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 6.0 p90 -139.48 140.52 37.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.875 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 4.7 t -110.39 91.16 3.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.9 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -49.67 157.71 0.53 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.825 -179.809 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -77.92 135.68 37.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.872 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 97.72 -44.3 1.85 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.473 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 19.3 p -68.89 -41.23 78.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.754 0.312 . . . . 0.0 111.153 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 67.82 26.43 7.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.879 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -133.0 142.2 48.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.88 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.548 ' CZ3' ' HG2' ' A' ' 81' ' ' ARG . 88.7 m95 -87.75 110.59 20.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 17.4 mt -83.91 138.98 18.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.121 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 70.5 t -71.67 112.88 7.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.11 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.466 ' HB1' ' CE1' ' A' ' 67' ' ' PHE . . . -80.05 -64.15 1.25 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.083 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.496 ' HB3' ' CE2' ' A' ' 67' ' ' PHE . 7.5 p-10 -84.31 98.11 9.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.918 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 34.0 ttmt -44.66 -34.53 2.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.427 ' O ' ' C ' ' A' ' 61' ' ' LEU . 10.7 m-20 -128.49 147.17 50.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.866 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.427 ' C ' ' O ' ' A' ' 60' ' ' ASP . 35.1 mt -34.74 142.65 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 10.2 mt -90.68 139.81 17.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.159 179.802 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -103.98 -49.24 3.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.829 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 26.8 mmtt -69.28 166.56 18.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.921 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 44.4 p -94.84 35.62 1.24 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.164 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 18.1 ttmt -160.38 143.42 13.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.496 ' CE2' ' HB3' ' A' ' 58' ' ' ASN . 51.8 t80 -142.94 156.71 44.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.889 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.924 HG23 ' O ' ' A' ' 24' ' ' VAL . 93.6 m -139.46 130.42 26.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.154 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 20.9 mt -86.45 120.44 36.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.103 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 40.9 p -97.92 128.99 44.86 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.151 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 95.01 72.78 1.17 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.49 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 51.1 mt -137.96 135.32 18.61 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.684 0.754 . . . . 0.0 110.871 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.718 ' O ' HG11 ' A' ' 102' ' ' VAL . 53.5 Cg_endo -69.75 153.51 68.89 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.644 2.23 . . . . 0.0 112.34 179.849 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 43.2 m -79.56 144.39 33.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.154 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 39.0 t70 66.87 37.55 4.0 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.81 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.418 ' O ' HG12 ' A' ' 102' ' ' VAL . . . -119.33 149.81 41.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.128 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 2.8 mtmp? -111.88 125.23 53.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.403 ' C ' HD12 ' A' ' 78' ' ' ILE . 2.8 pp -129.52 153.89 39.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.097 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 89.3 m-85 -101.47 136.41 41.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.907 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 71.8 t -117.08 131.98 68.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.119 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.548 ' HG2' ' CZ3' ' A' ' 54' ' ' TRP . 0.2 OUTLIER -146.42 124.96 12.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.624 HG23 ' HG2' ' A' ' 11' ' ' PRO . 10.2 m -105.88 161.01 5.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.153 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 19.8 ttpt -154.88 148.77 25.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -101.65 142.11 33.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.119 179.792 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 2.8 t -132.37 132.64 60.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.139 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 -146.52 -178.52 6.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.866 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -47.13 -50.51 20.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.094 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -53.62 -25.82 19.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.117 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 140.11 -116.98 1.24 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.527 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -144.42 155.77 43.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.817 0.341 . . . . 0.0 111.089 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 92.6 p -101.15 169.59 8.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.859 -179.803 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -65.72 141.8 97.92 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.668 0.747 . . . . 0.0 110.871 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 145.76 57.98 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.692 2.262 . . . . 0.0 112.353 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 38.9 tptt -103.27 99.35 9.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.886 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -81.83 133.7 35.35 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.933 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' TYR . . . . . 0.502 ' CD1' ' O ' ' A' ' 98' ' ' GLN . 1.9 t80 -77.1 129.68 36.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 30.7 t -42.0 -72.37 0.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.825 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' GLN . . . . . 0.502 ' O ' ' CD1' ' A' ' 96' ' ' TYR . 3.6 pt20 -103.83 148.77 36.34 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.549 0.69 . . . . 0.0 110.919 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 158.51 56.72 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.7 2.267 . . . . 0.0 112.327 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 11.3 mt -100.04 139.35 21.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.109 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.497 ' O ' ' N ' ' A' ' 103' ' ' LYS . 9.8 tp -107.07 99.12 8.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.718 HG11 ' O ' ' A' ' 73' ' ' PRO . 7.3 p -50.72 86.55 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.125 179.83 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 103' ' ' LYS . . . . . 0.497 ' N ' ' O ' ' A' ' 101' ' ' LEU . 35.8 tptt -140.94 155.37 46.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.867 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.887 179.972 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.268 0 N-CA-C 112.459 -0.257 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.6 p -140.58 145.88 37.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.804 0.335 . . . . 0.0 111.154 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.5 m -80.13 149.64 70.04 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.647 0.737 . . . . 0.0 110.865 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 160.15 50.78 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.67 2.247 . . . . 0.0 112.336 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.517 ' HD3' ' HB2' ' A' ' 84' ' ' ALA . 53.8 Cg_endo -69.8 131.66 21.64 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.672 2.248 . . . . 0.0 112.316 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 69.8 p -114.87 -178.81 3.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.122 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 19.4 mt 57.01 37.05 28.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.949 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.467 HD13 ' O ' ' A' ' 14' ' ' LEU . 2.4 tm? -83.39 108.98 16.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.947 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.418 HG22 ' N ' ' A' ' 16' ' ' VAL . 35.5 m -143.61 154.5 43.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.138 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.539 HG22 ' SD ' ' A' ' 26' ' ' MET . 11.1 t -76.34 104.31 4.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.147 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -53.2 -61.07 2.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.897 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.2 m -155.96 150.05 25.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.859 -179.77 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.52 HG13 HG12 ' A' ' 24' ' ' VAL . 54.8 t -129.27 148.06 33.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.13 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.412 ' C ' ' N ' ' A' ' 22' ' ' THR . 19.6 m -147.24 148.16 31.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.132 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 85.2 m-20 -44.0 -22.66 0.06 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.855 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.412 ' N ' ' C ' ' A' ' 20' ' ' THR . 23.8 p -81.4 -69.64 0.59 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.145 -179.876 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.576 HG21 ' HA ' ' A' ' 70' ' ' THR . 71.4 p -141.27 168.93 18.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.131 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.52 HG12 HG13 ' A' ' 19' ' ' VAL . 35.2 m -105.83 153.73 7.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.136 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 29.1 m -129.09 126.54 39.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.149 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.539 ' SD ' HG22 ' A' ' 16' ' ' VAL . 28.5 mmm -118.19 163.3 16.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.89 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 10.4 ptm180 -146.56 151.45 37.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.893 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 27.2 p90 -160.52 176.73 11.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.927 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 19.2 mtt180 -131.57 158.05 76.43 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.639 0.733 . . . . 0.0 110.876 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 169.74 18.17 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.715 2.277 . . . . 0.0 112.334 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.429 ' O ' ' C ' ' A' ' 32' ' ' ASP . 53.7 Cg_endo -69.74 141.44 45.3 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.712 2.275 . . . . 0.0 112.354 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.429 ' C ' ' O ' ' A' ' 31' ' ' PRO . 10.8 m-20 -35.36 -51.84 0.61 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.864 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 50.2 m80 -131.53 159.45 38.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.832 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 2.6 mm . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.136 179.976 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -76.3 140.06 41.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.847 0.356 . . . . 0.0 110.888 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -118.98 94.09 4.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.806 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 46.93 -156.48 0.64 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.511 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.483 ' N ' ' CD1' ' A' ' 42' ' ' TYR . 0.1 OUTLIER -146.38 177.35 9.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.955 0.407 . . . . 0.0 110.921 -179.826 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 19.9 t -133.86 131.82 56.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.144 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.401 HD23 ' N ' ' A' ' 45' ' ' GLU . 7.3 tt -119.6 137.96 53.52 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.918 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.401 ' N ' HD23 ' A' ' 44' ' ' LEU . 21.4 mt-10 -141.82 147.13 36.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.881 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 13.7 p90 -129.12 138.71 51.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.89 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.552 ' HB2' ' CE3' ' A' ' 54' ' ' TRP . 12.0 t -109.53 116.64 32.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.941 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -67.2 163.27 20.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.927 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -66.61 -43.55 84.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.897 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -92.57 57.82 2.64 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.518 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 2.9 p -152.04 166.38 31.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.757 0.313 . . . . 0.0 111.147 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -124.02 4.22 8.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.907 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -143.95 144.99 31.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.839 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.552 ' CE3' ' HB2' ' A' ' 47' ' ' CYS . 96.5 m95 -66.17 157.96 29.96 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.957 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 12.2 mt -119.59 145.0 26.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.141 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.459 HG12 ' O ' ' A' ' 58' ' ' ASN . 73.6 t -94.35 126.44 46.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.11 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -91.95 -43.37 9.49 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.11 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.459 ' O ' HG12 ' A' ' 56' ' ' VAL . 8.2 p-10 -82.13 158.85 23.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.847 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 10.0 tppt? -84.45 -51.77 6.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.917 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -125.57 -65.7 0.99 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.864 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 23.6 mt -144.96 171.74 14.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.919 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.589 HG22 ' O ' ' A' ' 64' ' ' LYS . 52.6 mt -116.75 102.31 13.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.107 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -64.58 -61.41 2.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.589 ' O ' HG22 ' A' ' 62' ' ' ILE . 6.2 mtpm? -65.78 154.49 38.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 81.5 p -87.94 40.79 0.96 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.165 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 14.5 ttmt -160.13 140.93 12.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.862 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.508 ' CD1' ' N ' ' A' ' 68' ' ' THR . 10.2 t80 -137.67 156.1 48.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.893 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.508 ' N ' ' CD1' ' A' ' 67' ' ' PHE . 40.0 m -140.21 111.19 6.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.121 -179.887 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 46.6 mt -67.13 105.17 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.162 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.576 ' HA ' HG21 ' A' ' 23' ' ' THR . 35.9 p -82.73 131.58 35.2 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.12 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 91.21 71.84 1.22 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.483 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 10.9 mt -131.23 125.66 21.05 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.63 0.728 . . . . 0.0 110.918 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 128.54 16.21 Favored 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 122.714 2.276 . . . . 0.0 112.356 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.524 HG22 ' N ' ' A' ' 75' ' ' ASP . 89.7 m -50.57 159.29 0.53 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.112 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.524 ' N ' HG22 ' A' ' 74' ' ' THR . 1.2 p30 46.33 47.44 13.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.886 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.598 ' O ' HG12 ' A' ' 102' ' ' VAL . . . -126.93 142.4 51.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.086 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 64.2 mttt -102.64 141.18 35.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.401 HD12 ' C ' ' A' ' 78' ' ' ILE . 2.8 pp -148.14 -179.58 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.091 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 69.1 m-85 -127.97 149.57 50.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.857 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.698 HG23 HD13 ' A' ' 100' ' ' ILE . 96.7 t -128.4 120.99 54.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.118 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.603 ' NE ' ' CD1' ' A' ' 95' ' ' TYR . 34.2 mmt-85 -130.03 132.22 46.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.856 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 22.5 m -126.34 137.73 56.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.157 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 28.6 pttt -139.15 136.07 34.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.934 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.517 ' HB2' ' HD3' ' A' ' 11' ' ' PRO . . . -66.96 125.46 26.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.1 179.839 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 97.8 t -111.38 116.31 52.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.134 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ASN . . . . . 0.476 ' N ' ' ND2' ' A' ' 86' ' ' ASN . 0.1 OUTLIER -123.12 174.2 7.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.874 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.21 -39.24 93.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.052 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -69.15 -52.1 31.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.052 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -179.17 177.24 48.33 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.504 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -102.11 159.28 15.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.785 0.326 . . . . 0.0 111.131 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.3 t -102.72 161.84 13.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.85 -179.784 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 19.4 pt-20 -47.52 143.3 5.66 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.703 0.764 . . . . 0.0 110.863 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 138.3 37.6 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.741 2.294 . . . . 0.0 112.316 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 12.8 tptp -86.54 111.4 20.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.91 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' TYR . . . . . 0.603 ' CD1' ' NE ' ' A' ' 81' ' ' ARG . 31.1 m-85 -93.59 108.09 19.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.956 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' TYR . . . . . 0.409 ' CD1' ' N ' ' A' ' 97' ' ' SER . 2.5 t80 -62.07 137.22 58.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.924 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' SER . . . . . 0.409 ' N ' ' CD1' ' A' ' 96' ' ' TYR . 30.5 t -40.99 -74.88 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.836 -179.847 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 -106.54 154.63 39.83 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.603 0.716 . . . . 0.0 110.877 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 154.64 67.6 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.68 2.253 . . . . 0.0 112.338 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.698 HD13 HG23 ' A' ' 80' ' ' VAL . 2.6 mp -92.53 127.37 44.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.118 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 16.7 tp -103.01 115.95 31.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.903 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.613 HG13 ' O ' ' A' ' 102' ' ' VAL . 7.2 p -65.97 76.45 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.13 179.797 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 20.3 tptp -139.15 142.21 38.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.89 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.865 179.967 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.583 HG22 ' H ' ' A' ' 9' ' ' SER . 0.6 OUTLIER -102.42 173.09 6.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.796 0.331 . . . . 0.0 111.146 -179.89 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.583 ' H ' HG22 ' A' ' 8' ' ' THR . 9.2 t -90.62 142.22 27.75 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.657 0.742 . . . . 0.0 110.92 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 169.72 18.18 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.699 2.266 . . . . 0.0 112.352 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 129.52 17.71 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.666 2.244 . . . . 0.0 112.333 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 57.1 p -110.44 -178.33 3.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.125 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.537 HD12 HH11 ' A' ' 29' ' ' ARG . 29.8 mt 50.31 48.82 21.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.87 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.437 HD13 ' C ' ' A' ' 14' ' ' LEU . 3.2 tm? -83.61 111.53 19.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.461 ' CG2' ' N ' ' A' ' 16' ' ' VAL . 4.7 m -151.87 155.89 39.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.127 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.595 HG21 HG12 ' A' ' 100' ' ' ILE . 21.8 t -71.61 141.41 16.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.126 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -100.64 -45.09 5.62 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.851 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.7 t -153.91 159.1 41.61 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.831 -179.726 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.504 HG13 HG12 ' A' ' 24' ' ' VAL . 90.5 t -147.99 130.58 7.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.139 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.654 HG22 ' H ' ' A' ' 21' ' ' ASP . 0.6 OUTLIER -125.86 176.32 7.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.101 -179.936 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.654 ' H ' HG22 ' A' ' 20' ' ' THR . 35.8 p-10 -82.99 4.78 24.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.873 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.2 p -121.37 -47.56 2.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.136 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.451 HG22 ' HA ' ' A' ' 70' ' ' THR . 44.8 p -145.95 160.63 41.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.127 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.518 ' CG2' HD12 ' A' ' 69' ' ' ILE . 13.3 m -117.53 147.1 21.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.102 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 5.2 m -113.51 147.26 38.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.179 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.414 ' SD ' HG22 ' A' ' 16' ' ' VAL . 91.0 mmm -130.94 159.96 35.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.913 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 8.0 ptm180 -148.75 154.78 40.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.866 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 27.0 p90 -160.38 177.9 10.12 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.943 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.537 HH11 HD12 ' A' ' 13' ' ' LEU . 0.1 OUTLIER -123.33 143.21 40.61 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.642 0.734 . . . . 0.0 110.861 -179.949 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.472 ' N ' ' HG3' ' A' ' 29' ' ' ARG . 53.5 Cg_endo -69.77 165.62 30.36 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.698 2.265 . . . . 0.0 112.315 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 139.03 39.19 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.68 2.253 . . . . 0.0 112.329 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -55.43 -41.92 73.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.858 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 15.2 t60 -113.01 163.97 14.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 16.8 mm . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.12 179.975 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.491 -0.243 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.585 HD12 ' OD1' ' A' ' 86' ' ' ASN . 9.5 tp -115.1 137.37 52.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.804 0.335 . . . . 0.0 110.924 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -122.99 95.72 4.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.866 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.415 ' C ' ' CG ' ' A' ' 42' ' ' TYR . . . 38.88 -147.42 0.13 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.492 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.415 ' CG ' ' C ' ' A' ' 41' ' ' GLY . 1.1 m-85 -154.62 170.49 21.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.945 0.402 . . . . 0.0 110.895 -179.787 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.411 HG21 HG21 ' A' ' 85' ' ' VAL . 59.7 t -124.62 128.34 73.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.166 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.734 HD23 ' N ' ' A' ' 45' ' ' GLU . 9.5 tt -120.07 158.39 26.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.734 ' N ' HD23 ' A' ' 44' ' ' LEU . 28.4 mt-10 -161.1 173.49 15.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.921 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 21.8 p90 -149.83 137.02 19.7 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.906 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.585 ' HB2' ' CE3' ' A' ' 54' ' ' TRP . 19.2 t -107.65 104.1 13.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.881 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -61.8 141.36 57.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.92 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -51.57 140.26 18.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.899 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 90.35 -49.98 3.26 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.509 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 64.7 p -79.17 120.08 23.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.725 0.298 . . . . 0.0 111.168 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 22.2 tp10 -87.14 26.75 1.13 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.916 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -124.92 119.87 30.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.888 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.585 ' CE3' ' HB2' ' A' ' 47' ' ' CYS . 96.6 m95 -64.26 128.48 35.97 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.893 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 5.2 mp -96.26 123.55 48.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.109 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 92.7 t -67.84 122.47 19.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.121 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -89.17 -51.22 5.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.078 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.484 ' HB3' ' CE1' ' A' ' 67' ' ' PHE . 11.9 p-10 -108.75 125.55 52.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.864 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 11.3 ttpp -73.43 -45.25 55.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.845 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -102.07 156.68 17.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.876 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 13.9 mt -46.49 156.08 0.2 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.948 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.582 HG22 ' H ' ' A' ' 64' ' ' LYS . 52.0 mt -104.78 112.34 38.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.117 179.859 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -91.31 33.79 0.97 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.85 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.582 ' H ' HG22 ' A' ' 62' ' ' ILE . 7.7 mmtp -142.36 150.57 40.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.881 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 2.0 p -81.53 9.57 7.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.122 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 5.2 mtmp? -140.5 167.21 22.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.854 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.484 ' CE1' ' HB3' ' A' ' 58' ' ' ASN . 55.4 t80 -161.75 143.78 11.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.857 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 79.8 m -127.28 123.42 36.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.127 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.518 HD12 ' CG2' ' A' ' 24' ' ' VAL . 17.1 mt -79.89 129.67 37.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.153 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.451 ' HA ' HG22 ' A' ' 23' ' ' THR . 82.6 p -107.07 134.64 49.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.155 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 91.14 62.53 1.22 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.482 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.411 HD23 ' HA ' ' A' ' 72' ' ' LEU . 26.0 mt -127.7 131.52 23.86 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.575 0.703 . . . . 0.0 110.918 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.73 ' O ' HG11 ' A' ' 102' ' ' VAL . 54.1 Cg_endo -69.7 156.23 64.05 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.701 2.268 . . . . 0.0 112.366 179.828 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 71.2 m -79.44 140.97 37.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.202 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 8.8 t70 65.33 48.48 2.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.899 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.555 ' O ' HG12 ' A' ' 102' ' ' VAL . . . -132.51 144.23 50.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.115 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 21.4 mtpt -102.16 135.7 43.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.567 HD12 ' C ' ' A' ' 78' ' ' ILE . 2.5 pp -140.65 154.11 21.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.149 179.871 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.401 ' HB3' ' NH1' ' A' ' 81' ' ' ARG . 64.2 m-85 -98.61 161.54 13.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.876 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.494 ' O ' ' NE ' ' A' ' 81' ' ' ARG . 65.9 t -140.93 116.43 6.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.149 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.516 ' CG ' ' CH2' ' A' ' 54' ' ' TRP . 16.1 mmp_? -121.83 125.55 46.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.847 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 34.1 m -119.0 129.73 74.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.113 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 20.4 pttt -134.09 165.04 25.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.878 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -101.98 124.14 47.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.105 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.411 HG21 HG21 ' A' ' 43' ' ' VAL . 59.4 t -117.33 121.85 68.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.135 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ASN . . . . . 0.585 ' OD1' HD12 ' A' ' 39' ' ' LEU . 0.3 OUTLIER -147.15 179.87 7.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 -179.946 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -42.63 -57.35 2.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.102 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -43.48 -51.12 6.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.115 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 162.84 -125.5 1.41 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.493 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -141.7 151.14 42.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.778 0.323 . . . . 0.0 111.155 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 21.6 m -101.12 154.9 18.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.863 -179.77 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -51.69 148.41 9.92 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.611 0.72 . . . . 0.0 110.919 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 134.11 27.04 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.685 2.257 . . . . 0.0 112.295 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 9.1 tmtt? -90.52 108.87 20.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.922 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' TYR . . . . . 0.48 ' HA ' ' NE ' ' A' ' 81' ' ' ARG . 74.7 m-85 -82.16 105.96 13.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.915 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' TYR . . . . . 0.596 ' CD2' ' O ' ' A' ' 98' ' ' GLN . 9.7 t80 -51.7 152.12 3.0 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.951 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 12.5 m -52.84 -69.9 0.1 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.844 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' GLN . . . . . 0.596 ' O ' ' CD2' ' A' ' 96' ' ' TYR . 10.2 mm100 -117.56 151.43 48.29 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.574 0.702 . . . . 0.0 110.931 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 162.11 43.31 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.708 2.272 . . . . 0.0 112.342 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.595 HG12 HG21 ' A' ' 16' ' ' VAL . 12.1 mt -101.56 147.79 8.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.111 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.485 ' O ' ' N ' ' A' ' 103' ' ' LYS . 25.8 tp -121.8 99.69 6.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.73 HG11 ' O ' ' A' ' 73' ' ' PRO . 7.3 p -49.18 87.77 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.11 179.841 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 103' ' ' LYS . . . . . 0.485 ' N ' ' O ' ' A' ' 101' ' ' LEU . 20.6 tptm -144.32 147.68 33.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.911 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.864 179.974 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.572 HG23 ' HA ' ' A' ' 34' ' ' ILE . 5.8 m -87.73 161.2 17.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.759 0.314 . . . . 0.0 111.179 -179.886 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.437 ' N ' HG22 ' A' ' 8' ' ' THR . 2.2 m -88.32 149.88 45.72 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.627 0.727 . . . . 0.0 110.898 -179.845 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.75 168.49 21.4 Favored 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.704 2.269 . . . . 0.0 112.358 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 133.36 25.33 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.696 2.264 . . . . 0.0 112.33 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 66.4 p -122.14 174.38 6.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.106 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 12.8 mt 54.38 49.81 17.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.95 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.589 HD12 ' HD1' ' A' ' 96' ' ' TYR . 3.1 tm? -82.22 126.29 31.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.933 179.836 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.474 ' CG2' ' N ' ' A' ' 16' ' ' VAL . 4.5 m -149.92 156.93 42.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.155 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.793 HG22 ' SD ' ' A' ' 26' ' ' MET . 10.5 t -81.28 108.78 14.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.165 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -57.57 -48.46 79.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.905 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.5 t -157.34 174.65 15.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.519 HG12 ' O ' ' A' ' 103' ' ' LYS . 76.0 t -150.74 132.28 5.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.119 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.48 ' O ' ' N ' ' A' ' 22' ' ' THR . 2.9 m -140.28 132.15 27.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.147 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 16.5 p30 -39.55 -25.79 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.885 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.48 ' N ' ' O ' ' A' ' 20' ' ' THR . 72.8 p -83.0 -49.71 9.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.179 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 39.1 p -151.95 169.48 22.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.14 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.548 ' O ' HG23 ' A' ' 68' ' ' THR . 33.8 m -119.75 151.45 22.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.146 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.9 m -118.99 124.88 48.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.166 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.793 ' SD ' HG22 ' A' ' 16' ' ' VAL . 95.8 mmm -123.45 134.72 53.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.907 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.492 ' O ' HD22 ' A' ' 14' ' ' LEU . 25.1 ptt180 -126.38 161.06 28.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.867 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.525 ' CD2' ' O ' ' A' ' 65' ' ' THR . 40.1 p90 -145.36 177.25 8.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.931 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 8.2 mmm180 -117.77 151.25 48.36 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.616 0.722 . . . . 0.0 110.851 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 153.13 69.15 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.697 2.265 . . . . 0.0 112.301 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 138.46 37.77 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.679 2.253 . . . . 0.0 112.356 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 15.5 t0 -53.02 -41.62 64.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.853 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.403 ' ND1' ' N ' ' A' ' 34' ' ' ILE . 63.9 t-80 -111.89 157.55 20.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.849 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.572 ' HA ' HG23 ' A' ' 8' ' ' THR . 25.6 mm . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.15 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.446 HD21 ' CZ ' ' A' ' 42' ' ' TYR . 5.1 tp -76.6 124.46 27.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.863 0.363 . . . . 0.0 110.915 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.428 ' N ' ' OD1' ' A' ' 40' ' ' ASP . 0.2 OUTLIER -111.76 95.28 5.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 179.841 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.658 ' HA3' HD13 ' A' ' 61' ' ' LEU . . . 58.83 -145.27 43.48 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.481 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.633 ' CD1' ' C ' ' A' ' 41' ' ' GLY . 3.9 m-85 -156.63 -175.09 5.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.92 0.39 . . . . 0.0 110.93 -179.794 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 94.7 t -140.69 135.65 34.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.13 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.547 HD12 ' CG1' ' A' ' 82' ' ' VAL . 5.6 tp -110.09 153.99 23.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.935 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -157.17 142.47 17.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.915 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 8.6 p90 -142.0 136.02 29.87 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.969 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.545 ' HB2' ' CD2' ' A' ' 54' ' ' TRP . 1.5 t -108.96 115.42 30.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.895 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -62.8 164.36 8.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.892 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -72.64 -51.71 18.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.893 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.426 ' O ' ' CG2' ' A' ' 51' ' ' THR . . . -79.03 46.04 2.88 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.481 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.426 ' CG2' ' O ' ' A' ' 50' ' ' GLY . 72.3 p -158.43 164.99 35.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.81 0.338 . . . . 0.0 111.12 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -122.77 15.13 10.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.937 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 41.1 m-20 -125.65 155.26 41.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.854 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.545 ' CD2' ' HB2' ' A' ' 47' ' ' CYS . 75.6 m95 -100.65 110.66 22.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.945 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 12.0 mt -76.48 137.37 22.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.129 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.58 HG12 ' O ' ' A' ' 58' ' ' ASN . 92.8 t -89.27 119.9 37.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.134 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.504 ' CB ' HD23 ' A' ' 44' ' ' LEU . . . -74.42 -57.98 3.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.057 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.58 ' O ' HG12 ' A' ' 56' ' ' VAL . 17.9 t-20 -74.22 171.19 14.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 -179.868 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 24.1 tptt -113.96 -67.72 0.98 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -102.13 -73.03 0.67 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.813 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.658 HD13 ' HA3' ' A' ' 41' ' ' GLY . 0.7 OUTLIER -152.81 135.68 15.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.92 -179.943 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.438 HD11 ' HB2' ' A' ' 58' ' ' ASN . 8.7 mt -87.34 107.15 16.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.125 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -53.91 -41.45 67.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.839 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 27.2 mtmt -81.02 162.12 23.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.923 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.525 ' O ' ' CD2' ' A' ' 28' ' ' TRP . 11.0 p -87.27 16.92 4.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.169 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.479 ' HA ' ' CZ3' ' A' ' 28' ' ' TRP . 4.6 ptpp? -144.72 -177.77 5.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.892 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.574 ' CD1' ' N ' ' A' ' 68' ' ' THR . 12.0 t80 -165.52 153.04 10.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.877 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.574 ' N ' ' CD1' ' A' ' 67' ' ' PHE . 85.9 m -129.23 118.05 21.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.143 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.486 ' HB ' HD11 ' A' ' 72' ' ' LEU . 18.2 mt -73.5 109.33 5.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.127 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 30.4 p -85.35 133.63 34.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.138 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 86.34 77.27 1.23 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.468 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.486 HD11 ' HB ' ' A' ' 69' ' ' ILE . 30.9 mt -136.4 133.34 19.26 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.633 0.73 . . . . 0.0 110.856 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.42 ' HG2' ' CB ' ' A' ' 76' ' ' ALA . 53.7 Cg_endo -69.84 131.37 21.0 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.685 2.257 . . . . 0.0 112.287 179.867 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 25.6 m -60.39 138.47 57.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.098 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 22.3 t70 68.57 42.8 1.45 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.46 ' O ' HG12 ' A' ' 102' ' ' VAL . . . -122.11 139.51 53.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.104 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 50.7 mttt -99.03 127.54 44.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 8.0 pt -138.78 163.34 27.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.132 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 67.9 m-85 -101.3 162.33 12.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.834 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 90.1 t -144.81 127.8 11.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.147 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.554 ' CD ' ' CE1' ' A' ' 95' ' ' TYR . 4.7 mtm105 -144.23 131.36 20.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.547 ' CG1' HD12 ' A' ' 44' ' ' LEU . 3.4 m -119.67 149.37 22.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.159 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.52 ' HD2' HG23 ' A' ' 85' ' ' VAL . 0.1 OUTLIER -150.57 154.6 37.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.925 179.888 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -81.35 138.29 35.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.144 179.833 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.52 HG23 ' HD2' ' A' ' 83' ' ' LYS . 96.3 t -136.1 126.8 42.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.175 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -145.22 -179.89 6.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -44.95 -50.3 10.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.087 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -51.63 -55.49 19.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.098 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 173.36 -138.02 4.4 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.482 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -128.87 170.83 12.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.84 0.352 . . . . 0.0 111.101 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 58.3 p -112.95 169.33 9.0 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.858 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -61.58 143.32 93.7 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.592 0.711 . . . . 0.0 110.913 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.415 ' HB2' ' NH1' ' A' ' 81' ' ' ARG . 53.7 Cg_endo -69.77 145.66 57.79 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.71 2.273 . . . . 0.0 112.288 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 6.7 tmtm? -106.99 123.88 48.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.915 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' TYR . . . . . 0.554 ' CE1' ' CD ' ' A' ' 81' ' ' ARG . 6.9 m-85 -104.12 114.59 28.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.865 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' TYR . . . . . 0.589 ' HD1' HD12 ' A' ' 14' ' ' LEU . 27.3 t80 -60.38 171.14 1.13 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.962 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' SER . . . . . 0.454 ' N ' ' CD2' ' A' ' 96' ' ' TYR . 64.9 m -73.42 -73.57 0.21 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.842 -179.841 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -102.65 149.58 36.88 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.58 0.705 . . . . 0.0 110.943 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 137.34 35.29 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.689 2.259 . . . . 0.0 112.328 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.67 HD12 ' H ' ' A' ' 100' ' ' ILE . 3.8 mp -79.7 131.67 33.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.141 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 11.5 tp -109.95 104.02 12.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.878 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.519 HG13 ' O ' ' A' ' 102' ' ' VAL . 3.6 p -53.62 94.79 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.102 179.839 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 103' ' ' LYS . . . . . 0.519 ' O ' HG12 ' A' ' 19' ' ' VAL . 31.8 tptt -144.99 148.4 33.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 16.6 tm-20 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.964 179.931 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 N-CA-C 112.443 -0.263 . . . . 0.0 112.443 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.47 HG23 ' HA ' ' A' ' 34' ' ' ILE . 1.6 m -86.37 164.19 17.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.816 0.341 . . . . 0.0 111.125 -179.831 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.406 ' H ' HG22 ' A' ' 8' ' ' THR . 39.9 m -93.22 149.45 37.45 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.661 0.743 . . . . 0.0 110.858 -179.82 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 169.9 17.82 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.731 2.287 . . . . 0.0 112.364 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 130.29 19.05 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.689 2.26 . . . . 0.0 112.338 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 79.6 p -110.96 -175.33 2.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.099 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 29.9 mt 47.3 48.96 15.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.916 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.462 ' CD1' ' CD2' ' A' ' 96' ' ' TYR . 2.4 tm? -81.75 110.53 17.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.916 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.5 t -145.44 158.06 43.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.109 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.787 HG22 ' SD ' ' A' ' 26' ' ' MET . 4.6 t -89.09 120.07 37.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.146 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -77.45 -60.18 2.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.865 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.426 ' O ' HG23 ' A' ' 19' ' ' VAL . 2.2 t -126.76 166.54 17.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.857 -179.74 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.426 HG23 ' O ' ' A' ' 18' ' ' SER . 53.0 t -157.14 120.55 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.172 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.509 ' O ' HG23 ' A' ' 102' ' ' VAL . 0.8 OUTLIER -120.96 152.11 38.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.145 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -60.25 -10.78 5.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.845 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -105.52 -48.77 3.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.175 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.908 HG22 ' HA ' ' A' ' 70' ' ' THR . 58.1 p -135.09 163.11 30.64 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.165 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.497 ' CG2' HD12 ' A' ' 69' ' ' ILE . 4.6 m -130.18 130.89 65.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.144 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 37.9 m -102.01 144.95 29.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.134 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.787 ' SD ' HG22 ' A' ' 16' ' ' VAL . 77.8 mmm -132.06 134.47 45.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.864 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 9.5 ptt180 -115.4 151.35 34.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.88 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.477 ' CD2' ' O ' ' A' ' 65' ' ' THR . 11.7 p90 -159.1 167.56 28.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.899 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.478 ' HG3' ' N ' ' A' ' 30' ' ' PRO . 0.7 OUTLIER -119.77 143.2 34.52 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.553 0.692 . . . . 0.0 110.899 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.478 ' N ' ' HG3' ' A' ' 29' ' ' ARG . 53.5 Cg_endo -69.81 168.9 20.3 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.663 2.242 . . . . 0.0 112.33 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.488 ' HG2' HD13 ' A' ' 34' ' ' ILE . 54.1 Cg_endo -69.71 136.65 33.66 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.71 2.273 . . . . 0.0 112.355 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -40.88 -44.56 2.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.874 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 5.2 t-80 -125.14 162.16 25.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.856 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.488 HD13 ' HG2' ' A' ' 31' ' ' PRO . 3.2 mm . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.111 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.472 ' HB2' HG23 ' A' ' 34' ' ' ILE . 4.6 tp -106.63 127.55 53.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.819 0.343 . . . . 0.0 110.918 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.486 ' O ' HD22 ' A' ' 61' ' ' LEU . 0.2 OUTLIER -121.77 94.85 4.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.844 179.852 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 46.41 -160.7 0.23 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.495 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.432 ' CD1' ' N ' ' A' ' 42' ' ' TYR . 0.3 OUTLIER -148.71 163.76 36.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.936 0.398 . . . . 0.0 110.918 -179.783 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 98.9 t -107.99 136.76 42.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.154 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.9 tt -134.56 129.31 34.84 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.945 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -137.21 148.43 46.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 6.4 p90 -127.11 141.79 51.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.955 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 19.9 t -111.83 103.22 11.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.909 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -60.06 152.91 22.9 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -64.54 136.39 56.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 94.8 -35.41 4.25 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.528 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 50.3 p -88.65 123.02 32.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.718 0.294 . . . . 0.0 111.173 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.6 mp0 -89.02 29.71 1.02 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.894 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -130.64 132.68 45.59 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.822 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.589 ' CH2' ' HG2' ' A' ' 81' ' ' ARG . 83.5 m95 -79.99 117.54 20.92 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 16.8 mt -88.25 131.51 35.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.122 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 84.8 t -79.15 124.42 37.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.138 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -86.17 -60.53 1.98 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.087 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 13.1 p-10 -70.38 143.25 51.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.847 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -72.47 -60.77 2.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.915 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -115.92 -73.57 0.64 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.858 179.84 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.486 HD22 ' O ' ' A' ' 40' ' ' ASP . 7.3 mt -142.8 154.4 44.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.908 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.549 HG22 ' O ' ' A' ' 64' ' ' LYS . 14.7 mt -99.59 110.68 27.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.147 179.806 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -64.41 -60.02 3.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.842 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.549 ' O ' HG22 ' A' ' 62' ' ' ILE . 66.2 mttt -75.27 157.49 34.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.477 ' O ' ' CD2' ' A' ' 28' ' ' TRP . 29.8 p -81.74 7.06 13.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.132 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -121.56 143.18 49.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.938 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 25.1 t80 -138.15 145.6 41.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.893 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 91.9 m -133.57 127.66 33.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.203 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.497 HD12 ' CG2' ' A' ' 24' ' ' VAL . 10.7 mt -93.25 128.28 44.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.154 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.908 ' HA ' HG22 ' A' ' 23' ' ' THR . 25.5 p -104.5 140.01 38.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.155 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 86.06 63.7 1.51 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.46 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 61.3 mt -125.12 128.78 24.72 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.65 0.738 . . . . 0.0 110.913 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 128.54 16.22 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.737 2.291 . . . . 0.0 112.376 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.424 HG22 ' N ' ' A' ' 75' ' ' ASP . 22.7 m -54.55 155.87 3.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.147 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.424 ' N ' HG22 ' A' ' 74' ' ' THR . 0.9 OUTLIER 54.74 35.28 23.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 179.934 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.652 ' O ' HG12 ' A' ' 102' ' ' VAL . . . -114.8 130.67 56.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.087 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.471 ' HG2' HD13 ' A' ' 101' ' ' LEU . 40.6 mttm -95.99 121.89 38.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.927 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.579 HD12 ' C ' ' A' ' 78' ' ' ILE . 2.1 pp -134.89 157.16 40.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.192 179.837 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.4 ' HB3' ' NH1' ' A' ' 81' ' ' ARG . 94.2 m-85 -101.92 160.74 14.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.84 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.45 ' O ' ' NE ' ' A' ' 81' ' ' ARG . 79.7 t -141.63 115.97 5.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.17 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.589 ' HG2' ' CH2' ' A' ' 54' ' ' TRP . 15.5 mmp_? -118.68 136.8 53.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.854 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 7.9 m -128.8 134.61 64.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.1 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.434 ' NZ ' ' O ' ' A' ' 91' ' ' SER . 0.0 OUTLIER -132.99 174.25 10.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.895 179.902 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -110.58 142.26 42.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.076 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 18.1 t -139.04 123.64 20.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.143 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' ASN . . . . . 0.541 ' OD1' ' HB3' ' A' ' 88' ' ' ALA . 2.1 p30 -147.97 170.04 18.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.939 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.422 ' C ' ' O ' ' A' ' 86' ' ' ASN . . . -36.33 -41.73 0.29 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.065 179.87 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.541 ' HB3' ' OD1' ' A' ' 86' ' ' ASN . . . -56.69 -62.06 2.0 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.105 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 178.32 -132.87 2.01 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.455 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -135.81 150.11 49.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.754 0.312 . . . . 0.0 111.066 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' SER . . . . . 0.434 ' O ' ' NZ ' ' A' ' 83' ' ' LYS . 12.7 t -108.14 162.54 13.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.84 -179.799 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -65.7 141.38 97.76 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.61 0.719 . . . . 0.0 110.893 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 145.08 55.99 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.691 2.261 . . . . 0.0 112.313 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 8.3 tmtt? -86.59 119.78 27.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.905 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' TYR . . . . . 0.474 ' HA ' ' NE ' ' A' ' 81' ' ' ARG . 47.0 m-85 -90.55 109.49 20.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.949 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' TYR . . . . . 0.536 ' CE2' HG23 ' A' ' 16' ' ' VAL . 0.9 OUTLIER -61.15 123.24 17.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.912 -179.915 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 97' ' ' SER . . . . . 0.438 ' C ' ' O ' ' A' ' 96' ' ' TYR . 57.7 p -34.9 -70.18 0.09 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.89 -179.873 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -106.14 156.15 37.3 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.621 0.724 . . . . 0.0 110.874 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 166.75 26.55 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.716 2.277 . . . . 0.0 112.346 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.409 HG12 HG21 ' A' ' 16' ' ' VAL . 6.3 mt -112.31 122.67 66.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.12 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.471 HD13 ' HG2' ' A' ' 77' ' ' LYS . 14.7 tp -98.23 108.81 21.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.957 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.652 HG12 ' O ' ' A' ' 76' ' ' ALA . 0.9 OUTLIER -61.24 92.16 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.148 179.849 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 103' ' ' LYS . . . . . 0.412 ' O ' HG12 ' A' ' 19' ' ' VAL . 23.8 tptp -138.98 152.04 47.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.913 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.892 -179.99 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.462 HG22 ' N ' ' A' ' 9' ' ' SER . 20.9 m -95.27 158.61 15.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.805 0.336 . . . . 0.0 111.185 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.462 ' N ' HG22 ' A' ' 8' ' ' THR . 1.3 t -79.29 149.38 72.42 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.651 0.738 . . . . 0.0 110.881 -179.862 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 169.32 19.25 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.656 2.237 . . . . 0.0 112.37 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 119.67 6.58 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.642 2.228 . . . . 0.0 112.336 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 66.1 p -110.01 -176.67 3.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.144 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 47.0 mt 50.16 50.26 18.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.967 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -89.31 110.5 21.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.917 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.7 t -139.77 154.81 47.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.104 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.541 HG11 HG23 ' A' ' 19' ' ' VAL . 17.5 t -75.23 116.03 17.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.123 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -69.62 -59.38 3.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 48.2 m -154.83 132.86 11.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.831 -179.738 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.541 HG23 HG11 ' A' ' 16' ' ' VAL . 40.6 t -110.02 128.45 66.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.082 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -125.4 144.3 50.58 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.143 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -54.32 -21.38 9.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.909 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 20.9 p -92.2 -51.48 5.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.154 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 81.3 p -144.4 161.91 37.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.137 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.751 ' O ' HG23 ' A' ' 68' ' ' THR . 35.0 m -108.97 151.12 11.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.118 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 17.6 m -126.22 121.78 33.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.155 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 98.6 mmm -111.32 168.52 9.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.863 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 1.6 ptp180 -149.44 150.0 31.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.826 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 21.8 p90 -158.41 158.7 34.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.888 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 23.6 mtt-85 -114.63 158.4 40.35 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.631 0.729 . . . . 0.0 110.889 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 163.98 36.23 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.657 2.238 . . . . 0.0 112.366 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.419 ' O ' ' C ' ' A' ' 32' ' ' ASP . 53.5 Cg_endo -69.75 146.9 61.65 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.745 2.297 . . . . 0.0 112.333 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.419 ' C ' ' O ' ' A' ' 31' ' ' PRO . 5.0 t70 -35.42 -44.38 0.29 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.919 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 23.1 p-80 -148.93 167.25 26.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.847 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 15.3 mm . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.141 179.956 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.509 HD12 ' OD1' ' A' ' 86' ' ' ASN . 9.3 tp -133.64 130.99 39.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.825 0.345 . . . . 0.0 110.9 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.49 ' O ' HD22 ' A' ' 61' ' ' LEU . 11.6 m-20 -115.77 94.42 4.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.861 179.856 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.447 ' C ' ' O ' ' A' ' 40' ' ' ASP . . . 34.02 -147.7 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.511 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.551 ' O ' HD23 ' A' ' 61' ' ' LEU . 6.0 m-85 -148.4 -176.37 5.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.941 0.401 . . . . 0.0 110.945 -179.82 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 61.0 t -138.83 141.41 36.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.168 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.561 HD12 ' CG1' ' A' ' 82' ' ' VAL . 5.8 tp -126.62 139.09 53.44 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.91 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.471 ' OE1' ' N ' ' A' ' 45' ' ' GLU . 2.4 mp0 -145.91 135.87 23.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.856 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 21.2 p90 -124.72 137.41 54.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.925 -179.814 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.539 ' HB2' ' CD2' ' A' ' 54' ' ' TRP . 11.0 t -105.38 116.6 32.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.885 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -66.06 173.25 3.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.3 pp20? -95.44 13.5 25.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -124.32 -3.97 7.82 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.507 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 20.2 p -133.04 141.58 48.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.766 0.317 . . . . 0.0 111.141 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 57.5 mm-40 -88.96 28.34 1.19 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.869 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 33.1 m-20 -136.69 149.39 47.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.856 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.562 ' CZ3' ' HG2' ' A' ' 81' ' ' ARG . 92.1 m95 -84.56 132.31 34.53 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.947 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 5.2 mp -96.29 135.43 30.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.106 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 85.5 t -84.48 131.94 32.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.092 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -96.64 -58.29 2.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.064 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 18.5 p-10 -62.19 130.18 44.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.8 mppt? -61.86 -46.4 89.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.888 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -133.29 -67.73 0.61 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.846 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.551 HD23 ' O ' ' A' ' 42' ' ' TYR . 6.8 mt -149.39 143.27 25.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.884 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 7.4 mt -89.91 121.08 39.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.152 179.813 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -82.32 -56.05 4.14 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.886 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.2 mppt? -62.39 173.21 1.26 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.842 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 3.9 p -97.94 15.57 23.56 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.137 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 36.2 mttp -140.78 166.81 23.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.921 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.535 ' CD1' HD22 ' A' ' 44' ' ' LEU . 24.0 t80 -165.46 138.27 4.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.824 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.751 HG23 ' O ' ' A' ' 24' ' ' VAL . 91.4 m -120.61 120.17 35.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.104 -179.887 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.461 HD12 ' CG2' ' A' ' 24' ' ' VAL . 31.4 mt -72.1 114.24 10.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.079 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 40.0 p -91.78 130.01 37.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.184 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 97.33 72.17 1.08 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.5 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 81.1 mt -137.1 123.34 13.41 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.58 0.705 . . . . 0.0 110.899 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.468 ' O ' HG11 ' A' ' 102' ' ' VAL . 54.0 Cg_endo -69.7 133.24 25.19 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.692 2.262 . . . . 0.0 112.343 179.844 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 91.5 m -56.11 145.57 25.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.19 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 21.4 t0 65.46 36.29 6.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.885 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.459 ' O ' HD12 ' A' ' 101' ' ' LEU . . . -118.49 146.57 44.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.088 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 76.7 mttt -105.14 136.59 44.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.851 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 8.2 pt -146.87 151.6 13.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.127 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 81.3 m-85 -102.34 144.34 30.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 70.8 t -117.16 142.7 29.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.124 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.562 ' HG2' ' CZ3' ' A' ' 54' ' ' TRP . 0.2 OUTLIER -154.26 149.36 26.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.877 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.561 ' CG1' HD12 ' A' ' 44' ' ' LEU . 11.2 m -141.7 154.48 19.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.12 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.533 ' HZ1' ' HB1' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -149.23 158.77 44.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.877 179.93 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -98.58 128.55 44.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.052 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 91.5 t -117.24 117.73 56.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.117 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' ASN . . . . . 0.509 ' OD1' HD12 ' A' ' 39' ' ' LEU . 0.1 OUTLIER -138.81 164.46 29.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.863 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 86' ' ' ASN . . . -37.74 -52.59 1.27 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.126 179.879 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -40.53 -44.92 2.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.143 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 159.03 -106.31 0.28 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.516 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.533 ' HB1' ' HZ1' ' A' ' 83' ' ' LYS . . . -152.56 154.09 34.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.814 0.34 . . . . 0.0 111.038 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.1 m -102.34 166.77 10.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.856 -179.778 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -62.1 152.46 77.84 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.633 0.73 . . . . 0.0 110.889 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.528 ' HB2' ' CZ ' ' A' ' 95' ' ' TYR . 54.0 Cg_endo -69.77 150.18 67.81 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.649 2.233 . . . . 0.0 112.35 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 12.2 tptm -122.62 127.9 49.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' TYR . . . . . 0.528 ' CZ ' ' HB2' ' A' ' 93' ' ' PRO . 12.4 m-85 -127.11 136.89 52.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.922 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 19.5 t80 -70.04 175.51 4.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.942 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 12.3 m -71.05 -68.36 0.44 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.88 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 51.0 mt-30 -107.22 155.62 39.05 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.568 0.699 . . . . 0.0 110.951 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 146.98 61.66 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.717 2.278 . . . . 0.0 112.327 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.679 HD12 ' N ' ' A' ' 100' ' ' ILE . 2.9 mp -91.89 127.68 44.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.136 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.459 HD12 ' O ' ' A' ' 76' ' ' ALA . 9.5 tp -102.99 115.67 31.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.928 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.675 HG13 ' O ' ' A' ' 102' ' ' VAL . 8.1 p -60.37 89.65 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.153 179.867 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 103' ' ' LYS . . . . . 0.432 ' O ' HG12 ' A' ' 19' ' ' VAL . 20.5 tptp -139.12 151.62 46.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.915 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 6.5 tm-20 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 179.923 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -101.96 149.03 24.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.83 0.347 . . . . 0.0 111.158 -179.856 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.8 p -85.34 148.78 50.65 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.703 0.763 . . . . 0.0 110.851 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.68 168.06 22.54 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.696 2.264 . . . . 0.0 112.366 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.44 ' HG2' HG23 ' A' ' 82' ' ' VAL . 54.1 Cg_endo -69.77 120.95 7.65 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.711 2.274 . . . . 0.0 112.35 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 43.2 p -100.66 173.27 6.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.15 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 50.5 mt 56.31 52.7 9.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.925 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.429 HD13 ' C ' ' A' ' 14' ' ' LEU . 3.0 tm? -88.31 114.96 25.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.92 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 9.4 m -155.25 146.91 23.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.185 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.951 HG22 ' SD ' ' A' ' 26' ' ' MET . 97.6 t -68.59 114.4 5.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.154 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 44.0 t0 -65.27 -49.9 67.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 72.6 m -144.64 166.25 25.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.909 -179.779 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.593 ' CG2' HG11 ' A' ' 16' ' ' VAL . 92.7 t -148.25 123.38 2.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.158 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.461 ' O ' ' N ' ' A' ' 22' ' ' THR . 7.7 m -131.0 133.13 45.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.155 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -40.43 -25.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.861 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.461 ' N ' ' O ' ' A' ' 20' ' ' THR . 27.4 p -86.91 -57.91 2.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.122 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 61.8 p -137.2 168.84 18.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.2 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.63 ' CG2' HD12 ' A' ' 69' ' ' ILE . 33.0 m -123.44 147.34 27.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.146 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 4.3 m -112.87 124.14 51.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.137 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.951 ' SD ' HG22 ' A' ' 16' ' ' VAL . 69.8 mmm -111.69 154.28 25.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.844 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 5.8 ptm180 -148.13 147.17 29.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.837 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 40.9 p90 -147.94 170.12 18.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.966 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.497 ' CD ' ' HD2' ' A' ' 30' ' ' PRO . 4.5 tpt180 -116.0 140.25 26.05 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.596 0.713 . . . . 0.0 110.871 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.497 ' HD2' ' CD ' ' A' ' 29' ' ' ARG . 53.8 Cg_endo -69.85 169.94 17.86 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.661 2.241 . . . . 0.0 112.337 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.428 ' HG2' HD11 ' A' ' 34' ' ' ILE . 53.9 Cg_endo -69.69 152.06 69.61 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.701 2.267 . . . . 0.0 112.383 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -62.49 -40.38 96.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.856 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 25.2 m80 -131.03 167.77 18.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.912 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.428 HD11 ' HG2' ' A' ' 31' ' ' PRO . 4.0 mm . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.14 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.714 HD21 ' CZ ' ' A' ' 42' ' ' TYR . 8.2 tp -80.24 132.38 35.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.832 0.348 . . . . 0.0 110.935 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -118.29 95.9 5.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.834 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 48.69 -162.04 0.52 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.483 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.714 ' CZ ' HD21 ' A' ' 39' ' ' LEU . 20.8 m-85 -143.0 175.33 9.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.919 0.39 . . . . 0.0 110.943 -179.78 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.403 ' O ' ' NH2' ' A' ' 81' ' ' ARG . 55.0 t -135.86 125.95 41.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.106 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.422 HD23 ' N ' ' A' ' 45' ' ' GLU . 10.1 tt -122.75 143.91 49.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.906 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.422 ' N ' HD23 ' A' ' 44' ' ' LEU . 17.9 mt-10 -142.35 170.44 15.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.402 ' CE1' ' HB ' ' A' ' 55' ' ' ILE . 6.9 p90 -147.78 131.42 16.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.86 -179.849 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.518 ' HB2' ' CD2' ' A' ' 54' ' ' TRP . 9.3 t -103.5 111.46 23.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.863 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -75.69 135.73 40.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.888 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -59.94 120.3 9.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.873 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 100.88 33.57 4.95 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.511 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 74.8 p -126.94 173.21 9.8 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.756 0.312 . . . . 0.0 111.154 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -95.75 -38.1 10.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.879 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -139.74 154.24 47.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.518 ' CD2' ' HB2' ' A' ' 47' ' ' CYS . 21.0 m95 -51.78 178.22 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.402 ' HB ' ' CE1' ' A' ' 46' ' ' TYR . 19.0 mt -130.85 119.59 45.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.098 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.414 HG12 ' O ' ' A' ' 58' ' ' ASN . 77.9 t -65.92 119.41 10.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.136 179.851 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -87.61 -54.08 4.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.105 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.414 ' O ' HG12 ' A' ' 56' ' ' VAL . 31.0 p-10 -76.21 158.51 31.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.884 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 71.4 mttt -76.84 -73.33 0.29 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.858 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -110.1 -66.75 1.04 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.861 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 21.6 mt -149.59 151.23 33.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.856 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.411 HG22 ' O ' ' A' ' 64' ' ' LYS . 15.9 mt -98.31 108.31 21.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.103 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -61.06 -51.87 67.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.411 ' O ' HG22 ' A' ' 62' ' ' ILE . 46.4 mtmt -74.44 168.84 18.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.902 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 76.0 p -91.4 10.08 29.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.14 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 25.5 mtpt -125.39 156.52 38.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.912 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 32.3 t80 -150.57 156.86 42.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.896 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 97.1 m -137.16 117.89 14.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.154 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.63 HD12 ' CG2' ' A' ' 24' ' ' VAL . 11.0 mt -78.9 117.96 25.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.133 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 27.7 p -94.83 132.89 39.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.123 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 89.83 75.86 1.3 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.521 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 19.1 mt -137.64 124.22 13.37 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.58 0.705 . . . . 0.0 110.917 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.78 127.13 14.14 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.677 2.251 . . . . 0.0 112.343 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 9.4 m -53.52 143.5 19.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.092 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 26.9 t0 68.66 31.8 4.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -115.15 137.32 52.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.127 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 53.8 mttp -101.66 131.12 48.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.908 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 13.5 pt -138.73 153.31 25.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.199 179.832 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 49.6 m-85 -101.27 125.56 47.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.856 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 59.2 t -113.57 143.23 23.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.126 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.512 ' NE ' ' O ' ' A' ' 81' ' ' ARG . 0.0 OUTLIER -156.1 147.13 22.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.837 -179.959 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.44 HG23 ' HG2' ' A' ' 11' ' ' PRO . 28.1 m -131.68 165.07 32.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.094 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.407 ' HE3' ' CG2' ' A' ' 85' ' ' VAL . 0.0 OUTLIER -158.67 170.71 21.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 179.908 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -94.5 143.38 26.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.074 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.407 ' CG2' ' HE3' ' A' ' 83' ' ' LYS . 86.7 t -138.89 123.73 21.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.109 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -143.99 168.79 19.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.952 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -53.62 -21.43 6.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.153 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -77.52 -56.85 4.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.132 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -179.68 -168.44 38.51 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.454 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -113.62 162.37 16.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.803 0.335 . . . . 0.0 111.107 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 64.5 p -112.52 154.72 25.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.891 -179.799 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -48.94 143.84 8.06 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.612 0.72 . . . . 0.0 110.878 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 139.77 40.79 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.64 2.227 . . . . 0.0 112.336 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 31.1 tptt -98.91 99.45 10.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 -80.92 124.59 29.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.914 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' TYR . . . . . 0.435 ' O ' ' C ' ' A' ' 97' ' ' SER . 2.3 t80 -67.53 127.15 31.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.943 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 96' ' ' TYR . 73.4 m -35.18 -73.72 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.901 -179.86 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' GLN . . . . . 0.425 ' O ' ' CD1' ' A' ' 96' ' ' TYR . 3.6 pt20 -101.99 151.76 38.07 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.571 0.7 . . . . 0.0 110.917 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 151.39 69.44 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.698 2.265 . . . . 0.0 112.368 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.433 HD12 ' N ' ' A' ' 100' ' ' ILE . 4.7 mp -90.93 133.29 33.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.106 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.409 ' O ' ' N ' ' A' ' 103' ' ' LYS . 14.4 tp -109.25 102.19 11.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.924 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.603 HG13 ' O ' ' A' ' 102' ' ' VAL . 7.2 p -57.43 85.49 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.113 179.814 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 103' ' ' LYS . . . . . 0.409 ' N ' ' O ' ' A' ' 101' ' ' LEU . 10.5 tptp -137.95 137.87 38.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 9.4 tm-20 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.846 179.992 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.249 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.424 HG22 ' H ' ' A' ' 9' ' ' SER . 1.7 m -105.45 164.56 11.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.779 0.323 . . . . 0.0 111.17 -179.859 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.424 ' H ' HG22 ' A' ' 8' ' ' THR . 24.9 m -86.02 149.98 51.57 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.696 0.76 . . . . 0.0 110.851 -179.834 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 167.13 25.34 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.678 2.252 . . . . 0.0 112.341 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.51 ' HD3' ' HB2' ' A' ' 84' ' ' ALA . 54.1 Cg_endo -69.7 128.02 15.48 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.687 2.258 . . . . 0.0 112.368 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 60.5 p -111.09 -175.15 2.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.108 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 29.4 mt 53.27 41.26 32.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -81.83 112.2 18.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.935 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 4.1 m -150.59 151.86 33.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.118 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.551 HG22 ' SD ' ' A' ' 26' ' ' MET . 3.3 t -74.53 119.73 22.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.128 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 43.4 t0 -77.64 -49.91 13.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.863 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.4 t -148.79 162.64 39.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 -179.747 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 95.7 t -144.48 122.58 5.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.146 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.49 HG22 ' H ' ' A' ' 22' ' ' THR . 17.1 m -120.25 144.35 47.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.151 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -54.97 -17.83 4.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.835 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.49 ' H ' HG22 ' A' ' 20' ' ' THR . 1.4 m -96.8 -49.68 4.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.183 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 19.2 p -143.02 167.04 23.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.143 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.909 ' O ' HG23 ' A' ' 68' ' ' THR . 19.4 m -117.01 162.38 15.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.155 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 12.6 m -132.99 115.53 15.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.171 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.551 ' SD ' HG22 ' A' ' 16' ' ' VAL . 58.1 mmm -111.28 123.88 51.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.888 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 1.8 ptp180 -109.4 154.02 23.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.912 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.483 ' CZ3' HD12 ' A' ' 44' ' ' LEU . 16.8 p90 -160.23 170.74 20.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.911 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 25.6 mtt180 -125.61 157.08 69.65 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.574 0.702 . . . . 0.0 110.911 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 165.53 30.6 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.666 2.244 . . . . 0.0 112.348 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.528 ' HG2' HD13 ' A' ' 34' ' ' ILE . 53.4 Cg_endo -69.81 141.73 45.81 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.643 2.229 . . . . 0.0 112.34 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.405 ' C ' ' O ' ' A' ' 31' ' ' PRO . 9.4 t70 -37.8 -46.9 0.97 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.907 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -128.21 163.81 23.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.807 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.528 HD13 ' HG2' ' A' ' 31' ' ' PRO . 19.7 mm . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.178 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.254 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.699 HD21 ' CZ ' ' A' ' 42' ' ' TYR . 4.2 tp -85.4 126.54 33.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.763 0.316 . . . . 0.0 110.936 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -110.44 96.01 5.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.86 179.827 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.895 ' HA3' HD13 ' A' ' 61' ' ' LEU . . . 55.09 -160.33 5.71 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.504 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.699 ' CZ ' HD21 ' A' ' 39' ' ' LEU . 9.8 m-85 -145.35 -177.78 5.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.916 0.389 . . . . 0.0 110.927 -179.818 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.639 HG23 HG21 ' A' ' 85' ' ' VAL . 20.5 t -135.43 126.53 44.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.163 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.507 HD13 ' HB3' ' A' ' 67' ' ' PHE . 8.2 tt -123.07 132.92 54.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.928 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.427 ' N ' HD23 ' A' ' 44' ' ' LEU . 12.8 mt-10 -140.65 159.93 41.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.875 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 4.7 p90 -139.61 134.95 32.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.929 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.427 ' HB2' ' CE3' ' A' ' 54' ' ' TRP . 27.3 t -101.55 115.94 31.65 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.859 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -70.06 136.23 50.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.41 ' HG3' ' N ' ' A' ' 50' ' ' GLY . 4.0 pt-20 -61.41 -29.13 69.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.887 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.41 ' N ' ' HG3' ' A' ' 49' ' ' GLU . . . -68.03 -13.54 64.47 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.486 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 51.3 p -128.36 -176.78 3.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.743 0.306 . . . . 0.0 111.161 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -128.79 30.78 5.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.879 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -136.57 153.12 51.06 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.835 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.556 ' CH2' ' HG3' ' A' ' 81' ' ' ARG . 96.1 m95 -84.15 119.63 25.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 37.3 mt -93.33 135.08 29.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.093 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 93.4 t -74.56 123.51 30.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.158 179.822 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -92.15 -40.92 10.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.12 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 9.8 p-10 -103.25 122.39 44.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.2 ttmp? -54.89 -53.38 56.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.435 ' O ' ' C ' ' A' ' 61' ' ' LEU . 3.6 m-20 -129.04 165.71 20.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.891 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.895 HD13 ' HA3' ' A' ' 41' ' ' GLY . 1.6 pp -34.64 135.28 0.18 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.923 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 21.2 mt -86.3 105.34 14.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.148 179.855 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 -57.03 -53.7 55.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.875 179.846 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.4 mppt? -65.96 179.59 0.87 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.918 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 8.3 p -109.89 19.95 18.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.157 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 13.0 ttpp -146.92 140.24 25.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.909 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.507 ' HB3' HD13 ' A' ' 44' ' ' LEU . 24.0 t80 -135.36 154.62 51.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.909 HG23 ' O ' ' A' ' 24' ' ' VAL . 78.1 m -138.65 115.02 10.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.143 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 25.0 mt -72.22 107.63 3.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.167 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 8.9 p -84.01 138.11 33.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.139 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 83.87 71.31 1.32 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.439 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 13.1 mt -128.27 131.3 23.7 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.607 0.718 . . . . 0.0 110.903 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.451 ' O ' HG11 ' A' ' 102' ' ' VAL . 53.9 Cg_endo -69.81 133.55 25.73 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.68 2.253 . . . . 0.0 112.354 179.838 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 12.2 m -60.82 149.57 35.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.104 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.8 t70 58.97 36.89 24.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.475 ' O ' HG12 ' A' ' 102' ' ' VAL . . . -115.48 138.04 51.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.107 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 55.5 mttp -99.15 130.35 45.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.911 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.435 HD12 ' C ' ' A' ' 78' ' ' ILE . 2.4 pp -142.0 160.67 20.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.164 179.874 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 85.0 m-85 -100.41 175.88 5.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.864 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.551 HG11 ' HG3' ' A' ' 26' ' ' MET . 95.6 t -154.96 116.44 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.136 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.559 ' HD2' ' CD1' ' A' ' 95' ' ' TYR . 13.1 mmp_? -129.13 122.19 29.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.884 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 26.1 m -114.68 129.08 71.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.128 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 10.0 ptpt -118.82 174.41 6.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.85 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.51 ' HB2' ' HD3' ' A' ' 11' ' ' PRO . . . -106.86 129.27 54.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.098 179.838 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.639 HG21 HG23 ' A' ' 43' ' ' VAL . 61.9 t -115.96 127.44 73.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.165 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' ASN . . . . . 0.436 ' N ' ' ND2' ' A' ' 86' ' ' ASN . 0.2 OUTLIER -134.81 171.26 14.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.892 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -53.8 -40.56 66.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.129 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.68 -49.24 73.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.067 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -179.09 -122.16 0.75 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.529 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -156.02 153.79 30.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.773 0.321 . . . . 0.0 111.108 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 74.2 m -104.39 169.91 8.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.813 -179.762 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -62.89 142.68 97.4 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.621 0.724 . . . . 0.0 110.918 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 155.04 66.99 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.715 2.276 . . . . 0.0 112.362 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 9.4 tmtt? -87.71 115.86 25.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' TYR . . . . . 0.559 ' CD1' ' HD2' ' A' ' 81' ' ' ARG . 39.0 m-85 -91.0 105.41 17.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' TYR . . . . . 0.529 ' CD1' ' N ' ' A' ' 97' ' ' SER . 34.6 t80 -61.31 169.0 2.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.953 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' SER . . . . . 0.529 ' N ' ' CD1' ' A' ' 96' ' ' TYR . 35.5 t -66.25 -73.57 0.13 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.874 -179.804 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -114.28 161.45 28.28 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.63 0.729 . . . . 0.0 110.871 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 145.36 56.73 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.637 2.224 . . . . 0.0 112.359 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.574 HD12 ' H ' ' A' ' 100' ' ' ILE . 4.0 mp -86.58 147.32 5.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.163 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 13.6 tp -119.04 115.87 25.21 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.703 HG13 ' O ' ' A' ' 102' ' ' VAL . 10.0 p -62.75 82.82 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.119 179.854 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 19.7 tptt -140.66 132.24 27.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.894 179.939 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.442 -0.263 . . . . 0.0 112.442 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.636 HG23 ' HA ' ' A' ' 34' ' ' ILE . 6.6 m -88.3 161.0 17.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.825 0.345 . . . . 0.0 111.131 -179.874 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.449 ' N ' HG22 ' A' ' 8' ' ' THR . 1.0 OUTLIER -79.22 143.99 61.71 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.68 0.753 . . . . 0.0 110.831 -179.855 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 169.91 17.87 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.646 2.231 . . . . 0.0 112.336 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.531 ' HG2' HG23 ' A' ' 82' ' ' VAL . 53.9 Cg_endo -69.85 114.36 3.69 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.664 2.243 . . . . 0.0 112.333 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 37.9 p -103.3 173.51 6.27 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.155 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 83.2 mt 54.18 52.87 11.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.853 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.668 HD13 ' HD2' ' A' ' 96' ' ' TYR . 0.0 OUTLIER -80.77 109.01 14.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.924 179.863 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.473 HG22 ' N ' ' A' ' 16' ' ' VAL . 69.0 m -135.42 156.89 48.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.145 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.475 HG23 ' OH ' ' A' ' 96' ' ' TYR . 2.8 t -80.23 133.4 29.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.132 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -85.91 -48.86 8.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.842 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.5 t -155.93 165.15 37.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.87 -179.791 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.462 HG13 HG12 ' A' ' 24' ' ' VAL . 58.9 t -148.72 128.33 3.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.095 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.3 m -142.14 135.56 29.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.202 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 56.7 m-20 -38.89 -34.05 0.14 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.882 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 82.5 p -73.01 -49.17 30.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.124 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 81.2 p -155.34 166.73 32.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.146 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.462 HG12 HG13 ' A' ' 19' ' ' VAL . 30.6 m -121.96 142.31 38.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.137 179.857 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 27.7 m -108.59 142.49 38.96 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.086 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.436 ' SD ' HG13 ' A' ' 16' ' ' VAL . 77.9 mmm -129.63 139.04 51.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 27.3 ptt180 -133.33 144.09 49.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.879 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 45.1 p90 -142.82 172.5 12.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.912 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.491 ' CD ' ' HD2' ' A' ' 30' ' ' PRO . 6.2 tpt180 -106.66 139.35 20.27 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.575 0.702 . . . . 0.0 110.878 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.491 ' HD2' ' CD ' ' A' ' 29' ' ' ARG . 53.3 Cg_endo -69.76 164.38 34.76 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.708 2.272 . . . . 0.0 112.354 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.454 ' HG2' HD11 ' A' ' 34' ' ' ILE . 54.2 Cg_endo -69.82 130.16 18.78 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.681 2.254 . . . . 0.0 112.356 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 31' ' ' PRO . 2.6 p30 -37.06 -43.64 0.49 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.851 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.405 ' C ' HD12 ' A' ' 34' ' ' ILE . 89.8 m-70 -150.44 148.83 29.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.807 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.636 ' HA ' HG23 ' A' ' 8' ' ' THR . 0.7 OUTLIER . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.151 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.518 ' HA ' ' ND2' ' A' ' 86' ' ' ASN . 5.5 tp -120.14 131.27 54.96 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.823 0.344 . . . . 0.0 110.942 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.543 ' O ' HD22 ' A' ' 61' ' ' LEU . 0.4 OUTLIER -103.27 94.1 5.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.867 179.878 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.459 ' C ' ' CG ' ' A' ' 42' ' ' TYR . . . 33.8 -139.3 0.13 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.442 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.459 ' CG ' ' C ' ' A' ' 41' ' ' GLY . 0.2 OUTLIER -157.38 177.22 11.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.933 0.396 . . . . 0.0 110.893 -179.771 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.502 HG12 ' OE1' ' A' ' 45' ' ' GLU . 59.6 t -124.51 129.88 73.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.09 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 6.7 tt -128.9 130.34 46.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.917 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.502 ' OE1' HG12 ' A' ' 43' ' ' VAL . 1.5 mp0 -136.01 145.52 46.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.907 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 13.5 p90 -122.97 139.37 54.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.943 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.534 ' HB2' ' CD2' ' A' ' 54' ' ' TRP . 48.6 t -110.72 115.46 29.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.911 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -76.92 134.43 38.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.902 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -54.44 99.41 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.853 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 130.62 39.13 0.28 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.477 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 43.4 p -151.7 173.47 14.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.758 0.313 . . . . 0.0 111.187 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -121.13 -0.22 10.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.89 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 15.4 p-10 -138.0 138.98 39.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.92 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.534 ' CD2' ' HB2' ' A' ' 47' ' ' CYS . 69.1 m95 -70.44 133.92 47.3 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.941 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.477 ' H ' HD12 ' A' ' 55' ' ' ILE . 5.0 mp -83.05 112.78 21.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.113 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 92.8 t -56.85 122.56 6.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.119 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -90.91 -60.13 1.99 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.134 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 24.9 p-10 -71.67 157.46 37.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.925 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 16.9 tttp -87.77 -53.06 4.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.846 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -122.19 -71.36 0.73 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.886 179.881 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.543 HD22 ' O ' ' A' ' 40' ' ' ASP . 12.0 mt -151.88 148.83 28.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.978 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.764 HG22 ' O ' ' A' ' 64' ' ' LYS . 43.1 mt -92.93 106.65 18.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.144 179.835 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -58.39 -60.87 3.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.856 179.827 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.764 ' O ' HG22 ' A' ' 62' ' ' ILE . 31.2 mttp -75.76 162.25 28.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.954 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 29.8 p -87.32 37.03 0.76 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.131 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 22.1 ttmt -149.93 144.42 25.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 60.2 t80 -141.72 152.95 44.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.907 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 60.5 m -134.04 118.0 17.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.122 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 26.4 mt -75.95 118.17 21.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.145 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 55.5 p -93.88 138.69 31.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.092 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 77.2 75.49 0.92 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.522 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 22.3 mt -132.05 132.51 23.14 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.531 0.681 . . . . 0.0 110.926 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.523 ' O ' HG11 ' A' ' 102' ' ' VAL . 53.4 Cg_endo -69.79 147.2 62.18 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.697 2.265 . . . . 0.0 112.31 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.503 HG22 ' N ' ' A' ' 75' ' ' ASP . 24.8 m -69.86 160.33 31.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.164 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.503 ' N ' HG22 ' A' ' 74' ' ' THR . 0.6 OUTLIER 46.82 48.15 15.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.917 179.954 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.537 ' O ' HG12 ' A' ' 102' ' ' VAL . . . -125.79 149.07 48.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.064 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.467 ' HE2' ' CD2' ' A' ' 101' ' ' LEU . 29.6 mttm -114.45 126.11 54.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.895 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 7.1 pt -132.87 152.79 36.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.136 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -101.56 145.49 28.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.918 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.41 HG23 HD13 ' A' ' 100' ' ' ILE . 60.7 t -116.54 138.44 47.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.128 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.657 ' CZ ' ' CZ ' ' A' ' 95' ' ' TYR . 31.8 mmm-85 -137.57 129.94 29.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.531 HG23 ' HG2' ' A' ' 11' ' ' PRO . 13.2 m -126.13 134.5 66.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.169 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.645 ' NZ ' ' HB1' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -134.56 145.87 49.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 179.964 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.44 ' HB3' ' CB ' ' A' ' 91' ' ' SER . . . -81.59 141.0 34.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.144 179.782 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.477 HG23 ' CD ' ' A' ' 83' ' ' LYS . 77.0 t -141.02 126.39 18.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.121 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' ASN . . . . . 0.518 ' ND2' ' HA ' ' A' ' 39' ' ' LEU . 2.3 m120 -132.74 169.12 17.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.906 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -49.74 -34.63 19.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.127 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.1 -52.66 64.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.141 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -176.94 -110.98 0.28 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.453 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.645 ' HB1' ' NZ ' ' A' ' 83' ' ' LYS . . . -152.14 169.16 23.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.797 0.332 . . . . 0.0 111.121 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' SER . . . . . 0.44 ' CB ' ' HB3' ' A' ' 84' ' ' ALA . 1.4 t -124.32 168.0 13.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.856 -179.774 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -68.35 141.86 93.99 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.65 0.738 . . . . 0.0 110.875 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.406 ' CB ' HH21 ' A' ' 81' ' ' ARG . 54.4 Cg_endo -69.75 158.87 55.49 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.685 2.256 . . . . 0.0 112.365 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.425 ' NZ ' ' HB2' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -122.43 109.31 14.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 179.907 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 95' ' ' TYR . . . . . 0.657 ' CZ ' ' CZ ' ' A' ' 81' ' ' ARG . 44.4 m-85 -76.42 136.24 39.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' TYR . . . . . 0.668 ' HD2' HD13 ' A' ' 14' ' ' LEU . 35.7 t80 -74.65 162.83 28.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.945 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' SER . . . . . 0.586 ' N ' ' CD1' ' A' ' 96' ' ' TYR . 3.8 m -62.1 -75.35 0.07 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.868 -179.852 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' GLN . . . . . 0.431 ' O ' ' CD1' ' A' ' 96' ' ' TYR . 14.4 mm-40 -119.37 159.8 44.18 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.562 0.696 . . . . 0.0 110.915 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 137.28 35.14 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.687 2.258 . . . . 0.0 112.363 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.624 HD12 ' H ' ' A' ' 100' ' ' ILE . 4.2 mp -80.66 134.38 27.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.13 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.471 ' O ' ' N ' ' A' ' 103' ' ' LYS . 0.1 OUTLIER -100.69 103.81 15.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.941 179.856 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.537 HG12 ' O ' ' A' ' 76' ' ' ALA . 3.5 p -57.18 82.07 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.091 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 103' ' ' LYS . . . . . 0.471 ' N ' ' O ' ' A' ' 101' ' ' LEU . 13.7 tptm -143.94 134.61 24.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.939 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.9 179.998 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.653 HG21 ' HB2' ' A' ' 39' ' ' LEU . 16.8 p -85.63 154.73 21.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.789 0.328 . . . . 0.0 111.13 -179.878 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.6 m -79.34 149.81 72.9 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.68 0.752 . . . . 0.0 110.868 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 157.69 59.56 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.751 2.301 . . . . 0.0 112.33 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 120.26 7.07 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.693 2.262 . . . . 0.0 112.324 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 69.4 p -101.92 -178.94 3.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.123 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 34.8 mt 56.1 49.54 15.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.925 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.424 ' CD1' ' CD2' ' A' ' 96' ' ' TYR . 2.1 tm? -82.84 112.5 19.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.887 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 4.8 t -148.28 157.6 43.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.153 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 4.5 t -82.51 112.49 20.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.146 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -61.88 -47.73 83.66 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.837 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 10.7 p -159.33 161.03 35.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.851 -179.761 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 24.1 t -138.23 134.13 44.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.148 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.413 ' O ' ' C ' ' A' ' 21' ' ' ASP . 1.6 m -145.94 132.56 19.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.129 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.413 ' C ' ' O ' ' A' ' 20' ' ' THR . 3.0 p-10 -37.6 -33.09 0.06 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.401 ' N ' ' O ' ' A' ' 20' ' ' THR . 38.9 p -71.53 -53.77 12.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.137 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 80.9 p -152.46 169.34 22.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.165 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.431 ' CG2' HD12 ' A' ' 69' ' ' ILE . 20.4 m -118.39 142.94 30.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.141 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 10.7 m -111.35 143.65 41.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.152 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 77.8 mmm -130.18 160.61 33.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.858 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 9.0 ptm180 -149.85 130.76 14.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.881 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 30.1 p90 -132.76 165.98 23.28 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.855 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.492 ' CD ' ' HD2' ' A' ' 30' ' ' PRO . 5.1 tpt180 -114.89 139.77 24.64 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.569 0.699 . . . . 0.0 110.896 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.492 ' HD2' ' CD ' ' A' ' 29' ' ' ARG . 54.4 Cg_endo -69.7 167.69 23.65 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.651 2.234 . . . . 0.0 112.395 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 131.32 20.97 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.661 2.241 . . . . 0.0 112.374 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -40.25 -36.93 0.58 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.821 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 20.5 t60 -139.11 156.18 47.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.821 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.577 HD12 ' HB3' ' A' ' 39' ' ' LEU . 26.4 mm . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.165 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.404 ' O ' ' CB ' ' A' ' 86' ' ' ASN . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.653 ' HB2' HG21 ' A' ' 8' ' ' THR . 8.9 tp -90.46 142.14 28.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.806 0.336 . . . . 0.0 110.904 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 81.1 m-20 -128.06 100.16 5.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.857 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 39.66 -160.77 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.48 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.493 ' N ' ' CD1' ' A' ' 42' ' ' TYR . 0.3 OUTLIER -142.88 155.53 44.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.919 0.39 . . . . 0.0 110.907 -179.776 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 81.2 t -118.89 133.69 64.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.088 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.4 tt -128.95 133.16 47.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.963 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.413 ' OE1' ' N ' ' A' ' 45' ' ' GLU . 1.6 mp0 -134.48 153.07 52.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.839 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 9.5 p90 -132.61 131.8 41.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.926 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.5 ' HB2' ' CD2' ' A' ' 54' ' ' TRP . 47.2 t -105.13 104.71 14.5 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.886 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.461 ' HA ' HG22 ' A' ' 78' ' ' ILE . 4.1 t80 -49.41 174.37 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.928 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -77.83 131.68 37.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.923 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 82.39 -27.71 3.59 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.452 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -65.14 119.23 10.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.726 0.298 . . . . 0.0 111.119 -179.829 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -86.21 16.78 4.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.935 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -139.04 129.45 25.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.884 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.599 ' CE2' ' CZ ' ' A' ' 81' ' ' ARG . 75.5 m95 -68.08 151.62 46.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.957 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 18.2 mt -124.5 115.57 44.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.104 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 31.9 t -72.33 134.16 30.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.142 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -85.62 -43.84 13.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.121 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 21.6 p-10 -83.72 -176.4 6.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.858 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -113.91 -45.44 3.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.94 179.856 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.56 ' O ' HD23 ' A' ' 61' ' ' LEU . 0.1 OUTLIER -120.9 -63.61 1.32 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.89 179.861 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.56 HD23 ' O ' ' A' ' 60' ' ' ASP . 85.8 mt -153.86 -178.0 6.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.916 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 36.5 mt -128.05 106.97 15.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.164 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -86.27 47.47 1.47 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 179.833 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 30.2 mttm -159.58 157.04 29.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.941 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 15.5 p -90.75 19.62 5.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.127 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 12.7 mtmm -151.78 160.3 43.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.859 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 12.2 t80 -155.58 143.56 19.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.88 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 92.5 m -126.99 112.09 14.84 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.136 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.431 HD12 ' CG2' ' A' ' 24' ' ' VAL . 55.5 mt -66.26 108.87 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.161 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 29.0 p -83.77 131.9 34.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.105 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 84.36 84.27 0.96 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.481 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 6.2 mt -137.71 127.79 15.44 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.597 0.713 . . . . 0.0 110.917 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 128.76 16.47 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.635 2.223 . . . . 0.0 112.345 179.834 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 54.2 m -54.57 149.85 10.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.127 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 9.6 t70 60.7 32.94 20.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.884 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.599 ' O ' HG12 ' A' ' 102' ' ' VAL . . . -112.62 141.76 46.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.091 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.1 mmmm -109.97 131.64 54.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.474 HD12 ' C ' ' A' ' 78' ' ' ILE . 2.4 pp -139.47 159.31 28.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.11 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 92.7 m-85 -108.36 132.0 54.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.865 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.555 HG23 HD12 ' A' ' 100' ' ' ILE . 55.2 t -110.99 138.09 40.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.123 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.599 ' CZ ' ' CE2' ' A' ' 54' ' ' TRP . 19.1 ptt180 -153.3 139.31 18.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.892 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 7.5 m -127.53 156.46 39.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.109 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.08 133.22 10.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.894 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -59.47 148.51 32.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.122 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 57.3 t -139.25 118.15 12.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.121 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' ASN . . . . . 0.475 ' ND2' ' HB3' ' A' ' 88' ' ' ALA . 1.9 p-10 -128.98 179.0 5.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.904 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -48.78 -40.64 29.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.065 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.475 ' HB3' ' ND2' ' A' ' 86' ' ' ASN . . . -63.25 -57.08 11.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.106 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -178.91 -114.2 0.41 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.497 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -156.95 172.2 19.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.819 0.343 . . . . 0.0 111.124 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 25.5 m -105.46 169.18 8.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.85 -179.777 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -57.82 142.84 78.06 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.606 0.717 . . . . 0.0 110.873 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 127.74 14.97 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.671 2.248 . . . . 0.0 112.311 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 4.8 tmtm? -83.68 101.62 11.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.898 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -83.42 115.38 22.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.936 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' TYR . . . . . 0.424 ' CD2' ' CD1' ' A' ' 14' ' ' LEU . 0.2 OUTLIER -65.45 119.22 10.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.95 -179.898 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 97' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 96' ' ' TYR . 57.3 p -36.38 -63.74 0.37 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.83 -179.829 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -106.34 140.61 21.46 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.625 0.726 . . . . 0.0 110.915 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 164.37 34.84 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.675 2.25 . . . . 0.0 112.301 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.555 HD12 HG23 ' A' ' 80' ' ' VAL . 10.3 mt -98.2 144.84 10.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.098 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.9 tp -117.9 106.41 12.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.925 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.599 HG12 ' O ' ' A' ' 76' ' ' ALA . 1.6 p -65.64 90.83 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.126 179.856 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 7.1 tptm -142.13 138.38 31.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.856 179.991 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.405 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 1' ' ' GLY . 37.7 t -37.48 123.98 1.0 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.856 0.36 . . . . 0.0 110.866 -179.782 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.1 t -123.15 123.52 41.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.893 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 132.77 107.29 1.04 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.469 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.1 m -115.52 176.16 5.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.895 0.379 . . . . 0.0 110.881 -179.771 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 92.5 p -62.38 115.85 4.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.889 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -82.67 7.74 64.52 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.478 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.651 HG22 ' H ' ' A' ' 9' ' ' SER . 2.1 m -90.86 172.33 8.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.778 0.323 . . . . 0.0 111.194 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.651 ' H ' HG22 ' A' ' 8' ' ' THR . 1.0 OUTLIER -99.64 143.69 26.91 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.644 0.735 . . . . 0.0 110.876 -179.857 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 167.64 23.9 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.663 2.242 . . . . 0.0 112.342 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.465 ' CD ' ' HA ' ' A' ' 83' ' ' LYS . 54.2 Cg_endo -69.71 120.61 7.38 Favored 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 122.686 2.257 . . . . 0.0 112.348 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 64.0 p -107.91 -177.25 3.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.159 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 29.9 mt 50.83 50.15 19.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.911 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.576 ' CD1' ' CD2' ' A' ' 96' ' ' TYR . 2.6 tm? -85.8 113.96 22.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.924 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.493 ' CG2' ' N ' ' A' ' 16' ' ' VAL . 3.5 m -147.38 157.69 43.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.154 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.568 HG22 ' SD ' ' A' ' 26' ' ' MET . 4.7 t -81.45 127.34 39.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.143 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 37.9 t0 -81.79 -56.39 4.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.86 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 7.9 t -146.43 157.12 43.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.882 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.419 HG11 ' O ' ' A' ' 101' ' ' LEU . 91.7 t -133.13 139.54 49.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.143 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.446 ' O ' ' N ' ' A' ' 22' ' ' THR . 0.7 OUTLIER -142.88 131.72 22.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.134 -179.918 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.625 ' OD1' HG23 ' A' ' 74' ' ' THR . 11.3 m-20 -41.42 -24.82 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.834 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.446 ' N ' ' O ' ' A' ' 20' ' ' THR . 5.7 p -83.91 -53.4 5.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.171 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 6.5 p -145.12 168.95 19.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.104 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.401 ' O ' HG23 ' A' ' 68' ' ' THR . 16.2 m -119.71 144.66 27.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.12 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 54.4 m -109.91 138.08 46.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.172 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.568 ' SD ' HG22 ' A' ' 16' ' ' VAL . 92.2 mmm -133.97 129.91 36.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.91 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 15.9 ptm180 -117.76 156.81 27.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.847 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 16.1 p90 -156.62 161.95 39.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -108.82 149.79 39.99 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.598 0.713 . . . . 0.0 110.894 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 165.71 30.07 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.691 2.26 . . . . 0.0 112.354 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 152.89 69.5 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.66 2.24 . . . . 0.0 112.373 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 69.4 m-20 -56.98 -30.35 64.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.855 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 76.7 m-70 -145.91 169.66 18.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.866 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.468 ' HA ' HG23 ' A' ' 8' ' ' THR . 6.2 mm -123.97 137.02 58.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.129 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -60.62 154.43 35.02 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.514 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -46.74 -61.2 1.95 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.799 0.333 . . . . 0.0 111.088 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -42.3 -46.92 4.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.091 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 119.7 146.04 7.67 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.492 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.634 HD21 ' CZ ' ' A' ' 42' ' ' TYR . 4.0 tp -82.49 130.28 35.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.78 0.324 . . . . 0.0 110.952 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -109.58 94.38 5.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 42.07 -158.04 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.475 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.634 ' CZ ' HD21 ' A' ' 39' ' ' LEU . 8.6 m-85 -143.17 171.65 13.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.927 0.394 . . . . 0.0 110.924 -179.788 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 49.0 t -132.78 138.77 51.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.155 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.3 tt -129.92 129.59 44.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.927 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.604 ' OE2' HG22 ' A' ' 56' ' ' VAL . 5.7 mm-40 -125.13 161.76 26.12 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.905 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 12.4 p90 -149.58 133.51 17.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.931 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.485 ' HB2' ' CD2' ' A' ' 54' ' ' TRP . 1.2 t -106.91 130.77 54.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.866 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -87.29 136.15 33.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.873 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -57.4 140.61 49.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.887 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 93.55 -3.62 71.93 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.496 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 15.3 p -115.59 178.34 4.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.746 0.308 . . . . 0.0 111.148 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.45 ' N ' ' CD ' ' A' ' 52' ' ' GLU . 0.4 OUTLIER -129.04 3.29 5.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.913 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -127.79 141.91 51.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.933 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.503 ' CH2' ' HD3' ' A' ' 81' ' ' ARG . 43.9 m95 -82.19 153.85 25.77 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.908 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.449 ' C ' ' OE1' ' A' ' 45' ' ' GLU . 47.5 mt -112.27 120.42 62.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.163 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.604 HG22 ' OE2' ' A' ' 45' ' ' GLU . 58.2 t -56.53 146.93 5.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.167 179.821 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.733 ' HB1' ' CZ ' ' A' ' 67' ' ' PHE . . . -116.65 -53.13 2.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.105 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -77.95 134.35 37.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.894 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 46.0 tttt -67.99 -65.49 0.69 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.831 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.649 ' O ' HD23 ' A' ' 61' ' ' LEU . 4.2 m-20 -113.15 -72.25 0.71 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.885 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.649 HD23 ' O ' ' A' ' 60' ' ' ASP . 13.2 mt -146.99 140.64 25.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.903 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.538 HG22 ' O ' ' A' ' 64' ' ' LYS . 54.3 mt -86.1 104.69 13.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.135 179.843 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 27.5 m-20 -66.12 -60.1 3.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.852 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.538 ' O ' HG22 ' A' ' 62' ' ' ILE . 26.6 mmtp -67.63 169.02 10.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.932 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 11.1 p -91.89 8.64 36.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.146 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 38.6 mtpt -124.7 152.64 43.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.918 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.733 ' CZ ' ' HB1' ' A' ' 57' ' ' ALA . 58.6 t80 -148.57 145.89 28.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.908 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.401 HG23 ' O ' ' A' ' 24' ' ' VAL . 55.1 m -131.41 125.48 32.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.116 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.403 ' HB ' HD11 ' A' ' 72' ' ' LEU . 27.8 mt -82.53 106.38 13.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.124 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 37.9 p -82.19 150.0 27.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.157 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 71.19 75.77 0.61 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.46 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.403 HD11 ' HB ' ' A' ' 69' ' ' ILE . 27.6 mt -134.77 133.67 21.39 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.638 0.733 . . . . 0.0 110.893 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.423 ' O ' HG11 ' A' ' 102' ' ' VAL . 54.1 Cg_endo -69.71 129.59 17.92 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.734 2.289 . . . . 0.0 112.323 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.625 HG23 ' OD1' ' A' ' 21' ' ' ASP . 10.1 m -57.52 143.33 41.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.176 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 35.5 t70 64.88 41.26 4.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.878 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -123.74 132.02 53.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.093 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 72.3 mttt -94.94 125.25 39.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.849 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 11.7 pt -129.66 148.16 33.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.098 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -98.6 127.2 44.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.866 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 53.5 t -106.14 139.07 28.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.162 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.503 ' HD3' ' CH2' ' A' ' 54' ' ' TRP . 24.6 ptt85 -148.96 132.29 16.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.877 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 19.1 m -126.56 160.95 33.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.119 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.465 ' HA ' ' CD ' ' A' ' 11' ' ' PRO . 0.0 OUTLIER -155.53 170.86 20.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 179.928 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.427 ' N ' ' HD3' ' A' ' 11' ' ' PRO . . . -95.08 135.24 36.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.12 179.829 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 55.4 t -126.46 109.8 21.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.092 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.73 HD22 ' N ' ' A' ' 86' ' ' ASN . 0.5 OUTLIER -117.6 160.85 20.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.89 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -55.01 -14.37 1.48 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.124 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -85.11 -35.94 21.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.135 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 173.18 -125.77 1.18 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.508 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -157.01 159.64 38.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.821 0.343 . . . . 0.0 111.071 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.0 t -105.88 166.42 10.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.855 -179.781 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -61.97 143.65 94.48 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.603 0.716 . . . . 0.0 110.866 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 145.98 58.59 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.663 2.242 . . . . 0.0 112.343 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 19.4 tptp -98.38 123.51 42.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.88 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 68.5 m-85 -102.38 112.88 25.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.987 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' TYR . . . . . 0.576 ' CD2' ' CD1' ' A' ' 14' ' ' LEU . 0.3 OUTLIER -63.8 117.79 7.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.932 -179.864 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 97' ' ' SER . . . . . 0.438 ' C ' ' O ' ' A' ' 96' ' ' TYR . 1.4 t -34.63 -55.88 0.54 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.867 -179.814 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 11.3 mm100 -113.16 146.87 36.11 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.566 0.698 . . . . 0.0 110.947 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 162.02 43.7 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.684 2.256 . . . . 0.0 112.324 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.672 HD12 ' N ' ' A' ' 100' ' ' ILE . 3.0 mp -107.3 113.16 42.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.136 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.419 ' O ' HG11 ' A' ' 19' ' ' VAL . 14.0 tp -84.99 129.44 34.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.625 HG13 ' O ' ' A' ' 102' ' ' VAL . 11.2 p -78.37 67.3 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.092 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 21.4 tptt -130.84 138.67 49.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.95 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 13.5 tm-20 -62.4 150.27 40.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.934 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 78.6 p -161.5 134.04 6.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.84 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -120.6 179.29 16.42 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.467 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.72 144.71 55.09 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.668 2.245 . . . . 0.0 112.344 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 14.6 m -132.37 105.96 7.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.868 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 47.1 t -51.56 138.16 23.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.89 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.499 -179.992 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.261 0 N-CA-C 112.438 -0.265 . . . . 0.0 112.438 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.435 ' O ' ' C ' ' A' ' 3' ' ' SER . 1.3 t -155.65 174.05 15.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.814 0.34 . . . . 0.0 110.896 -179.771 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 2' ' ' SER . 47.7 m -35.5 152.68 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.853 -179.802 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 133.79 -89.13 0.25 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.512 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 79.3 p -57.55 171.46 0.44 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.888 0.375 . . . . 0.0 110.856 -179.72 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.0 p -92.62 -175.42 3.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.85 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -102.82 -47.25 1.39 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.477 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.529 HG22 ' N ' ' A' ' 9' ' ' SER . 87.8 m -92.05 159.64 15.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.79 0.328 . . . . 0.0 111.142 -179.867 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.529 ' N ' HG22 ' A' ' 8' ' ' THR . 1.8 m -80.93 146.55 59.64 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.605 0.717 . . . . 0.0 110.85 -179.846 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 169.96 17.7 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.669 2.246 . . . . 0.0 112.338 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.59 ' HG2' HG23 ' A' ' 82' ' ' VAL . 53.4 Cg_endo -69.76 124.83 11.47 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.653 2.235 . . . . 0.0 112.345 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 82.4 p -105.53 167.15 9.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.145 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 38.3 mt 57.88 49.42 11.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.924 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.526 HD13 ' C ' ' A' ' 14' ' ' LEU . 2.9 tm? -81.16 109.04 15.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.902 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.485 ' CG2' ' N ' ' A' ' 16' ' ' VAL . 4.4 m -141.29 157.32 45.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.153 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.614 HG22 ' SD ' ' A' ' 26' ' ' MET . 16.6 t -74.89 133.58 31.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.158 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.561 ' HB3' HG22 ' A' ' 25' ' ' THR . 9.3 t70 -88.55 -52.48 5.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.461 ' O ' HG23 ' A' ' 19' ' ' VAL . 1.2 t -139.93 171.7 13.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.845 -179.757 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.782 HG12 ' O ' ' A' ' 103' ' ' LYS . 53.2 t -157.95 127.83 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.113 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.589 ' O ' HG23 ' A' ' 102' ' ' VAL . 3.4 m -140.01 150.1 44.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.154 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -58.63 -11.44 3.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.883 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 14.8 p -100.61 -50.61 3.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.129 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.503 HG22 ' HA ' ' A' ' 70' ' ' THR . 18.4 p -143.87 167.09 23.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.146 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.834 ' O ' HG23 ' A' ' 68' ' ' THR . 34.2 m -123.74 151.54 28.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.138 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.561 HG22 ' HB3' ' A' ' 17' ' ' ASP . 85.2 m -121.6 141.95 50.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.134 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.614 ' SD ' HG22 ' A' ' 16' ' ' VAL . 88.4 mmm -131.89 143.63 50.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 4.7 ptm180 -132.44 155.51 48.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.827 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 43.2 p90 -164.03 159.87 21.11 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.475 ' NE ' ' HA ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -101.32 145.73 30.95 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.616 0.722 . . . . 0.0 110.855 -179.936 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 169.99 17.68 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.653 2.235 . . . . 0.0 112.357 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.428 ' O ' ' C ' ' A' ' 32' ' ' ASP . 53.7 Cg_endo -69.71 126.0 12.83 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.678 2.252 . . . . 0.0 112.347 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.428 ' C ' ' O ' ' A' ' 31' ' ' PRO . 16.0 t70 -35.9 -37.64 0.11 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.853 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 59.7 t-80 -146.26 155.78 42.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.462 HD12 ' HB2' ' A' ' 39' ' ' LEU . 39.6 mm -95.52 103.86 15.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.176 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.45 ' C ' ' O ' ' A' ' 34' ' ' ILE . . . -34.32 -81.36 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.473 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -160.68 170.89 19.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.753 0.311 . . . . 0.0 111.108 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.733 ' CB ' ' HB3' ' A' ' 87' ' ' ALA . . . 58.82 25.05 13.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.103 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 58.87 174.33 0.56 Allowed Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.506 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.47 HD21 ' CZ ' ' A' ' 42' ' ' TYR . 6.3 tp -108.88 123.4 49.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.828 0.347 . . . . 0.0 110.957 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.447 ' O ' ' C ' ' A' ' 41' ' ' GLY . 3.6 m-20 -98.85 94.53 6.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.872 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.447 ' C ' ' O ' ' A' ' 40' ' ' ASP . . . 34.25 -147.51 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.515 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.47 ' CZ ' HD21 ' A' ' 39' ' ' LEU . 1.2 m-85 -150.79 177.39 10.14 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.959 0.409 . . . . 0.0 110.886 -179.77 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 74.8 t -130.99 130.14 63.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.124 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.3 tt -128.6 132.28 48.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.973 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -133.17 177.47 7.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.904 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 23.6 p90 -153.78 128.4 9.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.401 ' HB2' ' CD2' ' A' ' 54' ' ' TRP . 41.0 t -104.63 105.73 15.94 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.904 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.486 ' HA ' HG22 ' A' ' 78' ' ' ILE . 4.1 t80 -54.01 174.73 0.05 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.845 -179.849 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -94.62 16.86 14.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.925 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -140.39 30.45 2.32 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.497 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 9.2 p -149.76 164.29 35.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.778 0.323 . . . . 0.0 111.148 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -115.62 18.08 15.98 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.896 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -135.78 155.37 50.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.819 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.606 ' CD1' ' NH2' ' A' ' 81' ' ' ARG . 85.4 m95 -88.75 128.84 35.63 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.946 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 24.5 mt -90.22 128.37 42.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.109 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 77.4 t -72.06 115.3 12.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.152 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -80.56 -57.78 3.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.114 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.436 ' HB3' ' CE1' ' A' ' 67' ' ' PHE . 9.2 p-10 -95.83 114.26 25.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 4.0 tmtm? -56.19 -47.33 78.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.889 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -110.39 158.62 18.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.833 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 18.5 mt -46.97 144.39 2.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.934 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 16.7 mt -91.7 132.85 35.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.107 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -94.48 -36.99 11.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 5.0 pttt -84.98 146.69 27.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.849 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 39.0 p -75.84 -3.91 37.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.115 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 19.0 ttmt -114.5 137.83 51.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.866 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.436 ' CE1' ' HB3' ' A' ' 58' ' ' ASN . 46.2 t80 -141.23 156.55 45.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.895 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.834 HG23 ' O ' ' A' ' 24' ' ' VAL . 41.0 m -144.97 118.25 8.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.142 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.474 HD12 ' CG2' ' A' ' 24' ' ' VAL . 16.7 mt -70.6 147.4 11.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.131 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.503 ' HA ' HG22 ' A' ' 23' ' ' THR . 28.7 p -121.4 141.22 51.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.132 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 80.28 70.24 1.35 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.51 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 14.0 mt -131.34 132.97 23.94 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.597 0.713 . . . . 0.0 110.903 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 128.32 15.89 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.68 2.254 . . . . 0.0 112.385 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 18.0 m -54.45 142.72 26.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.144 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 23.4 t70 61.45 50.48 4.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.822 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.438 ' C ' HD12 ' A' ' 101' ' ' LEU . . . -127.88 135.45 50.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.108 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 78.9 mttt -92.17 129.57 38.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.935 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.486 HG22 ' HA ' ' A' ' 48' ' ' PHE . 2.8 pp -141.82 154.96 19.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.13 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.569 ' CE1' ' HB3' ' A' ' 99' ' ' PRO . 40.4 m-85 -103.81 143.49 32.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.862 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 57.9 t -125.85 129.52 72.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.143 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.606 ' NH2' ' CD1' ' A' ' 54' ' ' TRP . 30.6 ptt180 -140.23 130.86 25.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.864 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.59 HG23 ' HG2' ' A' ' 11' ' ' PRO . 33.1 m -120.14 152.03 22.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.116 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 28.7 pttt -150.71 159.32 44.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -98.37 129.78 45.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.112 179.781 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 89.7 t -119.92 120.92 64.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.16 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.567 ' N ' ' ND2' ' A' ' 86' ' ' ASN . 0.0 OUTLIER -128.29 176.19 7.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.733 ' HB3' ' CB ' ' A' ' 37' ' ' ALA . . . -44.94 -52.14 9.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.108 179.846 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -49.24 -41.5 37.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.083 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 162.04 -144.06 9.37 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.521 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -118.52 162.82 17.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.773 0.32 . . . . 0.0 111.061 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 2.2 m -105.29 159.01 16.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.849 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -59.39 143.5 85.48 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.633 0.73 . . . . 0.0 110.877 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.83 152.79 69.03 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.691 2.261 . . . . 0.0 112.36 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 5.5 tmtm? -116.5 113.15 22.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.922 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -94.58 115.27 27.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.905 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' TYR . . . . . 0.5 ' CD1' ' N ' ' A' ' 97' ' ' SER . 37.5 t80 -57.33 167.45 0.95 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.894 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' SER . . . . . 0.5 ' N ' ' CD1' ' A' ' 96' ' ' TYR . 25.8 t -63.37 -72.64 0.13 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.819 -179.847 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 73.1 mt-30 -109.58 153.12 43.05 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.591 0.71 . . . . 0.0 110.935 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.569 ' HB3' ' CE1' ' A' ' 79' ' ' PHE . 53.8 Cg_endo -69.82 127.78 15.03 Favored 'Trans proline' 0 N--CA 1.465 -0.168 0 C-N-CA 122.687 2.258 . . . . 0.0 112.369 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.77 HD12 ' H ' ' A' ' 100' ' ' ILE . 4.4 mp -68.98 131.75 33.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.09 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.438 HD12 ' C ' ' A' ' 76' ' ' ALA . 12.2 tp -108.03 95.7 5.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.931 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.589 HG23 ' O ' ' A' ' 20' ' ' THR . 4.7 p -41.6 102.61 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.143 179.804 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 0.782 ' O ' HG12 ' A' ' 19' ' ' VAL . 26.6 tptp -142.97 154.1 43.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.41 ' N ' ' HG3' ' A' ' 103' ' ' LYS . 4.0 tm-20 -91.71 151.35 20.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.857 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 9.8 m -169.24 112.81 0.53 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.835 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -63.83 164.42 31.37 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.503 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 112.9 3.21 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.662 2.241 . . . . 0.0 112.327 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 15.8 t -90.95 119.39 31.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.862 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 96.3 p -107.91 164.75 12.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.883 -179.788 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.46 -179.997 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 95.0 p -114.04 125.36 53.9 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.856 0.36 . . . . 0.0 110.853 -179.74 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 73.0 p -46.56 -51.01 16.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.856 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 125.05 88.33 0.75 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.492 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.2 m -136.77 165.32 26.2 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.872 0.368 . . . . 0.0 110.865 -179.722 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 87.1 p -148.82 140.84 23.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.84 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.467 ' HA3' ' HB2' ' A' ' 36' ' ' ALA . . . -77.63 1.59 66.36 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.526 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -111.34 148.9 31.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.793 0.33 . . . . 0.0 111.159 -179.86 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.3 m -78.26 149.9 76.51 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.684 0.754 . . . . 0.0 110.858 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 168.08 22.64 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.668 2.246 . . . . 0.0 112.319 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 136.15 32.28 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.686 2.258 . . . . 0.0 112.341 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 41.2 p -127.18 169.05 13.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.096 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 28.4 mt 61.63 50.95 4.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.893 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.505 HD22 ' N ' ' A' ' 15' ' ' THR . 1.9 tm? -92.85 117.48 30.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.9 179.853 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.505 ' N ' HD22 ' A' ' 14' ' ' LEU . 4.4 m -148.08 153.28 38.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.171 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.665 HG22 ' SD ' ' A' ' 26' ' ' MET . 5.9 t -81.62 105.41 11.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.124 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -61.24 -65.98 0.61 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.502 ' O ' HG23 ' A' ' 19' ' ' VAL . 2.0 m -123.47 174.89 7.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.857 -179.778 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.502 HG23 ' O ' ' A' ' 18' ' ' SER . 39.0 t -158.35 129.08 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.156 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -127.64 151.24 49.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.146 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 15.7 p-10 -65.93 -5.34 9.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.833 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.508 ' O ' HG23 ' A' ' 23' ' ' THR . 12.8 p -110.43 -29.31 8.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.129 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.581 HG22 ' HA ' ' A' ' 70' ' ' THR . 21.9 p -158.84 167.89 28.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.123 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.932 ' O ' HG23 ' A' ' 68' ' ' THR . 20.1 m -118.85 165.57 14.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.117 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 89.8 m -133.91 117.51 16.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.148 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.665 ' SD ' HG22 ' A' ' 16' ' ' VAL . 81.3 mmm -115.71 118.19 32.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.862 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.402 ' HD3' ' C ' ' A' ' 27' ' ' ARG . 0.0 OUTLIER -109.36 154.22 22.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.847 -179.943 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 40.6 p90 -158.27 170.08 23.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 25.1 mtp180 -121.68 161.43 41.87 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.594 0.711 . . . . 0.0 110.88 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 165.67 30.1 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.684 2.256 . . . . 0.0 112.35 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 175.29 8.31 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.668 2.245 . . . . 0.0 112.331 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -48.09 -40.15 22.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.908 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 5.0 t60 -173.54 156.21 2.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.879 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 26.3 mm -105.11 131.37 54.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.113 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -148.15 -42.47 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.46 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.467 ' HB2' ' HA3' ' A' ' 7' ' ' GLY . . . -64.21 99.87 0.3 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.784 0.326 . . . . 0.0 111.082 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . 40.87 33.88 0.24 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.123 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 67.78 -161.36 49.22 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.488 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.801 HD12 ' OD1' ' A' ' 86' ' ' ASN . 4.4 tp -133.69 137.51 45.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.809 0.337 . . . . 0.0 110.916 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -124.39 96.15 4.8 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 179.801 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.44 ' C ' ' CD1' ' A' ' 42' ' ' TYR . . . 44.9 -168.36 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.493 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.592 ' N ' ' CD1' ' A' ' 42' ' ' TYR . 0.1 OUTLIER -139.69 171.64 13.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.938 0.399 . . . . 0.0 110.892 -179.777 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.469 HG21 HG21 ' A' ' 85' ' ' VAL . 94.3 t -114.35 133.46 60.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.137 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.424 ' O ' ' HB3' ' A' ' 57' ' ' ALA . 6.0 tt -136.2 134.17 37.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.919 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -141.93 163.62 32.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 27.4 p90 -136.11 137.43 41.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.509 ' HB2' ' CD2' ' A' ' 54' ' ' TRP . 46.8 t -108.28 121.8 45.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.864 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -83.92 144.1 29.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.905 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -60.09 106.52 0.52 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.863 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 107.56 40.4 1.76 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.501 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 26.2 p -124.7 171.51 10.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.78 0.324 . . . . 0.0 111.136 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 69.7 mm-40 -104.82 -36.58 7.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.911 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -135.64 144.06 45.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.86 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.52 ' CH2' ' HD2' ' A' ' 81' ' ' ARG . 54.6 m95 -52.23 151.76 3.71 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.96 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 5.2 mp -100.03 112.24 32.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.147 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 91.8 t -53.38 116.91 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.144 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.424 ' HB3' ' O ' ' A' ' 44' ' ' LEU . . . -81.6 -63.38 1.41 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.111 179.847 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 9.3 p-10 -76.85 157.46 31.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.899 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 9.7 mmtp -79.93 -63.05 1.5 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.923 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.403 ' C ' ' HG ' ' A' ' 61' ' ' LEU . 0.8 OUTLIER -114.36 -66.91 1.04 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 179.874 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.403 ' HG ' ' C ' ' A' ' 60' ' ' ASP . 12.9 mt -149.86 168.55 23.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.887 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.535 HG22 ' O ' ' A' ' 64' ' ' LYS . 24.2 mt -111.79 103.8 16.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.155 179.826 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -56.12 -62.91 1.39 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.535 ' O ' HG22 ' A' ' 62' ' ' ILE . 2.5 mmpt? -74.05 161.77 29.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.878 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -81.18 13.1 3.0 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.13 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 10.5 mmtm -122.86 160.28 26.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.88 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 22.9 t80 -163.03 145.7 10.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.932 HG23 ' O ' ' A' ' 24' ' ' VAL . 61.5 m -132.47 132.58 42.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.126 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.496 ' O ' HG22 ' A' ' 23' ' ' THR . 65.0 mt -86.41 134.15 28.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.139 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.581 ' HA ' HG22 ' A' ' 23' ' ' THR . 65.5 p -111.52 129.33 56.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.141 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 94.83 69.62 1.07 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.493 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 15.2 mt -130.11 126.45 22.34 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.532 0.682 . . . . 0.0 110.964 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.496 ' O ' ' HB3' ' A' ' 76' ' ' ALA . 53.3 Cg_endo -69.78 130.99 20.28 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.696 2.264 . . . . 0.0 112.281 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.462 HG22 ' N ' ' A' ' 75' ' ' ASP . 57.7 m -49.46 156.81 0.58 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.106 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.462 ' N ' HG22 ' A' ' 74' ' ' THR . 0.9 OUTLIER 46.63 41.38 9.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.831 179.897 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.548 ' O ' HG12 ' A' ' 102' ' ' VAL . . . -120.38 127.33 52.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.09 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 66.9 mttt -93.49 133.51 36.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.89 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 17.3 pt -137.4 156.45 33.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.154 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -98.04 154.36 17.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.498 HG11 ' HE2' ' A' ' 26' ' ' MET . 73.2 t -136.01 136.18 49.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.14 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.52 ' HD2' ' CH2' ' A' ' 54' ' ' TRP . 5.4 ptm180 -153.44 133.5 13.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.876 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 10.0 m -125.14 164.17 24.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.091 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 8.6 pttm -154.42 171.81 18.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.865 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -105.16 101.76 11.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.144 179.782 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.469 HG21 HG21 ' A' ' 43' ' ' VAL . 40.7 t -104.39 108.91 25.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.155 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.801 ' OD1' HD12 ' A' ' 39' ' ' LEU . 0.0 OUTLIER -125.51 -179.59 4.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -51.12 -42.18 60.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.1 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -57.97 -48.13 80.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.113 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 171.27 -133.46 2.76 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.502 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -136.62 155.94 49.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.786 0.327 . . . . 0.0 111.072 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.3 t -109.28 157.93 18.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -52.04 142.7 26.12 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.671 0.748 . . . . 0.0 110.839 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 153.85 68.61 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.71 2.274 . . . . 0.0 112.336 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 4.9 tppt? -104.01 99.27 9.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.937 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 63.5 m-85 -81.82 117.31 22.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.927 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' TYR . . . . . 0.424 ' O ' ' C ' ' A' ' 97' ' ' SER . 1.2 t80 -71.32 122.23 19.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.91 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' SER . . . . . 0.424 ' C ' ' O ' ' A' ' 96' ' ' TYR . 32.8 m -36.4 -70.15 0.1 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.829 -179.824 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -102.81 154.16 37.71 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.562 0.696 . . . . 0.0 110.907 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 162.63 41.33 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.694 2.263 . . . . 0.0 112.345 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.754 HD12 ' N ' ' A' ' 100' ' ' ILE . 1.9 mp -101.85 134.6 41.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.116 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 19.8 tp -100.97 141.49 33.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.911 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.548 HG12 ' O ' ' A' ' 76' ' ' ALA . 5.5 p -100.1 76.62 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.099 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 10.2 tptm -133.8 139.11 46.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.936 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 10.1 tm-20 -75.34 163.0 27.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.885 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 29.4 t -98.56 -69.33 0.76 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.801 -179.76 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 141.73 -92.61 0.18 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.49 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 160.21 50.55 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.691 2.261 . . . . 0.0 112.335 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 12.1 t 65.81 36.61 6.06 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.849 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 1.4 t -94.54 31.76 1.71 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.859 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.481 -179.971 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 61.7 m -148.13 116.49 6.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.872 0.368 . . . . 0.0 110.861 -179.688 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 76.0 p -50.69 117.89 2.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.874 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -76.55 128.06 9.03 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.508 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 72.6 m -93.92 108.79 20.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.871 0.367 . . . . 0.0 110.846 -179.693 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 79.7 p -46.59 109.48 0.2 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.829 -179.806 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -89.26 44.1 3.07 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.486 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -133.49 164.0 28.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.786 0.326 . . . . 0.0 111.135 -179.85 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -92.5 143.75 27.72 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.623 0.725 . . . . 0.0 110.883 -179.863 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 168.68 20.83 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.669 2.246 . . . . 0.0 112.331 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 122.69 9.36 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.645 2.23 . . . . 0.0 112.336 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 64.0 p -110.69 -175.42 2.71 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.154 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 33.5 mt 50.72 40.47 24.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.683 HD13 ' C ' ' A' ' 14' ' ' LEU . 3.0 tm? -86.92 109.81 19.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.913 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.46 ' CG2' ' N ' ' A' ' 16' ' ' VAL . 4.5 m -142.87 155.84 44.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.17 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.512 HG23 ' CE2' ' A' ' 96' ' ' TYR . 5.3 t -77.13 94.73 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.131 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -51.67 -62.15 1.8 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 4.7 m -141.04 164.63 29.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.467 HG13 HG12 ' A' ' 24' ' ' VAL . 46.6 t -144.32 133.43 18.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.141 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.456 ' O ' ' N ' ' A' ' 22' ' ' THR . 1.3 m -128.28 131.14 48.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.114 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -38.67 -28.0 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.866 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.456 ' N ' ' O ' ' A' ' 20' ' ' THR . 1.2 p -88.02 -57.33 2.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.143 -179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 22.3 p -133.47 158.09 43.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.161 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.467 HG12 HG13 ' A' ' 19' ' ' VAL . 31.8 m -111.59 147.97 15.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.124 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.442 ' CG2' ' HE2' ' A' ' 66' ' ' LYS . 13.7 m -113.67 142.26 46.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.137 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 96.4 mmm -133.68 146.15 50.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.936 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 7.7 ptt180 -129.43 152.53 48.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.847 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.475 ' HH2' HG21 ' A' ' 62' ' ' ILE . 16.8 p90 -160.04 171.09 19.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.948 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 22.9 mtt180 -132.72 154.21 81.37 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.596 0.712 . . . . 0.0 110.847 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.84 169.95 17.82 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.669 2.246 . . . . 0.0 112.326 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 153.95 68.42 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.729 2.286 . . . . 0.0 112.346 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.493 ' O ' ' CG ' ' A' ' 33' ' ' HIS . 19.3 t0 -40.33 -41.72 1.41 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.825 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.507 ' C ' HD13 ' A' ' 34' ' ' ILE . 55.4 m-70 -166.49 171.46 11.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.879 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.507 HD13 ' C ' ' A' ' 33' ' ' HIS . 3.1 mm -107.19 137.23 39.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.105 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.419 ' O ' ' C ' ' A' ' 36' ' ' ALA . . . -81.25 64.12 4.21 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.485 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.419 ' C ' ' O ' ' A' ' 35' ' ' GLY . . . 35.55 38.84 0.05 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.798 0.332 . . . . 0.0 111.135 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -116.29 -40.41 3.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.087 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 103.55 109.51 3.37 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.478 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.421 HD21 ' CZ ' ' A' ' 42' ' ' TYR . 6.4 tp -82.33 128.41 34.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.8 0.333 . . . . 0.0 110.889 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.425 ' O ' ' C ' ' A' ' 41' ' ' GLY . 15.3 m-20 -104.93 95.36 5.81 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.87 179.822 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.444 ' C ' ' CG ' ' A' ' 42' ' ' TYR . . . 35.35 -140.83 0.16 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.494 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.444 ' CG ' ' C ' ' A' ' 41' ' ' GLY . 1.1 m-85 -157.09 168.49 27.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.89 0.376 . . . . 0.0 110.949 -179.824 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 91.1 t -127.51 130.27 70.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.113 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.508 HD12 ' CG1' ' A' ' 82' ' ' VAL . 5.3 tt -124.14 141.69 51.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.872 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.449 ' N ' HD23 ' A' ' 44' ' ' LEU . 78.6 mt-10 -145.76 155.13 42.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 13.5 p90 -130.54 129.25 42.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.901 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.497 ' HB2' ' CD2' ' A' ' 54' ' ' TRP . 41.6 t -101.94 100.47 10.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.911 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 5.9 t80 -55.76 164.7 1.05 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -75.68 -31.62 59.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.926 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -99.41 42.55 1.98 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.47 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 2.2 p -142.45 165.96 25.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.754 0.311 . . . . 0.0 111.125 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -108.08 -38.49 5.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.904 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -112.31 151.15 30.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.894 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.497 ' CD2' ' HB2' ' A' ' 47' ' ' CYS . 71.8 m95 -59.64 151.46 24.74 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 28.5 mt -106.35 98.21 6.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.143 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 76.8 t -40.42 122.35 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.126 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -92.14 -50.12 5.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.151 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 16.3 p-10 -87.75 162.64 16.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 25.6 tptp -84.75 -56.25 3.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.901 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -123.21 -65.09 1.11 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.84 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 85.4 mt -153.33 154.93 35.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.94 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.475 HG21 ' HH2' ' A' ' 28' ' ' TRP . 18.2 mt -102.86 124.84 57.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.092 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 34.2 m-20 -87.05 -46.81 9.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.866 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 26.8 mtpp -66.38 160.57 24.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.9 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -87.31 2.22 50.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.151 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.442 ' HE2' ' CG2' ' A' ' 25' ' ' THR . 12.6 mtpt -129.12 152.24 48.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.907 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 32.5 t80 -143.47 149.67 37.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.909 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 97.1 m -133.14 118.43 18.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.149 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 58.0 mt -74.5 132.32 33.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.123 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 35.7 p -105.55 134.91 47.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.126 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 86.03 75.61 1.25 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.474 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 18.1 mt -137.05 127.53 16.06 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.576 0.703 . . . . 0.0 110.944 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 131.1 20.49 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.693 2.262 . . . . 0.0 112.37 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.525 HG22 ' OD2' ' A' ' 75' ' ' ASP . 50.2 m -52.94 144.18 15.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.141 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.525 ' OD2' HG22 ' A' ' 74' ' ' THR . 16.0 m-20 61.58 45.13 8.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.842 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.582 ' O ' HG12 ' A' ' 102' ' ' VAL . . . -123.56 142.16 51.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.099 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 79.1 mttt -104.36 136.16 44.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.921 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 33.0 pt -143.05 156.67 17.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.148 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 86.8 m-85 -103.68 122.01 44.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.901 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.502 HG13 HD21 ' A' ' 44' ' ' LEU . 83.1 t -108.04 138.35 35.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.095 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.44 ' HG2' ' CZ3' ' A' ' 54' ' ' TRP . 25.1 ptt180 -151.42 138.04 18.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.836 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.508 ' CG1' HD12 ' A' ' 44' ' ' LEU . 4.8 m -116.42 147.32 19.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.084 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 4.3 mtmm -132.84 140.91 48.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.884 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -88.3 110.57 20.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.105 179.81 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 77.3 t -99.66 129.88 49.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.12 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.461 ' N ' ' ND2' ' A' ' 86' ' ' ASN . 0.3 OUTLIER -132.21 174.47 10.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.834 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.56 -41.33 80.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.117 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.15 -52.72 62.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.121 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -175.99 -126.91 0.99 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.494 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -145.42 153.77 41.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.787 0.327 . . . . 0.0 111.099 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 7.5 t -101.03 169.16 9.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.859 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -59.1 144.03 83.42 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.688 0.756 . . . . 0.0 110.88 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 146.57 60.41 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.669 2.246 . . . . 0.0 112.349 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 34.0 tptt -95.95 104.13 16.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.887 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 50.3 m-85 -88.02 122.45 31.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.917 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' TYR . . . . . 0.512 ' CE2' HG23 ' A' ' 16' ' ' VAL . 2.0 t80 -71.88 132.57 44.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.878 -179.888 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 3.3 t -46.14 -70.49 0.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.864 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -103.03 147.49 34.2 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.613 0.721 . . . . 0.0 110.872 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 148.84 65.73 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.677 2.251 . . . . 0.0 112.344 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.466 HD12 ' H ' ' A' ' 100' ' ' ILE . 5.0 mp -86.11 142.38 13.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.129 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.48 ' O ' ' N ' ' A' ' 103' ' ' LYS . 45.2 tp -114.25 102.55 10.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.906 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.59 HG22 ' O ' ' A' ' 102' ' ' VAL . 1.8 p -55.68 82.84 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.132 179.85 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 0.48 ' N ' ' O ' ' A' ' 101' ' ' LEU . 12.8 tptp -142.29 135.01 28.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.9 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -72.91 158.07 36.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.931 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 80.1 p -70.58 -26.89 63.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.837 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 91.87 -158.04 24.75 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.467 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -5.46 16.24 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.674 2.25 . . . . 0.0 112.355 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 12.6 t -40.76 137.24 1.22 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.82 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 50.8 m -53.74 120.24 5.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.85 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.486 -179.98 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.7 p -116.92 74.53 0.92 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.861 0.362 . . . . 0.0 110.87 -179.759 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 4' ' ' GLY . 2.6 m -175.0 162.07 3.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.87 -179.778 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.408 ' C ' ' O ' ' A' ' 3' ' ' SER . . . -35.51 138.19 0.3 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.534 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.441 ' O ' ' C ' ' A' ' 6' ' ' SER . 60.4 p -79.46 52.47 1.38 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.844 0.354 . . . . 0.0 110.883 -179.753 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.441 ' C ' ' O ' ' A' ' 5' ' ' SER . 46.9 p 34.75 46.28 0.19 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.854 -179.779 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 67.99 -75.04 0.25 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.49 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.611 HG22 ' N ' ' A' ' 9' ' ' SER . 56.9 m -94.23 164.97 12.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.782 0.325 . . . . 0.0 111.143 -179.87 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.611 ' N ' HG22 ' A' ' 8' ' ' THR . 1.9 m -88.32 150.01 46.0 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.621 0.724 . . . . 0.0 110.866 -179.85 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 169.48 18.85 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.655 2.236 . . . . 0.0 112.315 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.556 ' HD3' ' HB2' ' A' ' 84' ' ' ALA . 54.5 Cg_endo -69.72 148.32 65.06 Favored 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.66 2.24 . . . . 0.0 112.374 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 53.7 p -134.32 177.36 7.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.118 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.9 mt 55.51 53.3 9.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.967 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.438 HD12 ' HD1' ' A' ' 96' ' ' TYR . 2.0 tm? -83.59 118.78 24.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.948 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.432 HG22 ' N ' ' A' ' 16' ' ' VAL . 41.0 m -142.82 154.98 44.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.156 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.432 ' N ' HG22 ' A' ' 15' ' ' THR . 3.6 t -89.0 112.79 24.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.116 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -70.16 -49.67 48.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.842 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.2 t -159.15 153.52 24.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.862 -179.719 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 19.2 t -142.5 130.08 19.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.12 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.74 HG22 ' H ' ' A' ' 21' ' ' ASP . 0.6 OUTLIER -108.14 -178.2 3.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.116 -179.935 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.74 ' H ' HG22 ' A' ' 20' ' ' THR . 4.2 m-20 -87.97 -5.22 58.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -125.13 -21.21 4.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.147 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.473 HG22 ' HA ' ' A' ' 70' ' ' THR . 36.0 p -145.39 166.1 26.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.1 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.712 ' CG2' HD12 ' A' ' 69' ' ' ILE . 15.9 m -134.09 135.62 54.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.114 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.7 m -104.6 130.91 52.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.152 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.436 ' CE ' HG11 ' A' ' 80' ' ' VAL . 97.9 mmm -129.78 125.23 35.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.9 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.41 ' HD3' ' C ' ' A' ' 27' ' ' ARG . 0.1 OUTLIER -117.19 146.82 42.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.85 -179.92 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.436 ' HB3' HD23 ' A' ' 14' ' ' LEU . 41.5 p90 -140.42 177.7 7.82 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.907 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 5.1 mmm180 -120.3 150.38 51.54 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.602 0.715 . . . . 0.0 110.885 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 162.62 41.37 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.716 2.278 . . . . 0.0 112.333 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.521 ' HG2' HD13 ' A' ' 34' ' ' ILE . 54.2 Cg_endo -69.71 142.23 47.59 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.719 2.279 . . . . 0.0 112.339 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -42.31 -49.41 5.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.846 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 56.7 t-80 -136.35 147.73 47.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.828 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.521 HD13 ' HG2' ' A' ' 31' ' ' PRO . 20.6 mm -94.32 109.3 21.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.11 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -48.01 146.91 4.74 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.486 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -39.37 -42.63 1.09 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.841 0.353 . . . . 0.0 111.113 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.928 ' HB1' ' HB3' ' A' ' 87' ' ' ALA . . . -54.04 -47.11 71.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.057 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 108.25 137.17 8.1 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.518 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 7.4 tp -79.89 132.91 36.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.859 0.361 . . . . 0.0 110.926 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -115.87 97.91 6.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.434 ' C ' ' CG ' ' A' ' 42' ' ' TYR . . . 41.15 -145.87 0.49 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.507 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.434 ' CG ' ' C ' ' A' ' 41' ' ' GLY . 0.2 OUTLIER -155.61 173.48 16.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.92 0.391 . . . . 0.0 110.957 -179.827 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 59.5 t -127.62 131.44 70.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.127 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.748 HD12 ' CG1' ' A' ' 82' ' ' VAL . 4.2 tp -111.47 135.52 51.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.862 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 55.0 mt-10 -144.72 132.4 21.1 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.865 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 20.2 p90 -124.44 131.48 53.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.923 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 1.2 t -96.45 122.56 39.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.884 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -86.42 137.29 32.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.466 ' CD ' ' N ' ' A' ' 50' ' ' GLY . 2.8 pp20? -54.77 -40.0 68.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.868 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.466 ' N ' ' CD ' ' A' ' 49' ' ' GLU . . . -69.21 -18.76 73.44 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.532 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 78.8 p -107.39 179.38 4.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.733 0.302 . . . . 0.0 111.115 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -120.77 -35.91 3.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.899 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -89.84 150.35 22.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.886 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 63.0 m95 -71.69 138.33 48.48 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 5.4 mp -101.95 142.01 17.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.126 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 1.6 p -93.36 150.15 4.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.153 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -107.89 -40.04 5.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.114 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 16.9 p-10 -89.71 150.39 22.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.883 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.452 ' HG2' ' N ' ' A' ' 60' ' ' ASP . 0.0 OUTLIER -82.87 -32.98 27.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.916 179.899 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.452 ' N ' ' HG2' ' A' ' 59' ' ' LYS . 2.0 t70 -133.48 -70.99 0.52 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.822 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 37.3 mt -155.27 162.16 40.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.917 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.535 HG22 ' H ' ' A' ' 64' ' ' LYS . 20.9 mt -105.6 113.07 41.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.09 179.848 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -89.87 37.35 0.88 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.853 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.535 ' H ' HG22 ' A' ' 62' ' ' ILE . 0.0 OUTLIER -155.27 139.8 16.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.871 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 5.0 p -67.05 -3.53 7.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.129 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.7 mmmm -121.44 166.59 13.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.536 ' CD1' ' N ' ' A' ' 68' ' ' THR . 24.8 t80 -166.62 156.47 11.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.536 ' N ' ' CD1' ' A' ' 67' ' ' PHE . 31.4 m -144.08 128.32 17.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.151 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.712 HD12 ' CG2' ' A' ' 24' ' ' VAL . 17.9 mt -91.92 140.21 16.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.087 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.473 ' HA ' HG22 ' A' ' 23' ' ' THR . 73.1 p -119.64 137.21 54.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.176 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 94.11 61.31 1.09 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.482 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 36.6 mt -131.43 132.89 23.83 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.627 0.727 . . . . 0.0 110.89 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.659 ' O ' HG11 ' A' ' 102' ' ' VAL . 53.9 Cg_endo -69.79 146.04 58.81 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.642 2.228 . . . . 0.0 112.371 179.858 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.601 HG23 ' OD1' ' A' ' 21' ' ' ASP . 22.1 m -73.36 153.25 40.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.12 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 7.9 t70 57.84 37.7 27.03 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -115.99 149.57 38.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.075 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.593 ' HG2' HD22 ' A' ' 101' ' ' LEU . 31.5 mttt -107.99 135.39 49.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.887 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 32.9 pt -146.76 154.16 12.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.141 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -102.12 131.55 48.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.905 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.603 ' CG2' HD13 ' A' ' 100' ' ' ILE . 79.2 t -106.82 144.61 15.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.124 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 20.9 ptt180 -159.44 133.61 7.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.875 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.748 ' CG1' HD12 ' A' ' 44' ' ' LEU . 1.7 m -125.28 144.82 33.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.145 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -133.72 174.51 10.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.556 ' HB2' ' HD3' ' A' ' 11' ' ' PRO . . . -117.12 131.25 56.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.112 179.838 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 76.0 t -117.99 129.56 74.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.141 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.499 ' ND2' ' HB3' ' A' ' 88' ' ' ALA . 2.3 p-10 -145.49 179.03 7.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.873 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.928 ' HB3' ' HB1' ' A' ' 37' ' ' ALA . . . -49.38 -51.38 35.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.136 179.845 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.499 ' HB3' ' ND2' ' A' ' 86' ' ' ASN . . . -47.51 -52.29 17.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.067 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 170.15 -130.04 1.94 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.458 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -134.57 143.82 47.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.787 0.327 . . . . 0.0 111.092 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.7 t -101.32 152.78 20.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.845 -179.79 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -57.42 142.08 77.07 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.625 0.726 . . . . 0.0 110.889 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.5 ' HG2' ' CE1' ' A' ' 95' ' ' TYR . 53.9 Cg_endo -69.74 148.7 65.76 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.717 2.278 . . . . 0.0 112.342 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 2.9 tppt? -92.0 113.22 25.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.93 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' TYR . . . . . 0.5 ' CE1' ' HG2' ' A' ' 93' ' ' PRO . 58.4 m-85 -91.28 120.36 32.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.891 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' TYR . . . . . 0.438 ' HD1' HD12 ' A' ' 14' ' ' LEU . 27.9 t80 -68.01 166.59 15.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.911 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 67.9 p -62.9 -74.28 0.1 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.9 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -105.29 159.31 29.87 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.572 0.701 . . . . 0.0 110.946 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 147.72 63.59 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.734 2.289 . . . . 0.0 112.363 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.603 HD13 ' CG2' ' A' ' 80' ' ' VAL . 5.2 mp -88.59 129.46 39.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.11 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.593 HD22 ' HG2' ' A' ' 77' ' ' LYS . 0.1 OUTLIER -99.46 110.43 22.91 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.88 179.913 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.659 HG11 ' O ' ' A' ' 73' ' ' PRO . 7.3 p -59.45 82.38 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.166 179.806 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 0.424 ' N ' ' O ' ' A' ' 101' ' ' LEU . 14.0 tptp -143.42 146.57 33.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.947 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -80.03 149.16 30.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.891 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 10.6 t -175.02 109.63 0.11 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.886 -179.762 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -84.76 170.21 45.62 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.501 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 173.53 10.83 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.695 2.264 . . . . 0.0 112.379 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 11.7 t -119.59 136.62 54.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.86 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 34.0 m -105.08 90.92 3.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.863 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.452 -179.947 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 92.7 p -127.87 160.7 30.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.854 0.359 . . . . 0.0 110.846 -179.723 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 72.7 m -72.26 119.69 16.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.859 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -124.24 -57.85 0.18 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.505 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.9 m -66.68 -60.07 3.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.892 0.377 . . . . 0.0 110.849 -179.722 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.565 ' O ' ' HB3' ' A' ' 88' ' ' ALA . 12.3 t 68.25 28.54 6.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.872 -179.835 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 86.06 -61.62 4.47 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.487 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.521 HG22 ' N ' ' A' ' 9' ' ' SER . 46.1 m -100.46 159.92 14.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.789 0.328 . . . . 0.0 111.125 -179.839 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.521 ' N ' HG22 ' A' ' 8' ' ' THR . 17.7 m -78.83 148.86 73.2 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.684 0.754 . . . . 0.0 110.849 -179.86 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 168.79 20.55 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.647 2.232 . . . . 0.0 112.347 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 122.41 9.08 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.668 2.245 . . . . 0.0 112.319 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 79.5 p -106.53 -177.56 3.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.164 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.685 HD13 ' NH1' ' A' ' 29' ' ' ARG . 33.3 mt 49.39 49.63 19.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.919 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.477 HD13 ' C ' ' A' ' 14' ' ' LEU . 3.4 tm? -86.97 112.99 22.35 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.934 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 21.3 m -153.97 143.2 21.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.151 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.418 HG22 ' SD ' ' A' ' 26' ' ' MET . 2.8 t -64.48 146.76 12.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.103 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -106.52 -56.98 2.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.854 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 33.0 p -138.13 148.36 44.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.841 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 77.4 t -131.86 125.2 54.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.094 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.686 HG23 ' CD ' ' A' ' 104' ' ' GLU . 0.8 OUTLIER -132.19 128.0 37.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.137 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.54 ' HA ' HG22 ' A' ' 102' ' ' VAL . 2.7 p-10 -35.46 -33.19 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.858 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.456 ' N ' ' O ' ' A' ' 20' ' ' THR . 29.3 p -71.11 -54.1 12.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.141 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 20.6 p -152.27 162.48 41.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.139 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.419 ' CG2' HD12 ' A' ' 69' ' ' ILE . 34.5 m -104.35 164.85 3.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.149 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 68.6 m -134.78 122.42 22.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.12 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.685 ' HG3' HG11 ' A' ' 80' ' ' VAL . 79.7 mmm -112.66 130.25 56.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.856 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 4.8 ptm180 -115.09 149.48 37.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.862 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 26.1 p90 -163.37 174.32 12.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.924 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.685 ' NH1' HD13 ' A' ' 13' ' ' LEU . 31.2 mtt85 -129.25 156.68 77.97 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.587 0.708 . . . . 0.0 110.884 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 168.71 20.71 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.66 2.24 . . . . 0.0 112.358 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.409 ' HG2' HD13 ' A' ' 34' ' ' ILE . 53.9 Cg_endo -69.75 136.98 34.42 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.752 2.301 . . . . 0.0 112.322 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -39.46 -42.77 1.15 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.872 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 28.6 m170 -133.58 162.64 31.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.871 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.495 ' HA ' HG23 ' A' ' 8' ' ' THR . 3.2 mm -113.88 120.28 63.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.15 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -48.85 156.53 1.33 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.444 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -54.31 -41.88 69.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.81 0.338 . . . . 0.0 111.116 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -57.18 -26.53 60.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.113 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 105.58 -175.14 21.54 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.494 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.493 HD12 ' OD1' ' A' ' 86' ' ' ASN . 8.0 tp -133.61 135.56 44.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.784 0.326 . . . . 0.0 110.87 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.423 ' O ' ' C ' ' A' ' 41' ' ' GLY . 36.1 m-20 -121.39 96.67 5.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.84 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.423 ' C ' ' O ' ' A' ' 40' ' ' ASP . . . 36.54 -151.72 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.432 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -148.65 177.59 9.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.89 0.376 . . . . 0.0 110.967 -179.804 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.425 ' CG2' HG21 ' A' ' 85' ' ' VAL . 23.3 t -133.92 142.09 42.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.169 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.574 ' C ' HD23 ' A' ' 44' ' ' LEU . 7.7 tt -138.9 135.83 34.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.946 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.403 ' N ' HD23 ' A' ' 44' ' ' LEU . 5.8 mt-10 -138.01 158.07 45.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.856 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 8.0 p90 -137.38 133.5 34.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.926 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.451 ' HB2' ' CD2' ' A' ' 54' ' ' TRP . 1.2 t -103.2 127.98 50.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.874 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -87.27 141.78 28.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.915 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -62.02 -27.28 68.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.864 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -75.62 -18.17 79.85 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.449 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 66.4 p -122.34 144.12 49.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.75 0.309 . . . . 0.0 111.157 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -91.55 27.87 1.88 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -138.85 152.4 47.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.839 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.451 ' CD2' ' HB2' ' A' ' 47' ' ' CYS . 79.9 m95 -83.23 122.13 28.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.942 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 27.8 mt -90.2 101.8 12.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.118 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.459 HG12 ' O ' ' A' ' 58' ' ' ASN . 91.7 t -56.3 124.71 10.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.124 179.833 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -84.17 -54.27 4.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.128 179.813 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.459 ' O ' HG12 ' A' ' 56' ' ' VAL . 1.0 OUTLIER -74.85 149.04 39.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.883 -179.942 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.408 ' N ' ' OD1' ' A' ' 58' ' ' ASN . 24.2 mtpt -87.46 -65.57 1.0 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.929 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -102.55 -68.24 0.84 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.847 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 95.6 mt -155.35 159.58 40.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.91 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.645 HG22 ' H ' ' A' ' 64' ' ' LYS . 45.7 mt -103.64 126.8 58.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.137 179.832 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 43.3 t0 -108.06 38.01 2.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.87 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.645 ' H ' HG22 ' A' ' 62' ' ' ILE . 10.3 pttm -149.9 146.09 26.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.913 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 16.7 p -76.89 3.11 12.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.108 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 63.8 mttt -141.85 138.38 32.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.936 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.497 ' CD1' ' N ' ' A' ' 68' ' ' THR . 22.4 t80 -129.04 151.69 49.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.902 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.497 ' N ' ' CD1' ' A' ' 67' ' ' PHE . 64.7 m -134.15 117.53 16.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.158 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.419 HD12 ' CG2' ' A' ' 24' ' ' VAL . 15.6 mt -79.22 107.81 12.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.095 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 62.6 p -83.78 129.63 34.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.137 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 96.28 70.76 1.06 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.487 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 17.5 mt -133.85 126.06 18.61 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.633 0.73 . . . . 0.0 110.911 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 133.1 24.64 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.706 2.271 . . . . 0.0 112.322 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.492 HG22 ' CG ' ' A' ' 75' ' ' ASP . 88.2 m -58.7 143.01 48.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.135 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.492 ' CG ' HG22 ' A' ' 74' ' ' THR . 6.0 m-20 70.34 29.9 3.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.853 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.663 ' O ' HG12 ' A' ' 102' ' ' VAL . . . -113.79 141.27 47.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.09 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 26.6 mttm -108.12 136.46 47.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.923 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.405 ' C ' HD12 ' A' ' 78' ' ' ILE . 2.7 pp -141.87 159.12 20.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.117 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 54.3 m-85 -104.16 132.34 50.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.917 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.685 HG11 ' HG3' ' A' ' 26' ' ' MET . 74.9 t -112.01 132.22 61.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.125 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 34.6 ptt180 -146.45 128.13 15.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.847 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 34.0 m -125.97 152.63 33.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.161 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.8 167.94 22.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -93.38 120.36 33.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.073 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.425 HG21 ' CG2' ' A' ' 43' ' ' VAL . 45.6 t -107.7 120.95 59.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.121 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.523 ' N ' ' ND2' ' A' ' 86' ' ' ASN . 0.0 OUTLIER -139.75 177.43 7.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.889 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -54.55 -46.06 73.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.084 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.565 ' HB3' ' O ' ' A' ' 6' ' ' SER . . . -47.84 -34.41 8.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.132 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 151.47 -109.36 0.42 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.498 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -155.29 151.66 28.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.78 0.324 . . . . 0.0 111.136 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 19.6 m -101.89 158.02 16.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.874 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -50.48 143.06 14.38 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.686 0.755 . . . . 0.0 110.868 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 149.4 66.73 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.696 2.264 . . . . 0.0 112.363 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 20.1 tptp -101.52 120.18 39.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.925 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 -102.55 121.8 43.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.962 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 7.1 t80 -72.77 142.58 48.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.911 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 4.9 m -48.57 -73.24 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.863 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 11.3 mm100 -108.56 151.28 41.56 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.553 0.692 . . . . 0.0 110.946 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 149.22 66.56 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.677 2.251 . . . . 0.0 112.341 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.597 HD12 ' H ' ' A' ' 100' ' ' ILE . 3.7 mp -89.62 125.98 42.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.146 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.474 ' O ' ' N ' ' A' ' 103' ' ' LYS . 37.4 tp -97.85 101.89 13.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.912 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.663 HG12 ' O ' ' A' ' 76' ' ' ALA . 2.7 p -54.67 84.05 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.089 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 0.474 ' N ' ' O ' ' A' ' 101' ' ' LEU . 20.5 tptp -143.08 132.82 23.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.909 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.686 ' CD ' HG23 ' A' ' 20' ' ' THR . 3.1 tp10 -83.34 150.54 26.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.914 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' SER . . . . . 0.436 ' N ' ' HG3' ' A' ' 104' ' ' GLU . 11.2 p -76.18 -48.23 21.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.843 -179.786 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 129.97 -95.91 0.36 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.501 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 144.31 53.49 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.676 2.251 . . . . 0.0 112.298 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 70.6 m -99.55 -50.63 4.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.845 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 64.3 m -122.08 121.52 37.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.877 -179.795 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.511 -179.953 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.511 -0.236 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.4 m -82.02 139.25 34.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.872 0.368 . . . . 0.0 110.876 -179.749 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.2 t -113.72 98.95 7.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.854 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 115.75 148.63 9.29 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.475 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 83.9 p -63.0 157.51 21.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.927 0.394 . . . . 0.0 110.84 -179.752 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.9 p -95.27 15.02 20.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.907 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.704 ' HA3' ' HB2' ' A' ' 36' ' ' ALA . . . 82.5 -55.67 4.98 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.51 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -92.01 150.57 20.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.854 0.359 . . . . 0.0 111.098 -179.863 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.5 t -78.69 149.3 74.33 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.701 0.762 . . . . 0.0 110.884 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.76 169.24 19.37 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.718 2.279 . . . . 0.0 112.354 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 129.65 18.0 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.68 2.253 . . . . 0.0 112.342 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 44.9 p -112.98 -177.98 3.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.139 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 80.6 mt 55.56 48.97 17.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.914 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.49 HD12 ' HD1' ' A' ' 96' ' ' TYR . 1.9 tm? -81.79 109.47 16.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.955 179.829 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 45.4 p -133.77 158.12 44.15 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.139 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.418 HG23 ' CZ ' ' A' ' 96' ' ' TYR . 21.4 t -94.78 84.4 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.115 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 16' ' ' VAL . 25.4 t70 -36.07 -60.22 0.56 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.861 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.566 ' O ' HG23 ' A' ' 19' ' ' VAL . 20.9 t -157.81 177.7 11.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.823 -179.757 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.859 HG13 HG12 ' A' ' 24' ' ' VAL . 39.8 t -160.15 147.98 6.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.126 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -133.51 158.11 43.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.128 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.708 ' OD1' HG23 ' A' ' 74' ' ' THR . 6.4 m-20 -59.75 -15.18 18.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.853 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 29.7 p -98.84 -53.32 3.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.113 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 16.6 p -139.64 163.08 33.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.114 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.859 HG12 HG13 ' A' ' 19' ' ' VAL . 31.0 m -111.5 163.82 7.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.123 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 28.8 m -132.14 127.94 37.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.15 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 99.0 mmm -115.91 160.27 20.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.901 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.439 ' HD3' ' N ' ' A' ' 28' ' ' TRP . 0.0 OUTLIER -148.94 151.54 34.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.859 -179.935 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.547 ' CZ3' HD12 ' A' ' 44' ' ' LEU . 26.5 p90 -163.62 172.63 14.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.889 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 16.2 mtt180 -123.43 154.49 65.99 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.601 0.715 . . . . 0.0 110.908 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 168.57 21.2 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.705 2.27 . . . . 0.0 112.308 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 153.9 68.33 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.722 2.282 . . . . 0.0 112.308 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -39.52 -50.01 2.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.854 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.55 ' C ' HD12 ' A' ' 34' ' ' ILE . 9.6 t-80 -162.71 157.48 21.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.866 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.707 ' N ' HD12 ' A' ' 34' ' ' ILE . 1.2 mp -102.39 126.6 56.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.135 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -126.31 -44.39 0.25 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.467 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.704 ' HB2' ' HA3' ' A' ' 7' ' ' GLY . . . -56.46 -174.95 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.803 0.335 . . . . 0.0 111.061 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.52 ' CB ' ' HB3' ' A' ' 87' ' ' ALA . . . -33.85 -34.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.091 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.474 ' N ' ' O ' ' A' ' 36' ' ' ALA . . . 151.08 -159.35 28.14 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.456 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 7.3 tp -132.98 124.8 28.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.807 0.337 . . . . 0.0 110.912 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.412 ' O ' ' C ' ' A' ' 41' ' ' GLY . 19.9 m-20 -110.49 95.13 5.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 179.823 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.465 ' C ' ' CG ' ' A' ' 42' ' ' TYR . . . 36.84 -134.91 0.75 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.499 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.465 ' CG ' ' C ' ' A' ' 41' ' ' GLY . 1.4 m-85 -157.99 169.41 24.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.9 0.381 . . . . 0.0 110.92 -179.816 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 95.0 t -133.79 127.54 52.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.112 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.547 HD12 ' CZ3' ' A' ' 28' ' ' TRP . 8.4 tt -122.08 130.56 53.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.906 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 76.4 mt-10 -134.46 153.71 51.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.91 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 26.4 p90 -134.18 137.32 44.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.928 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.51 ' HB2' ' CD2' ' A' ' 54' ' ' TRP . 26.1 t -107.82 133.79 51.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.867 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -90.66 147.83 23.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.868 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -59.78 133.59 56.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.931 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 94.38 -48.03 2.14 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.522 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 68.0 p -74.44 118.36 17.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.745 0.307 . . . . 0.0 111.111 -179.833 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -83.33 37.82 0.58 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -144.49 138.37 27.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.851 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.51 ' CD2' ' HB2' ' A' ' 47' ' ' CYS . 85.9 m95 -82.84 135.77 34.84 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.946 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 5.2 mp -98.43 122.4 50.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.133 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.422 HG12 ' O ' ' A' ' 58' ' ' ASN . 36.8 t -70.86 130.53 34.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.178 179.811 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -93.42 -49.42 5.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.082 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.422 ' O ' HG12 ' A' ' 56' ' ' VAL . 11.3 p-10 -83.06 165.89 19.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 5.5 ptpt -91.17 -49.37 6.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.927 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 16.3 t0 -125.47 -74.92 0.6 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.838 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 43.5 mt -137.9 173.43 11.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.946 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 24.6 mt -116.47 125.19 73.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.149 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 12.7 t0 -84.07 -57.95 2.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 42.1 mttp -68.96 164.99 20.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.885 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -85.52 -4.36 59.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.131 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 17.6 mtmt -119.05 163.4 17.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.864 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.494 ' CD1' ' N ' ' A' ' 68' ' ' THR . 21.1 t80 -153.89 154.45 33.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.888 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.494 ' N ' ' CD1' ' A' ' 67' ' ' PHE . 7.3 m -130.2 123.03 29.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.116 -179.865 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.432 ' HB ' HG22 ' A' ' 24' ' ' VAL . 52.4 mt -87.22 103.65 13.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.15 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 48.8 p -86.41 137.08 32.84 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.118 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 91.87 65.19 1.14 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.507 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 19.9 mt -132.68 132.6 22.72 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.566 0.698 . . . . 0.0 110.913 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.449 ' O ' HG11 ' A' ' 102' ' ' VAL . 53.5 Cg_endo -69.78 130.74 19.84 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.673 2.248 . . . . 0.0 112.339 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.708 HG23 ' OD1' ' A' ' 21' ' ' ASP . 81.5 m -59.51 137.51 57.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.104 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 14.9 t70 69.59 49.81 0.54 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.863 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.503 ' O ' HD12 ' A' ' 101' ' ' LEU . . . -130.95 139.57 50.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.07 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 43.5 mttp -96.45 126.09 41.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.876 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 14.2 pt -139.24 146.59 25.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.151 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 64.6 m-85 -99.74 138.79 36.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 40.3 t -117.19 145.54 22.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.12 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.448 ' HG2' ' CZ3' ' A' ' 54' ' ' TRP . 4.1 ptp180 -146.84 133.46 19.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.907 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 21.1 m -126.97 128.15 70.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.111 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 28.9 pttt -131.99 163.86 27.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.939 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -100.67 135.77 41.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.107 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 87.5 t -119.69 135.11 61.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.147 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -144.4 167.59 22.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.856 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.52 ' HB3' ' CB ' ' A' ' 37' ' ' ALA . . . -39.02 -44.01 1.05 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.125 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -56.44 -52.8 63.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.063 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 172.39 -130.92 2.01 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.449 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -128.22 161.26 29.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.818 0.342 . . . . 0.0 111.098 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 2.8 m -104.12 167.38 9.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.859 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -62.45 142.4 96.35 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.643 0.735 . . . . 0.0 110.89 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 147.38 62.53 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.674 2.249 . . . . 0.0 112.341 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 2.2 tppt? -107.47 99.79 9.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 28.1 m-85 -84.61 116.02 22.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.927 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' TYR . . . . . 0.49 ' HD1' HD12 ' A' ' 14' ' ' LEU . 4.6 t80 -55.93 177.86 0.05 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 68.9 m -78.53 -71.53 0.43 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.848 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 47.6 mt-30 -102.72 154.14 37.71 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.61 0.719 . . . . 0.0 110.922 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 112.22 3.02 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.684 2.256 . . . . 0.0 112.334 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 15.8 mt -54.05 111.19 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.145 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.503 HD12 ' O ' ' A' ' 76' ' ' ALA . 31.9 tp -92.79 91.18 7.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.449 HG11 ' O ' ' A' ' 73' ' ' PRO . 2.5 p -39.19 93.48 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.151 179.807 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 0.465 ' N ' ' O ' ' A' ' 101' ' ' LEU . 25.2 tptt -144.6 145.03 31.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -79.38 161.19 26.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.89 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 2.0 m -105.29 -35.05 7.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.826 -179.784 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -164.95 146.1 10.92 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.449 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.68 -27.41 26.88 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.706 2.27 . . . . 0.0 112.378 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 34.4 t -65.65 128.73 37.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.85 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 52.8 p -101.53 128.37 47.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.277 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.472 -179.973 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.2 p -107.12 103.81 13.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.869 0.366 . . . . 0.0 110.891 -179.74 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.8 p -54.44 173.0 0.08 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.917 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 62.13 60.04 8.59 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.529 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.6 t -110.27 125.59 53.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.872 0.368 . . . . 0.0 110.845 -179.719 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.4 p -130.36 -46.61 1.09 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.819 -179.796 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 127.56 -40.89 1.67 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.449 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.1 p -90.99 173.07 8.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.832 0.349 . . . . 0.0 111.13 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 22.1 m -97.82 149.85 36.15 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.677 0.751 . . . . 0.0 110.874 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 169.75 18.2 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.631 2.221 . . . . 0.0 112.316 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.573 ' HG2' HG23 ' A' ' 82' ' ' VAL . 53.5 Cg_endo -69.76 121.07 7.77 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.676 2.25 . . . . 0.0 112.321 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 42.2 p -101.79 176.77 5.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.173 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.691 HD12 ' NE ' ' A' ' 29' ' ' ARG . 13.4 mt 56.28 45.63 22.66 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.918 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.649 HD13 ' C ' ' A' ' 14' ' ' LEU . 2.0 tm? -85.59 109.13 18.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.937 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.42 ' N ' HD13 ' A' ' 14' ' ' LEU . 5.1 t -135.0 157.63 46.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.16 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 44.8 t -77.27 89.28 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.124 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -45.4 -58.91 2.99 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 17.0 m -154.23 171.52 19.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.827 -179.709 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 1.033 HG13 HG12 ' A' ' 24' ' ' VAL . 58.2 t -151.99 136.78 10.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.115 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.529 HG23 ' OE2' ' A' ' 104' ' ' GLU . 24.9 m -133.96 137.44 44.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.203 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -38.3 -30.86 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.868 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.425 ' N ' ' O ' ' A' ' 20' ' ' THR . 38.2 p -83.55 -63.24 1.39 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.178 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 54.3 p -130.81 165.92 21.96 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.109 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 1.033 HG12 HG13 ' A' ' 19' ' ' VAL . 34.2 m -118.93 154.67 21.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.121 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 28.0 m -118.48 142.97 47.06 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.125 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.458 ' HG3' HG11 ' A' ' 80' ' ' VAL . 84.3 mmm -140.06 120.97 14.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.936 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 10.8 ptt180 -102.82 152.1 21.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.863 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 34.3 p90 -153.59 165.63 35.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.691 ' NE ' HD12 ' A' ' 13' ' ' LEU . 1.7 ttp180 -121.37 139.07 29.02 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.636 0.731 . . . . 0.0 110.848 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 166.19 28.4 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.704 2.269 . . . . 0.0 112.338 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.448 ' HG2' ' CD1' ' A' ' 34' ' ' ILE . 53.9 Cg_endo -69.75 138.99 39.18 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.697 2.265 . . . . 0.0 112.349 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -62.08 -46.92 86.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.864 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.798 ' O ' HD13 ' A' ' 34' ' ' ILE . 28.6 t-80 -93.12 141.89 27.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.862 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.798 HD13 ' O ' ' A' ' 33' ' ' HIS . 22.4 mm -133.28 116.26 25.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.137 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -139.65 -51.8 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.526 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.412 ' O ' ' C ' ' A' ' 37' ' ' ALA . . . -53.45 91.38 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.845 0.355 . . . . 0.0 111.104 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.572 ' CB ' ' HB3' ' A' ' 87' ' ' ALA . . . 36.42 37.63 0.06 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.133 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.522 ' HA2' HG22 ' A' ' 34' ' ' ILE . . . 66.9 -153.63 52.76 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.461 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.435 HD21 ' CE1' ' A' ' 42' ' ' TYR . 21.9 tp -130.17 136.58 49.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.79 0.329 . . . . 0.0 110.924 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -122.09 94.78 4.41 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.863 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 43.46 -161.66 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.512 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.435 ' CE1' HD21 ' A' ' 39' ' ' LEU . 4.7 m-85 -139.38 -178.09 5.22 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.914 0.388 . . . . 0.0 110.934 -179.792 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 95.9 t -140.21 135.67 36.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.111 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.615 HD23 ' CB ' ' A' ' 57' ' ' ALA . 4.6 tp -112.69 136.7 51.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.907 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -144.28 133.38 22.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 25.2 p90 -126.86 145.77 50.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.866 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.525 ' HB2' ' CD2' ' A' ' 54' ' ' TRP . 19.3 t -114.06 99.96 8.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.896 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.464 ' HA ' HG22 ' A' ' 78' ' ' ILE . 4.2 t80 -53.94 157.12 2.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.918 -179.871 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -70.15 -42.09 72.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.856 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -89.51 40.24 3.06 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.517 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 29.6 p -140.9 -177.52 5.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.749 0.309 . . . . 0.0 111.136 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.3 pp20? -131.59 -35.56 1.29 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.916 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -96.71 145.31 25.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.897 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.525 ' CD2' ' HB2' ' A' ' 47' ' ' CYS . 55.9 m95 -70.92 123.28 21.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 18.0 mt -87.64 138.27 19.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.104 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.426 ' O ' HG13 ' A' ' 56' ' ' VAL . 7.4 p -91.57 122.64 43.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.13 179.833 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.615 ' CB ' HD23 ' A' ' 44' ' ' LEU . . . -73.95 -34.22 64.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.087 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.514 ' HB2' ' CE2' ' A' ' 67' ' ' PHE . 1.2 t-20 -152.15 108.76 3.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.925 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -58.74 -58.26 9.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.853 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -53.05 -174.98 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.886 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 20.3 mt -97.35 134.37 40.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.927 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 6.6 mt -87.83 106.87 16.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.127 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -56.46 -65.22 0.65 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 20.6 mtmm -58.29 169.67 0.82 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.957 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 21.2 p -99.01 34.07 2.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.102 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 16.4 ttpp -158.05 135.85 10.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.842 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.514 ' CE2' ' HB2' ' A' ' 58' ' ' ASN . 35.6 t80 -131.84 156.05 46.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.848 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.423 ' N ' ' CD1' ' A' ' 67' ' ' PHE . 89.3 m -131.03 102.45 6.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.121 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.459 HD12 ' CG2' ' A' ' 24' ' ' VAL . 39.6 mt -48.89 139.35 3.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.119 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 58.5 p -112.36 128.73 56.37 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.185 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 85.47 79.81 1.14 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.511 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 20.4 mt -136.97 130.37 17.52 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.591 0.71 . . . . 0.0 110.933 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 129.14 17.05 Favored 'Trans proline' 0 N--CA 1.465 -0.195 0 C-N-CA 122.699 2.266 . . . . 0.0 112.339 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 18.4 m -59.4 143.48 49.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.1 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 14.3 t70 66.53 47.85 1.59 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -133.9 146.11 50.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.091 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.451 ' HG3' HD13 ' A' ' 101' ' ' LEU . 45.7 mttm -104.67 145.04 30.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.915 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.464 HG22 ' HA ' ' A' ' 48' ' ' PHE . 2.7 pp -153.15 156.24 5.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.148 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 37.9 m-85 -100.76 128.51 46.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.647 HG23 HD13 ' A' ' 100' ' ' ILE . 92.5 t -108.45 141.07 24.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.122 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.429 ' HG2' ' CZ3' ' A' ' 54' ' ' TRP . 46.1 ptt85 -159.56 131.96 6.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.895 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.606 ' CG1' HD12 ' A' ' 44' ' ' LEU . 14.4 m -118.97 148.04 22.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.111 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 43.1 pttt -139.88 139.53 36.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.863 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -70.33 137.93 51.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.095 179.812 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 86.4 t -125.39 129.02 73.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.148 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -143.82 173.01 12.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.904 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.572 ' HB3' ' CB ' ' A' ' 37' ' ' ALA . . . -42.47 -56.24 3.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.126 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -48.24 -54.15 14.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.098 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 176.59 -113.96 0.46 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.486 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -151.46 166.8 29.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.766 0.317 . . . . 0.0 111.091 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 69.6 m -105.33 166.97 10.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.848 -179.783 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -57.87 144.18 75.21 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.617 0.722 . . . . 0.0 110.903 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 142.66 48.4 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.665 2.243 . . . . 0.0 112.346 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.57 108.21 20.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.89 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 57.9 m-85 -92.79 123.28 35.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.894 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -65.26 179.37 0.75 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.898 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.2 t -79.25 -68.12 0.69 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.874 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 18.1 mm-40 -105.68 155.05 38.78 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.641 0.734 . . . . 0.0 110.888 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 125.2 11.87 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.646 2.231 . . . . 0.0 112.358 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.728 HD12 ' H ' ' A' ' 100' ' ' ILE . 4.8 mp -68.04 138.23 23.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.105 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.454 ' O ' ' N ' ' A' ' 103' ' ' LYS . 8.8 tp -118.69 110.69 17.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.541 HG13 ' O ' ' A' ' 102' ' ' VAL . 5.1 p -58.57 81.19 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.122 179.78 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 0.454 ' N ' ' O ' ' A' ' 101' ' ' LEU . 19.4 tptp -136.97 145.66 44.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.529 ' OE2' HG23 ' A' ' 20' ' ' THR . 7.4 tt0 -88.85 168.15 12.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.906 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 44.7 m -115.91 50.62 1.01 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.872 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 76.04 -157.26 48.33 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.521 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 85.3 0.62 Allowed 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.739 2.292 . . . . 0.0 112.315 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 20.9 t -108.94 143.25 38.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.839 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 3.5 m -137.62 110.72 7.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.867 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.503 -179.983 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.519 -0.232 . . . . 0.0 112.519 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.9 t -84.34 178.69 7.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.903 0.382 . . . . 0.0 110.843 -179.735 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.3 p -143.82 129.04 18.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.848 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 142.88 77.28 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.489 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.2 m -69.57 146.58 51.67 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.909 0.385 . . . . 0.0 110.857 -179.729 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.8 p -94.52 -6.64 43.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.825 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 100.56 -55.56 0.82 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.443 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.977 ' CG2' HG23 ' A' ' 34' ' ' ILE . 3.3 p -83.66 165.03 19.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.838 0.352 . . . . 0.0 111.112 -179.833 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 67.1 m -88.78 150.03 44.97 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.632 0.73 . . . . 0.0 110.887 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 166.2 28.4 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.719 2.279 . . . . 0.0 112.337 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 117.61 5.19 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.711 2.274 . . . . 0.0 112.309 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 47.0 p -100.02 -178.59 3.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.12 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 19.9 mt 54.76 46.54 24.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.925 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -82.44 114.58 20.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.95 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 6.6 t -144.61 156.91 44.36 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.108 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 8.7 t -85.61 102.4 11.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.105 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -54.33 -62.34 1.72 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.876 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.5 t -146.48 172.06 14.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.896 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.712 HG13 HG12 ' A' ' 24' ' ' VAL . 71.8 t -150.86 128.0 2.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.15 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.466 ' O ' ' N ' ' A' ' 22' ' ' THR . 7.5 m -124.79 133.63 53.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.129 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -39.85 -25.82 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.897 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.466 ' N ' ' O ' ' A' ' 20' ' ' THR . 16.6 p -87.36 -55.29 3.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.168 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 48.4 p -140.6 162.11 36.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.113 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.712 HG12 HG13 ' A' ' 19' ' ' VAL . 32.9 m -115.22 152.35 16.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.128 179.83 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 11.5 m -123.43 138.08 54.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.104 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.424 ' HG3' HG11 ' A' ' 80' ' ' VAL . 63.7 mmm -122.27 166.79 14.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.895 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 7.7 ptm180 -150.12 146.81 27.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.933 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 13.2 p90 -157.27 167.13 31.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.919 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 17.6 mtt180 -119.2 154.95 53.87 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.573 0.702 . . . . 0.0 110.867 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 166.05 28.93 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.649 2.232 . . . . 0.0 112.345 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.456 ' HG2' HD11 ' A' ' 34' ' ' ILE . 53.9 Cg_endo -69.71 145.35 57.13 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.734 2.29 . . . . 0.0 112.327 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.425 ' C ' ' O ' ' A' ' 31' ' ' PRO . 5.3 t0 -35.63 -48.15 0.51 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.831 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 13.3 t-80 -161.15 147.02 14.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.87 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.977 HG23 ' CG2' ' A' ' 8' ' ' THR . 4.1 mp -106.64 135.36 45.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.127 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -151.58 42.1 0.72 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.465 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -153.73 108.2 3.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.814 0.34 . . . . 0.0 111.099 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.573 ' HB1' ' HB3' ' A' ' 87' ' ' ALA . . . 40.0 29.63 0.05 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.083 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 62.37 -178.63 5.1 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.485 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 6.3 tp -115.26 138.94 50.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.828 0.347 . . . . 0.0 110.904 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.414 ' O ' ' C ' ' A' ' 41' ' ' GLY . 14.8 m-20 -119.63 99.74 6.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.855 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.414 ' C ' ' O ' ' A' ' 40' ' ' ASP . . . 36.59 -147.46 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.524 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -150.46 156.23 41.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.925 0.393 . . . . 0.0 110.904 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 95.0 t -110.32 127.24 67.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.135 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 5.0 tt -122.06 132.9 54.73 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.891 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 56.9 mt-10 -134.72 164.95 26.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.872 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 13.9 p90 -146.16 141.78 27.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.94 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.581 ' HB2' ' CE3' ' A' ' 54' ' ' TRP . 53.1 t -110.26 117.18 32.96 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.823 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -79.02 135.68 36.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.895 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -51.09 136.62 23.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.886 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 99.53 -46.82 1.38 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.496 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 61.4 p -82.09 120.79 25.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.759 0.314 . . . . 0.0 111.161 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -82.57 39.43 0.61 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -142.19 145.36 34.06 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.583 ' CH2' ' HG3' ' A' ' 81' ' ' ARG . 74.1 m95 -90.1 112.35 23.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.898 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 22.8 mt -78.82 151.32 5.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.138 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 90.1 t -91.99 124.28 44.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.145 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -81.09 -39.85 25.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.091 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.647 ' OD1' HD11 ' A' ' 62' ' ' ILE . 3.9 p-10 -143.19 129.55 19.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.861 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.72 -50.37 10.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.923 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 75.1 m-20 -68.76 176.84 2.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.87 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 4.3 mt -85.58 136.54 33.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.922 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.647 HD11 ' OD1' ' A' ' 58' ' ' ASN . 21.1 mt -86.82 107.44 16.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.141 179.851 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 -65.13 -60.73 2.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.841 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 70.9 mmtt -57.51 171.31 0.45 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.925 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 16.8 p -101.16 21.04 14.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.15 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 18.4 mtmm -142.34 154.9 45.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.931 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 58.9 t80 -145.75 149.91 35.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.926 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 89.7 m -134.99 98.51 4.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.144 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 54.8 mt -50.38 126.07 4.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.146 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 20.4 p -100.4 132.63 45.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.133 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 83.96 79.38 1.07 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.476 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 13.7 mt -135.84 133.01 19.68 Favored Pre-proline 0 C--N 1.327 -0.375 0 CA-C-O 121.573 0.701 . . . . 0.0 110.959 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.678 ' O ' HG11 ' A' ' 102' ' ' VAL . 53.8 Cg_endo -69.79 141.63 45.63 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.679 2.253 . . . . 0.0 112.335 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 42.9 m -68.01 142.3 55.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.155 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 60.87 47.97 7.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.631 ' O ' HD12 ' A' ' 101' ' ' LEU . . . -124.53 140.75 52.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.034 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 38.4 mttp -97.36 129.57 44.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.452 HD12 ' C ' ' A' ' 78' ' ' ILE . 2.7 pp -142.58 163.34 17.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.108 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.526 ' CE1' ' HB3' ' A' ' 99' ' ' PRO . 92.0 m-85 -113.44 149.78 33.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.943 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.452 HG23 HD13 ' A' ' 100' ' ' ILE . 71.4 t -123.49 128.44 74.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.119 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.601 ' NE ' ' CD2' ' A' ' 95' ' ' TYR . 40.6 mmt-85 -131.71 133.11 44.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.854 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 27.9 m -130.2 145.4 35.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.101 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 17.0 pttm -156.42 157.61 35.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.922 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -81.06 154.64 26.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.105 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 96.7 t -148.84 130.22 5.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.085 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -146.03 170.19 17.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.886 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.573 ' HB3' ' HB1' ' A' ' 37' ' ' ALA . . . -42.21 -48.15 4.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.097 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -55.49 -60.59 3.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.066 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -176.69 -151.1 8.68 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.499 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -125.64 163.29 23.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.807 0.337 . . . . 0.0 111.09 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.8 t -102.76 166.17 10.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.841 -179.736 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -54.13 142.23 48.02 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.6 0.714 . . . . 0.0 110.894 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 136.04 32.04 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.708 2.272 . . . . 0.0 112.317 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 20.4 tptp -87.12 123.33 32.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.9 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' TYR . . . . . 0.601 ' CD2' ' NE ' ' A' ' 81' ' ' ARG . 51.1 m-85 -106.81 112.34 25.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.904 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' TYR . . . . . 0.545 ' CD1' ' N ' ' A' ' 97' ' ' SER . 28.4 t80 -62.47 166.09 5.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.934 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' SER . . . . . 0.545 ' N ' ' CD1' ' A' ' 96' ' ' TYR . 41.0 m -70.8 -73.78 0.16 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.862 -179.838 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 15.0 pt20 -102.72 152.4 38.43 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.615 0.721 . . . . 0.0 110.886 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.526 ' HB3' ' CE1' ' A' ' 79' ' ' PHE . 54.2 Cg_endo -69.71 138.32 37.69 Favored 'Trans proline' 0 C--O 1.232 0.219 0 C-N-CA 122.692 2.262 . . . . 0.0 112.356 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.704 HD12 ' H ' ' A' ' 100' ' ' ILE . 3.5 mp -80.21 130.99 35.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.122 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.631 HD12 ' O ' ' A' ' 76' ' ' ALA . 25.7 tp -113.82 104.67 12.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.919 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.678 HG11 ' O ' ' A' ' 73' ' ' PRO . 3.1 p -50.17 90.87 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.157 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 0.424 ' N ' ' O ' ' A' ' 101' ' ' LEU . 0.4 OUTLIER -137.94 143.68 40.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 179.955 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -71.12 147.27 48.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 13.0 t -80.52 -64.68 1.13 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.869 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 87.83 -155.79 26.99 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.47 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 2.09 3.89 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.648 2.232 . . . . 0.0 112.319 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 2.6 m 60.29 40.75 17.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.849 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 3.7 m -89.08 41.73 1.05 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.884 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.461 -179.995 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.4 t -96.35 70.45 2.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.879 0.371 . . . . 0.0 110.843 -179.693 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 t -41.4 145.34 0.27 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.899 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 165.44 -121.95 1.04 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.523 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.0 t 73.38 52.11 0.12 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.914 0.388 . . . . 0.0 110.842 -179.762 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.5 p -61.8 -49.38 76.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.88 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 145.07 -58.42 0.51 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.51 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.587 HG22 ' HA ' ' A' ' 34' ' ' ILE . 0.8 OUTLIER -83.96 167.35 17.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.78 0.324 . . . . 0.0 111.167 -179.879 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.6 t -85.92 149.66 51.11 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.681 0.753 . . . . 0.0 110.858 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 169.4 18.99 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.662 2.241 . . . . 0.0 112.372 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 130.27 19.02 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.654 2.236 . . . . 0.0 112.376 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 71.1 p -118.24 176.93 5.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.107 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.418 ' HA ' HD23 ' A' ' 13' ' ' LEU . 11.7 mt 59.02 46.52 13.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.923 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -81.86 125.16 30.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.942 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.3 t -154.92 153.64 31.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.156 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 10.2 t -76.69 120.19 26.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.118 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -77.37 -65.27 0.98 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.6 m -136.52 152.45 50.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 42.0 t -140.83 126.67 19.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.129 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.7 m -133.91 141.29 47.29 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.141 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -45.45 -22.88 0.17 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.879 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 74.2 p -86.06 -56.66 3.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.147 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.8 p -143.89 169.89 16.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.163 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 27.2 m -124.38 160.31 29.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.128 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 76.9 m -136.13 132.44 36.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.142 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.721 ' HG3' HG11 ' A' ' 80' ' ' VAL . 87.3 mmm -119.26 150.23 40.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.915 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 15.5 ptt180 -127.8 158.8 36.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.88 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 14.4 p90 -162.08 169.92 20.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.919 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -121.69 150.86 56.25 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.576 0.703 . . . . 0.0 110.882 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 169.55 18.74 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.686 2.257 . . . . 0.0 112.296 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.66 147.17 62.91 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.682 2.255 . . . . 0.0 112.334 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -62.4 -50.64 70.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 1.9 t-160 -114.15 137.71 51.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.587 ' HA ' HG22 ' A' ' 8' ' ' THR . 1.8 mt -127.16 96.33 3.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.171 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -132.24 47.59 1.0 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.521 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.482 ' O ' ' N ' ' A' ' 38' ' ' GLY . . . -151.16 106.85 3.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.784 0.325 . . . . 0.0 111.077 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.414 ' C ' ' O ' ' A' ' 36' ' ' ALA . . . 36.89 29.97 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.11 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.482 ' N ' ' O ' ' A' ' 36' ' ' ALA . . . 64.78 -152.71 50.4 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.467 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.608 HD21 ' OH ' ' A' ' 42' ' ' TYR . 21.4 tp -128.52 136.83 51.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.824 0.345 . . . . 0.0 110.925 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.424 ' O ' ' C ' ' A' ' 41' ' ' GLY . 65.8 m-20 -121.7 95.34 4.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.901 179.831 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.477 ' C ' ' CD1' ' A' ' 42' ' ' TYR . . . 36.26 -149.31 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.433 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.608 ' OH ' HD21 ' A' ' 39' ' ' LEU . 2.5 m-85 -153.37 171.1 19.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.972 0.415 . . . . 0.0 110.903 -179.802 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 85.4 t -127.26 132.71 69.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.106 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.561 HD13 ' HB3' ' A' ' 67' ' ' PHE . 10.2 tt -128.61 139.05 52.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 64.3 mt-10 -147.54 147.77 30.47 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.447 ' HB2' HD12 ' A' ' 78' ' ' ILE . 30.1 p90 -128.27 132.08 48.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.902 -179.855 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 15.2 t -99.29 122.74 42.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.897 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -72.39 166.48 22.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.916 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -76.46 128.18 34.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.856 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 83.17 15.93 70.77 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.518 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 71.3 p -123.48 127.43 48.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.721 0.295 . . . . 0.0 111.15 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -96.01 25.35 4.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.916 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -135.31 119.79 18.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.849 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.475 ' CZ3' ' HG2' ' A' ' 81' ' ' ARG . 83.9 m95 -70.67 131.61 44.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.884 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 89.2 mt -91.73 130.21 41.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.107 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 98.5 t -78.9 118.96 27.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.117 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.47 ' HB1' ' CE1' ' A' ' 67' ' ' PHE . . . -85.38 -47.58 9.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.086 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 25.4 p-10 -90.34 133.37 35.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 2.4 tppp? -60.0 -64.58 0.9 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.915 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -110.78 -74.43 0.65 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.823 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 28.9 mt -141.85 158.25 44.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.421 HG22 ' H ' ' A' ' 64' ' ' LYS . 41.9 mt -102.74 118.36 49.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.105 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -97.07 43.81 1.06 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.829 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.421 ' H ' HG22 ' A' ' 62' ' ' ILE . 28.1 mtpt -157.1 159.39 37.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.902 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 5.2 p -87.81 8.51 25.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.162 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 14.3 mtmt -143.88 154.06 42.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.928 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.561 ' HB3' HD13 ' A' ' 44' ' ' LEU . 21.0 t80 -147.42 144.66 28.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.854 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 17.7 m -124.31 119.21 28.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.117 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 28.6 mt -79.05 103.21 5.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.156 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 65.2 p -82.35 135.95 35.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.155 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 90.03 61.26 1.35 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.501 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 13.6 mt -129.96 131.56 23.56 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.596 0.712 . . . . 0.0 110.966 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 164.33 34.95 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.701 2.268 . . . . 0.0 112.344 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.603 HG22 ' N ' ' A' ' 75' ' ' ASP . 83.8 m -84.71 163.84 18.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.127 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.603 ' N ' HG22 ' A' ' 74' ' ' THR . 0.3 OUTLIER 47.17 28.58 0.99 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.886 179.919 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.463 ' O ' HG12 ' A' ' 102' ' ' VAL . . . -101.01 145.75 28.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.114 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 12.3 mmtp -111.75 121.09 44.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.447 HD12 ' HB2' ' A' ' 46' ' ' TYR . 9.2 pt -133.97 160.87 41.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.117 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 93.8 m-85 -109.8 133.54 53.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.848 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.721 HG11 ' HG3' ' A' ' 26' ' ' MET . 96.3 t -108.42 137.64 39.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.114 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.475 ' HG2' ' CZ3' ' A' ' 54' ' ' TRP . 13.7 ptt180 -148.55 135.9 20.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.847 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 29.9 m -129.75 160.27 40.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.149 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 23.3 pttm -154.65 173.81 15.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.854 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -107.39 116.37 31.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.064 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 95.6 t -111.12 130.18 65.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.137 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.446 ' N ' ' ND2' ' A' ' 86' ' ' ASN . 0.0 OUTLIER -139.43 173.62 11.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.879 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -51.55 -43.3 62.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.09 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -55.75 -61.22 2.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.073 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -170.93 -141.01 3.18 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.474 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -130.66 155.57 46.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.774 0.321 . . . . 0.0 111.124 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.8 m -102.22 168.96 9.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.859 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -65.41 144.73 99.04 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.642 0.734 . . . . 0.0 110.875 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 147.15 62.22 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.706 2.27 . . . . 0.0 112.311 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 25.5 tptt -122.93 112.44 17.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.933 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -101.51 139.6 36.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.927 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -65.66 167.37 9.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.916 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.2 t -68.75 -64.62 0.83 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.908 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -103.41 155.91 36.16 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.537 0.684 . . . . 0.0 110.914 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 146.29 59.61 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.68 2.254 . . . . 0.0 112.334 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.67 HD13 HG23 ' A' ' 80' ' ' VAL . 5.2 mp -88.85 110.83 21.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.125 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.431 HD21 ' HZ1' ' A' ' 103' ' ' LYS . 16.1 tp -87.48 103.23 15.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.717 HG22 ' O ' ' A' ' 102' ' ' VAL . 0.7 OUTLIER -62.16 84.95 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.126 179.823 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 0.498 ' HZ3' ' HB2' ' A' ' 103' ' ' LYS . 0.0 OUTLIER -136.43 149.56 48.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.853 179.927 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.466 ' OE2' ' N ' ' A' ' 105' ' ' SER . 0.5 OUTLIER -74.97 150.85 38.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 179.937 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 105' ' ' SER . . . . . 0.466 ' N ' ' OE2' ' A' ' 104' ' ' GLU . 68.7 m -162.78 117.18 1.74 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.855 -179.788 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 138.16 -162.86 25.69 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.49 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 148.32 64.97 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.682 2.255 . . . . 0.0 112.339 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 41.3 p -112.95 44.97 1.41 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.863 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 96.1 p -106.61 140.91 38.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.859 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.503 -179.982 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 90.4 p -105.77 149.65 26.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.913 0.387 . . . . 0.0 110.806 -179.743 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.6 p -131.53 129.25 40.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.872 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 164.36 164.15 18.97 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.506 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.0 t -111.65 -178.06 3.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.847 0.356 . . . . 0.0 110.866 -179.733 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.0 p -79.73 164.92 23.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.867 -179.799 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -105.32 -3.52 41.16 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.521 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -128.08 170.67 12.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.794 0.33 . . . . 0.0 111.123 -179.855 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 18.8 m -94.36 147.33 33.13 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.643 0.735 . . . . 0.0 110.867 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 169.59 18.51 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.717 2.278 . . . . 0.0 112.351 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.624 ' HG2' HG23 ' A' ' 82' ' ' VAL . 54.0 Cg_endo -69.69 129.83 18.36 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.726 2.284 . . . . 0.0 112.376 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 43.1 p -120.32 179.54 4.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.132 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 16.7 mt 53.29 46.0 27.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.451 HD13 ' C ' ' A' ' 14' ' ' LEU . 3.0 tm? -86.16 112.56 21.43 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.916 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 51.1 p -137.01 157.97 45.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.178 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.483 ' CG1' HG23 ' A' ' 19' ' ' VAL . 6.7 t -85.13 99.29 7.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.126 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -56.65 -60.95 2.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.861 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 15.8 p -146.18 154.91 42.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.819 -179.755 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.483 HG23 ' CG1' ' A' ' 16' ' ' VAL . 25.4 t -142.87 128.58 16.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.126 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -120.11 151.42 39.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.163 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -53.94 -17.17 2.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.865 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 3.0 p -98.12 -61.62 1.36 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.129 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 23.1 p -125.91 168.64 13.61 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.16 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.924 ' O ' HG23 ' A' ' 68' ' ' THR . 16.5 m -121.71 155.52 26.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.13 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 19.0 m -126.28 136.09 52.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.116 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 93.2 mmm -124.97 157.14 36.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.866 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 11.1 ptm180 -140.39 140.3 35.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.924 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 11.3 p90 -149.05 165.63 31.13 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.951 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 25.1 mtt180 -119.52 157.01 52.83 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.609 0.719 . . . . 0.0 110.812 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 169.14 19.69 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.632 2.222 . . . . 0.0 112.34 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.458 ' HG2' ' CD1' ' A' ' 34' ' ' ILE . 53.8 Cg_endo -69.78 144.82 55.12 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.656 2.237 . . . . 0.0 112.335 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.447 ' C ' ' O ' ' A' ' 31' ' ' PRO . 25.5 t0 -34.71 -39.41 0.09 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 24.8 t-80 -160.3 170.91 20.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.458 ' CD1' ' HG2' ' A' ' 31' ' ' PRO . 43.0 mm -120.06 120.65 63.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.114 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -74.44 -172.79 28.8 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.51 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.423 ' O ' ' C ' ' A' ' 37' ' ' ALA . . . -59.69 -51.74 68.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.771 0.319 . . . . 0.0 111.099 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.423 ' C ' ' O ' ' A' ' 36' ' ' ALA . . . -35.55 -42.02 0.22 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.086 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 97.73 179.76 33.26 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.508 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.5 tp -133.78 134.4 42.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.792 0.33 . . . . 0.0 110.909 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -124.16 98.05 5.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.836 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.432 ' C ' ' CG ' ' A' ' 42' ' ' TYR . . . 41.76 -147.19 0.5 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.484 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.432 ' CG ' ' C ' ' A' ' 41' ' ' GLY . 2.2 m-85 -156.93 175.67 13.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.9 0.381 . . . . 0.0 110.935 -179.804 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 69.5 t -125.8 133.31 69.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.128 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.457 HD13 ' HB3' ' A' ' 67' ' ' PHE . 9.6 tt -136.31 131.46 34.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.924 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -144.59 170.81 15.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 6.0 p90 -139.48 140.52 37.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.875 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 4.7 t -110.39 91.16 3.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.9 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -49.67 157.71 0.53 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.825 -179.809 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -77.92 135.68 37.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.872 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 97.72 -44.3 1.85 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.473 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 19.3 p -68.89 -41.23 78.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.754 0.312 . . . . 0.0 111.153 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 67.82 26.43 7.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.879 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -133.0 142.2 48.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.88 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.548 ' CZ3' ' HG2' ' A' ' 81' ' ' ARG . 88.7 m95 -87.75 110.59 20.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 17.4 mt -83.91 138.98 18.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.121 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 70.5 t -71.67 112.88 7.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.11 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.466 ' HB1' ' CE1' ' A' ' 67' ' ' PHE . . . -80.05 -64.15 1.25 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.083 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.496 ' HB3' ' CE2' ' A' ' 67' ' ' PHE . 7.5 p-10 -84.31 98.11 9.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.918 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 34.0 ttmt -44.66 -34.53 2.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.427 ' O ' ' C ' ' A' ' 61' ' ' LEU . 10.7 m-20 -128.49 147.17 50.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.866 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.427 ' C ' ' O ' ' A' ' 60' ' ' ASP . 35.1 mt -34.74 142.65 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 10.2 mt -90.68 139.81 17.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.159 179.802 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -103.98 -49.24 3.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.829 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 26.8 mmtt -69.28 166.56 18.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.921 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 44.4 p -94.84 35.62 1.24 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.164 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 18.1 ttmt -160.38 143.42 13.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.496 ' CE2' ' HB3' ' A' ' 58' ' ' ASN . 51.8 t80 -142.94 156.71 44.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.889 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.924 HG23 ' O ' ' A' ' 24' ' ' VAL . 93.6 m -139.46 130.42 26.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.154 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 20.9 mt -86.45 120.44 36.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.103 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 40.9 p -97.92 128.99 44.86 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.151 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 95.01 72.78 1.17 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.49 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 51.1 mt -137.96 135.32 18.61 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.684 0.754 . . . . 0.0 110.871 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.718 ' O ' HG11 ' A' ' 102' ' ' VAL . 53.5 Cg_endo -69.75 153.51 68.89 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.644 2.23 . . . . 0.0 112.34 179.849 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 43.2 m -79.56 144.39 33.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.154 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 39.0 t70 66.87 37.55 4.0 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.81 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.418 ' O ' HG12 ' A' ' 102' ' ' VAL . . . -119.33 149.81 41.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.128 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 2.8 mtmp? -111.88 125.23 53.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.403 ' C ' HD12 ' A' ' 78' ' ' ILE . 2.8 pp -129.52 153.89 39.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.097 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 89.3 m-85 -101.47 136.41 41.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.907 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 71.8 t -117.08 131.98 68.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.119 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.548 ' HG2' ' CZ3' ' A' ' 54' ' ' TRP . 0.2 OUTLIER -146.42 124.96 12.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.624 HG23 ' HG2' ' A' ' 11' ' ' PRO . 10.2 m -105.88 161.01 5.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.153 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 19.8 ttpt -154.88 148.77 25.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -101.65 142.11 33.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.119 179.792 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 2.8 t -132.37 132.64 60.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.139 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 -146.52 -178.52 6.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.866 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -47.13 -50.51 20.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.094 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -53.62 -25.82 19.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.117 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 140.11 -116.98 1.24 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.527 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -144.42 155.77 43.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.817 0.341 . . . . 0.0 111.089 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 92.6 p -101.15 169.59 8.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.859 -179.803 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -65.72 141.8 97.92 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.668 0.747 . . . . 0.0 110.871 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 145.76 57.98 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.692 2.262 . . . . 0.0 112.353 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 38.9 tptt -103.27 99.35 9.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.886 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -81.83 133.7 35.35 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.933 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' TYR . . . . . 0.502 ' CD1' ' O ' ' A' ' 98' ' ' GLN . 1.9 t80 -77.1 129.68 36.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 30.7 t -42.0 -72.37 0.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.825 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' GLN . . . . . 0.502 ' O ' ' CD1' ' A' ' 96' ' ' TYR . 3.6 pt20 -103.83 148.77 36.34 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.549 0.69 . . . . 0.0 110.919 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 158.51 56.72 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.7 2.267 . . . . 0.0 112.327 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 11.3 mt -100.04 139.35 21.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.109 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.497 ' O ' ' N ' ' A' ' 103' ' ' LYS . 9.8 tp -107.07 99.12 8.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.718 HG11 ' O ' ' A' ' 73' ' ' PRO . 7.3 p -50.72 86.55 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.125 179.83 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 0.497 ' N ' ' O ' ' A' ' 101' ' ' LEU . 35.8 tptt -140.94 155.37 46.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.867 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -97.78 147.67 24.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.887 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' SER . . . . . 0.445 ' O ' ' C ' ' A' ' 106' ' ' GLY . 31.5 t -107.31 98.63 8.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.841 -179.743 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' GLY . . . . . 0.445 ' C ' ' O ' ' A' ' 105' ' ' SER . . . -34.38 145.83 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.489 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 171.94 13.52 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.709 2.273 . . . . 0.0 112.353 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 3.6 m -169.34 148.12 3.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.874 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 67.4 m -52.29 136.77 30.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.851 -179.788 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.473 -179.976 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.451 -0.26 . . . . 0.0 112.451 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.8 t -171.18 154.41 4.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.845 0.355 . . . . 0.0 110.882 -179.758 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.8 t -49.84 124.34 9.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.894 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -104.34 72.62 0.25 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.47 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.4 t -122.36 96.52 5.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.859 0.361 . . . . 0.0 110.828 -179.727 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.412 ' HB2' ' C ' ' A' ' 89' ' ' GLY . 5.1 t -108.5 160.18 16.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.855 -179.837 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -113.4 41.11 2.3 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.459 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.6 p -140.58 145.88 37.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.804 0.335 . . . . 0.0 111.154 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.5 m -80.13 149.64 70.04 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.647 0.737 . . . . 0.0 110.865 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 160.15 50.78 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.67 2.247 . . . . 0.0 112.336 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.517 ' HD3' ' HB2' ' A' ' 84' ' ' ALA . 53.8 Cg_endo -69.8 131.66 21.64 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.672 2.248 . . . . 0.0 112.316 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 69.8 p -114.87 -178.81 3.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.122 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 19.4 mt 57.01 37.05 28.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.949 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.467 HD13 ' O ' ' A' ' 14' ' ' LEU . 2.4 tm? -83.39 108.98 16.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.947 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.418 HG22 ' N ' ' A' ' 16' ' ' VAL . 35.5 m -143.61 154.5 43.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.138 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.539 HG22 ' SD ' ' A' ' 26' ' ' MET . 11.1 t -76.34 104.31 4.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.147 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -53.2 -61.07 2.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.897 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.2 m -155.96 150.05 25.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.859 -179.77 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.52 HG13 HG12 ' A' ' 24' ' ' VAL . 54.8 t -129.27 148.06 33.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.13 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.412 ' C ' ' N ' ' A' ' 22' ' ' THR . 19.6 m -147.24 148.16 31.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.132 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 85.2 m-20 -44.0 -22.66 0.06 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.855 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.412 ' N ' ' C ' ' A' ' 20' ' ' THR . 23.8 p -81.4 -69.64 0.59 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.145 -179.876 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.576 HG21 ' HA ' ' A' ' 70' ' ' THR . 71.4 p -141.27 168.93 18.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.131 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.52 HG12 HG13 ' A' ' 19' ' ' VAL . 35.2 m -105.83 153.73 7.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.136 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 29.1 m -129.09 126.54 39.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.149 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.539 ' SD ' HG22 ' A' ' 16' ' ' VAL . 28.5 mmm -118.19 163.3 16.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.89 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 10.4 ptm180 -146.56 151.45 37.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.893 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 27.2 p90 -160.52 176.73 11.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.927 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 19.2 mtt180 -131.57 158.05 76.43 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.639 0.733 . . . . 0.0 110.876 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 169.74 18.17 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.715 2.277 . . . . 0.0 112.334 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.429 ' O ' ' C ' ' A' ' 32' ' ' ASP . 53.7 Cg_endo -69.74 141.44 45.3 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.712 2.275 . . . . 0.0 112.354 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.429 ' C ' ' O ' ' A' ' 31' ' ' PRO . 10.8 m-20 -35.36 -51.84 0.61 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.864 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 50.2 m80 -131.53 159.45 38.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.832 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 2.6 mm -110.94 107.41 22.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.136 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -47.4 173.53 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.49 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.98 -36.67 84.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.79 0.329 . . . . 0.0 111.058 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -53.86 -32.17 52.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.155 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 82.22 118.15 0.52 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.498 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -76.3 140.06 41.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.847 0.356 . . . . 0.0 110.888 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -118.98 94.09 4.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.806 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 46.93 -156.48 0.64 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.511 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.483 ' N ' ' CD1' ' A' ' 42' ' ' TYR . 0.1 OUTLIER -146.38 177.35 9.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.955 0.407 . . . . 0.0 110.921 -179.826 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 19.9 t -133.86 131.82 56.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.144 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.401 HD23 ' N ' ' A' ' 45' ' ' GLU . 7.3 tt -119.6 137.96 53.52 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.918 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.401 ' N ' HD23 ' A' ' 44' ' ' LEU . 21.4 mt-10 -141.82 147.13 36.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.881 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 13.7 p90 -129.12 138.71 51.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.89 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.552 ' HB2' ' CE3' ' A' ' 54' ' ' TRP . 12.0 t -109.53 116.64 32.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.941 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -67.2 163.27 20.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.927 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -66.61 -43.55 84.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.897 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -92.57 57.82 2.64 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.518 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 2.9 p -152.04 166.38 31.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.757 0.313 . . . . 0.0 111.147 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -124.02 4.22 8.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.907 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -143.95 144.99 31.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.839 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.552 ' CE3' ' HB2' ' A' ' 47' ' ' CYS . 96.5 m95 -66.17 157.96 29.96 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.957 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 12.2 mt -119.59 145.0 26.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.141 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.459 HG12 ' O ' ' A' ' 58' ' ' ASN . 73.6 t -94.35 126.44 46.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.11 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -91.95 -43.37 9.49 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.11 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.459 ' O ' HG12 ' A' ' 56' ' ' VAL . 8.2 p-10 -82.13 158.85 23.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.847 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 10.0 tppt? -84.45 -51.77 6.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.917 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -125.57 -65.7 0.99 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.864 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 23.6 mt -144.96 171.74 14.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.919 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.589 HG22 ' O ' ' A' ' 64' ' ' LYS . 52.6 mt -116.75 102.31 13.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.107 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -64.58 -61.41 2.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.589 ' O ' HG22 ' A' ' 62' ' ' ILE . 6.2 mtpm? -65.78 154.49 38.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 81.5 p -87.94 40.79 0.96 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.165 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 14.5 ttmt -160.13 140.93 12.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.862 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.508 ' CD1' ' N ' ' A' ' 68' ' ' THR . 10.2 t80 -137.67 156.1 48.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.893 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.508 ' N ' ' CD1' ' A' ' 67' ' ' PHE . 40.0 m -140.21 111.19 6.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.121 -179.887 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 46.6 mt -67.13 105.17 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.162 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.576 ' HA ' HG21 ' A' ' 23' ' ' THR . 35.9 p -82.73 131.58 35.2 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.12 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 91.21 71.84 1.22 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.483 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 10.9 mt -131.23 125.66 21.05 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.63 0.728 . . . . 0.0 110.918 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 128.54 16.21 Favored 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 122.714 2.276 . . . . 0.0 112.356 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.524 HG22 ' N ' ' A' ' 75' ' ' ASP . 89.7 m -50.57 159.29 0.53 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.112 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.524 ' N ' HG22 ' A' ' 74' ' ' THR . 1.2 p30 46.33 47.44 13.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.886 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.598 ' O ' HG12 ' A' ' 102' ' ' VAL . . . -126.93 142.4 51.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.086 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 64.2 mttt -102.64 141.18 35.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.401 HD12 ' C ' ' A' ' 78' ' ' ILE . 2.8 pp -148.14 -179.58 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.091 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 69.1 m-85 -127.97 149.57 50.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.857 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.698 HG23 HD13 ' A' ' 100' ' ' ILE . 96.7 t -128.4 120.99 54.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.118 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.603 ' NE ' ' CD1' ' A' ' 95' ' ' TYR . 34.2 mmt-85 -130.03 132.22 46.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.856 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 22.5 m -126.34 137.73 56.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.157 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 28.6 pttt -139.15 136.07 34.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.934 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.517 ' HB2' ' HD3' ' A' ' 11' ' ' PRO . . . -66.96 125.46 26.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.1 179.839 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 97.8 t -111.38 116.31 52.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.134 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.476 ' N ' ' ND2' ' A' ' 86' ' ' ASN . 0.1 OUTLIER -123.12 174.2 7.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.874 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.21 -39.24 93.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.052 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -69.15 -52.1 31.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.052 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' GLY . . . . . 0.412 ' C ' ' HB2' ' A' ' 6' ' ' SER . . . -179.17 177.24 48.33 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.504 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -102.11 159.28 15.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.785 0.326 . . . . 0.0 111.131 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.3 t -102.72 161.84 13.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.85 -179.784 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 19.4 pt-20 -47.52 143.3 5.66 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.703 0.764 . . . . 0.0 110.863 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 138.3 37.6 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.741 2.294 . . . . 0.0 112.316 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 12.8 tptp -86.54 111.4 20.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.91 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' TYR . . . . . 0.603 ' CD1' ' NE ' ' A' ' 81' ' ' ARG . 31.1 m-85 -93.59 108.09 19.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.956 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' TYR . . . . . 0.409 ' CD1' ' N ' ' A' ' 97' ' ' SER . 2.5 t80 -62.07 137.22 58.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.924 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' SER . . . . . 0.409 ' N ' ' CD1' ' A' ' 96' ' ' TYR . 30.5 t -40.99 -74.88 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.836 -179.847 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 -106.54 154.63 39.83 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.603 0.716 . . . . 0.0 110.877 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 154.64 67.6 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.68 2.253 . . . . 0.0 112.338 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.698 HD13 HG23 ' A' ' 80' ' ' VAL . 2.6 mp -92.53 127.37 44.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.118 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 16.7 tp -103.01 115.95 31.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.903 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.613 HG13 ' O ' ' A' ' 102' ' ' VAL . 7.2 p -65.97 76.45 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.13 179.797 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 20.3 tptp -139.15 142.21 38.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.89 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.449 ' HG2' ' N ' ' A' ' 105' ' ' SER . 40.5 tt0 -62.56 164.9 6.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.865 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' SER . . . . . 0.449 ' N ' ' HG2' ' A' ' 104' ' ' GLU . 33.0 t -124.87 86.94 2.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 -179.84 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -62.16 145.66 49.34 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.508 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 104.89 1.39 Allowed 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.679 2.253 . . . . 0.0 112.305 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 81.6 p -59.3 133.91 56.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.853 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 84.5 p -146.65 148.34 31.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.869 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.461 -179.957 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.366 0 N-CA-C 112.523 -0.231 . . . . 0.0 112.523 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 93.0 p -112.28 153.72 26.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.861 0.363 . . . . 0.0 110.915 -179.804 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.0 t -63.37 141.11 58.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 175.86 -119.31 0.7 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.521 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.7 m -48.46 128.93 15.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.878 0.37 . . . . 0.0 110.887 -179.734 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.4 m -70.43 178.27 3.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.83 -179.754 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -83.77 -21.33 57.98 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.512 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.583 HG22 ' H ' ' A' ' 9' ' ' SER . 0.6 OUTLIER -102.42 173.09 6.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.796 0.331 . . . . 0.0 111.146 -179.89 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.583 ' H ' HG22 ' A' ' 8' ' ' THR . 9.2 t -90.62 142.22 27.75 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.657 0.742 . . . . 0.0 110.92 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 169.72 18.18 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.699 2.266 . . . . 0.0 112.352 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 129.52 17.71 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.666 2.244 . . . . 0.0 112.333 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 57.1 p -110.44 -178.33 3.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.125 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.537 HD12 HH11 ' A' ' 29' ' ' ARG . 29.8 mt 50.31 48.82 21.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.87 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.437 HD13 ' C ' ' A' ' 14' ' ' LEU . 3.2 tm? -83.61 111.53 19.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.461 ' CG2' ' N ' ' A' ' 16' ' ' VAL . 4.7 m -151.87 155.89 39.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.127 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.595 HG21 HG12 ' A' ' 100' ' ' ILE . 21.8 t -71.61 141.41 16.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.126 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -100.64 -45.09 5.62 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.851 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.7 t -153.91 159.1 41.61 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.831 -179.726 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.504 HG13 HG12 ' A' ' 24' ' ' VAL . 90.5 t -147.99 130.58 7.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.139 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.654 HG22 ' H ' ' A' ' 21' ' ' ASP . 0.6 OUTLIER -125.86 176.32 7.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.101 -179.936 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.654 ' H ' HG22 ' A' ' 20' ' ' THR . 35.8 p-10 -82.99 4.78 24.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.873 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.2 p -121.37 -47.56 2.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.136 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.451 HG22 ' HA ' ' A' ' 70' ' ' THR . 44.8 p -145.95 160.63 41.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.127 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.518 ' CG2' HD12 ' A' ' 69' ' ' ILE . 13.3 m -117.53 147.1 21.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.102 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 5.2 m -113.51 147.26 38.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.179 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.414 ' SD ' HG22 ' A' ' 16' ' ' VAL . 91.0 mmm -130.94 159.96 35.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.913 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 8.0 ptm180 -148.75 154.78 40.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.866 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 27.0 p90 -160.38 177.9 10.12 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.943 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.537 HH11 HD12 ' A' ' 13' ' ' LEU . 0.1 OUTLIER -123.33 143.21 40.61 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.642 0.734 . . . . 0.0 110.861 -179.949 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.472 ' N ' ' HG3' ' A' ' 29' ' ' ARG . 53.5 Cg_endo -69.77 165.62 30.36 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.698 2.265 . . . . 0.0 112.315 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 139.03 39.19 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.68 2.253 . . . . 0.0 112.329 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -55.43 -41.92 73.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.858 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 15.2 t60 -113.01 163.97 14.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 16.8 mm -128.64 126.4 65.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.12 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.572 ' H ' HG23 ' A' ' 8' ' ' THR . . . -56.15 149.0 27.74 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.457 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -47.32 -42.29 20.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.76 0.314 . . . . 0.0 111.062 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.39 -37.34 80.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.11 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 113.59 173.62 18.58 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.491 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.585 HD12 ' OD1' ' A' ' 86' ' ' ASN . 9.5 tp -115.1 137.37 52.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.804 0.335 . . . . 0.0 110.924 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -122.99 95.72 4.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.866 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.415 ' C ' ' CG ' ' A' ' 42' ' ' TYR . . . 38.88 -147.42 0.13 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.492 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.415 ' CG ' ' C ' ' A' ' 41' ' ' GLY . 1.1 m-85 -154.62 170.49 21.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.945 0.402 . . . . 0.0 110.895 -179.787 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.411 HG21 HG21 ' A' ' 85' ' ' VAL . 59.7 t -124.62 128.34 73.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.166 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.734 HD23 ' N ' ' A' ' 45' ' ' GLU . 9.5 tt -120.07 158.39 26.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.734 ' N ' HD23 ' A' ' 44' ' ' LEU . 28.4 mt-10 -161.1 173.49 15.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.921 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 21.8 p90 -149.83 137.02 19.7 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.906 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.585 ' HB2' ' CE3' ' A' ' 54' ' ' TRP . 19.2 t -107.65 104.1 13.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.881 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -61.8 141.36 57.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.92 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -51.57 140.26 18.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.899 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 90.35 -49.98 3.26 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.509 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 64.7 p -79.17 120.08 23.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.725 0.298 . . . . 0.0 111.168 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 22.2 tp10 -87.14 26.75 1.13 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.916 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -124.92 119.87 30.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.888 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.585 ' CE3' ' HB2' ' A' ' 47' ' ' CYS . 96.6 m95 -64.26 128.48 35.97 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.893 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 5.2 mp -96.26 123.55 48.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.109 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 92.7 t -67.84 122.47 19.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.121 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -89.17 -51.22 5.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.078 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.484 ' HB3' ' CE1' ' A' ' 67' ' ' PHE . 11.9 p-10 -108.75 125.55 52.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.864 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 11.3 ttpp -73.43 -45.25 55.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.845 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -102.07 156.68 17.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.876 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 13.9 mt -46.49 156.08 0.2 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.948 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.582 HG22 ' H ' ' A' ' 64' ' ' LYS . 52.0 mt -104.78 112.34 38.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.117 179.859 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -91.31 33.79 0.97 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.85 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.582 ' H ' HG22 ' A' ' 62' ' ' ILE . 7.7 mmtp -142.36 150.57 40.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.881 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 2.0 p -81.53 9.57 7.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.122 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 5.2 mtmp? -140.5 167.21 22.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.854 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.484 ' CE1' ' HB3' ' A' ' 58' ' ' ASN . 55.4 t80 -161.75 143.78 11.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.857 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 79.8 m -127.28 123.42 36.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.127 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.518 HD12 ' CG2' ' A' ' 24' ' ' VAL . 17.1 mt -79.89 129.67 37.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.153 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.451 ' HA ' HG22 ' A' ' 23' ' ' THR . 82.6 p -107.07 134.64 49.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.155 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 91.14 62.53 1.22 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.482 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.411 HD23 ' HA ' ' A' ' 72' ' ' LEU . 26.0 mt -127.7 131.52 23.86 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.575 0.703 . . . . 0.0 110.918 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.73 ' O ' HG11 ' A' ' 102' ' ' VAL . 54.1 Cg_endo -69.7 156.23 64.05 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.701 2.268 . . . . 0.0 112.366 179.828 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 71.2 m -79.44 140.97 37.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.202 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 8.8 t70 65.33 48.48 2.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.899 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.555 ' O ' HG12 ' A' ' 102' ' ' VAL . . . -132.51 144.23 50.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.115 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 21.4 mtpt -102.16 135.7 43.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.567 HD12 ' C ' ' A' ' 78' ' ' ILE . 2.5 pp -140.65 154.11 21.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.149 179.871 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.401 ' HB3' ' NH1' ' A' ' 81' ' ' ARG . 64.2 m-85 -98.61 161.54 13.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.876 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.494 ' O ' ' NE ' ' A' ' 81' ' ' ARG . 65.9 t -140.93 116.43 6.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.149 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.516 ' CG ' ' CH2' ' A' ' 54' ' ' TRP . 16.1 mmp_? -121.83 125.55 46.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.847 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 34.1 m -119.0 129.73 74.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.113 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 20.4 pttt -134.09 165.04 25.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.878 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -101.98 124.14 47.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.105 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.411 HG21 HG21 ' A' ' 43' ' ' VAL . 59.4 t -117.33 121.85 68.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.135 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.585 ' OD1' HD12 ' A' ' 39' ' ' LEU . 0.3 OUTLIER -147.15 179.87 7.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 -179.946 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -42.63 -57.35 2.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.102 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -43.48 -51.12 6.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.115 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 162.84 -125.5 1.41 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.493 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -141.7 151.14 42.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.778 0.323 . . . . 0.0 111.155 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 21.6 m -101.12 154.9 18.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.863 -179.77 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -51.69 148.41 9.92 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.611 0.72 . . . . 0.0 110.919 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 134.11 27.04 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.685 2.257 . . . . 0.0 112.295 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 9.1 tmtt? -90.52 108.87 20.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.922 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' TYR . . . . . 0.48 ' HA ' ' NE ' ' A' ' 81' ' ' ARG . 74.7 m-85 -82.16 105.96 13.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.915 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' TYR . . . . . 0.596 ' CD2' ' O ' ' A' ' 98' ' ' GLN . 9.7 t80 -51.7 152.12 3.0 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.951 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 12.5 m -52.84 -69.9 0.1 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.844 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' GLN . . . . . 0.596 ' O ' ' CD2' ' A' ' 96' ' ' TYR . 10.2 mm100 -117.56 151.43 48.29 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.574 0.702 . . . . 0.0 110.931 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 162.11 43.31 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.708 2.272 . . . . 0.0 112.342 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.595 HG12 HG21 ' A' ' 16' ' ' VAL . 12.1 mt -101.56 147.79 8.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.111 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.485 ' O ' ' N ' ' A' ' 103' ' ' LYS . 25.8 tp -121.8 99.69 6.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.73 HG11 ' O ' ' A' ' 73' ' ' PRO . 7.3 p -49.18 87.77 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.11 179.841 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 0.485 ' N ' ' O ' ' A' ' 101' ' ' LEU . 20.6 tptm -144.32 147.68 33.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.911 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -80.89 159.9 24.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.864 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 4.8 m -106.53 66.32 0.69 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.851 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 166.29 74.38 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.508 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -6.9 19.73 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.687 2.258 . . . . 0.0 112.311 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 2.9 t -65.71 113.01 3.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.905 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 12.1 t -127.73 151.94 48.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.886 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.502 -179.961 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.2 p -170.69 153.8 4.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.901 0.381 . . . . 0.0 110.841 -179.736 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.9 t -96.06 -56.91 2.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.862 -179.813 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 121.77 -81.4 0.34 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.471 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.9 t -170.93 126.16 0.69 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.917 0.389 . . . . 0.0 110.913 -179.737 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 93.6 p -66.63 -11.34 53.23 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.881 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.42 -51.81 2.4 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.484 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.572 HG23 ' HA ' ' A' ' 34' ' ' ILE . 5.8 m -87.73 161.2 17.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.759 0.314 . . . . 0.0 111.179 -179.886 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.437 ' N ' HG22 ' A' ' 8' ' ' THR . 2.2 m -88.32 149.88 45.72 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.627 0.727 . . . . 0.0 110.898 -179.845 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.75 168.49 21.4 Favored 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.704 2.269 . . . . 0.0 112.358 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 133.36 25.33 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.696 2.264 . . . . 0.0 112.33 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 66.4 p -122.14 174.38 6.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.106 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 12.8 mt 54.38 49.81 17.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.95 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.589 HD12 ' HD1' ' A' ' 96' ' ' TYR . 3.1 tm? -82.22 126.29 31.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.933 179.836 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.474 ' CG2' ' N ' ' A' ' 16' ' ' VAL . 4.5 m -149.92 156.93 42.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.155 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.793 HG22 ' SD ' ' A' ' 26' ' ' MET . 10.5 t -81.28 108.78 14.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.165 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -57.57 -48.46 79.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.905 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.5 t -157.34 174.65 15.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.519 HG12 ' O ' ' A' ' 103' ' ' LYS . 76.0 t -150.74 132.28 5.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.119 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.48 ' O ' ' N ' ' A' ' 22' ' ' THR . 2.9 m -140.28 132.15 27.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.147 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 16.5 p30 -39.55 -25.79 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.885 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.48 ' N ' ' O ' ' A' ' 20' ' ' THR . 72.8 p -83.0 -49.71 9.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.179 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 39.1 p -151.95 169.48 22.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.14 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.548 ' O ' HG23 ' A' ' 68' ' ' THR . 33.8 m -119.75 151.45 22.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.146 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.9 m -118.99 124.88 48.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.166 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.793 ' SD ' HG22 ' A' ' 16' ' ' VAL . 95.8 mmm -123.45 134.72 53.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.907 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.492 ' O ' HD22 ' A' ' 14' ' ' LEU . 25.1 ptt180 -126.38 161.06 28.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.867 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.525 ' CD2' ' O ' ' A' ' 65' ' ' THR . 40.1 p90 -145.36 177.25 8.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.931 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 8.2 mmm180 -117.77 151.25 48.36 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.616 0.722 . . . . 0.0 110.851 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 153.13 69.15 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.697 2.265 . . . . 0.0 112.301 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 138.46 37.77 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.679 2.253 . . . . 0.0 112.356 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 15.5 t0 -53.02 -41.62 64.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.853 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.403 ' ND1' ' N ' ' A' ' 34' ' ' ILE . 63.9 t-80 -111.89 157.55 20.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.849 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.572 ' HA ' HG23 ' A' ' 8' ' ' THR . 25.6 mm -125.51 94.93 2.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.15 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -41.3 144.87 0.63 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.484 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -38.74 -57.76 1.16 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.789 0.328 . . . . 0.0 111.116 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -38.5 -43.8 0.88 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.07 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 98.83 125.84 5.46 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.476 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.446 HD21 ' CZ ' ' A' ' 42' ' ' TYR . 5.1 tp -76.6 124.46 27.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.863 0.363 . . . . 0.0 110.915 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.428 ' N ' ' OD1' ' A' ' 40' ' ' ASP . 0.2 OUTLIER -111.76 95.28 5.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 179.841 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.658 ' HA3' HD13 ' A' ' 61' ' ' LEU . . . 58.83 -145.27 43.48 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.481 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.633 ' CD1' ' C ' ' A' ' 41' ' ' GLY . 3.9 m-85 -156.63 -175.09 5.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.92 0.39 . . . . 0.0 110.93 -179.794 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 94.7 t -140.69 135.65 34.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.13 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.547 HD12 ' CG1' ' A' ' 82' ' ' VAL . 5.6 tp -110.09 153.99 23.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.935 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -157.17 142.47 17.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.915 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 8.6 p90 -142.0 136.02 29.87 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.969 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.545 ' HB2' ' CD2' ' A' ' 54' ' ' TRP . 1.5 t -108.96 115.42 30.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.895 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -62.8 164.36 8.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.892 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -72.64 -51.71 18.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.893 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.426 ' O ' ' CG2' ' A' ' 51' ' ' THR . . . -79.03 46.04 2.88 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.481 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.426 ' CG2' ' O ' ' A' ' 50' ' ' GLY . 72.3 p -158.43 164.99 35.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.81 0.338 . . . . 0.0 111.12 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -122.77 15.13 10.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.937 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 41.1 m-20 -125.65 155.26 41.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.854 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.545 ' CD2' ' HB2' ' A' ' 47' ' ' CYS . 75.6 m95 -100.65 110.66 22.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.945 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 12.0 mt -76.48 137.37 22.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.129 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.58 HG12 ' O ' ' A' ' 58' ' ' ASN . 92.8 t -89.27 119.9 37.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.134 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.504 ' CB ' HD23 ' A' ' 44' ' ' LEU . . . -74.42 -57.98 3.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.057 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.58 ' O ' HG12 ' A' ' 56' ' ' VAL . 17.9 t-20 -74.22 171.19 14.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 -179.868 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 24.1 tptt -113.96 -67.72 0.98 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -102.13 -73.03 0.67 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.813 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.658 HD13 ' HA3' ' A' ' 41' ' ' GLY . 0.7 OUTLIER -152.81 135.68 15.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.92 -179.943 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.438 HD11 ' HB2' ' A' ' 58' ' ' ASN . 8.7 mt -87.34 107.15 16.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.125 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -53.91 -41.45 67.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.839 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 27.2 mtmt -81.02 162.12 23.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.923 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.525 ' O ' ' CD2' ' A' ' 28' ' ' TRP . 11.0 p -87.27 16.92 4.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.169 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.479 ' HA ' ' CZ3' ' A' ' 28' ' ' TRP . 4.6 ptpp? -144.72 -177.77 5.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.892 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.574 ' CD1' ' N ' ' A' ' 68' ' ' THR . 12.0 t80 -165.52 153.04 10.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.877 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.574 ' N ' ' CD1' ' A' ' 67' ' ' PHE . 85.9 m -129.23 118.05 21.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.143 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.486 ' HB ' HD11 ' A' ' 72' ' ' LEU . 18.2 mt -73.5 109.33 5.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.127 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 30.4 p -85.35 133.63 34.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.138 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 86.34 77.27 1.23 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.468 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.486 HD11 ' HB ' ' A' ' 69' ' ' ILE . 30.9 mt -136.4 133.34 19.26 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.633 0.73 . . . . 0.0 110.856 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.42 ' HG2' ' CB ' ' A' ' 76' ' ' ALA . 53.7 Cg_endo -69.84 131.37 21.0 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.685 2.257 . . . . 0.0 112.287 179.867 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 25.6 m -60.39 138.47 57.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.098 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 22.3 t70 68.57 42.8 1.45 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.46 ' O ' HG12 ' A' ' 102' ' ' VAL . . . -122.11 139.51 53.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.104 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 50.7 mttt -99.03 127.54 44.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 8.0 pt -138.78 163.34 27.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.132 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 67.9 m-85 -101.3 162.33 12.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.834 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 90.1 t -144.81 127.8 11.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.147 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.554 ' CD ' ' CE1' ' A' ' 95' ' ' TYR . 4.7 mtm105 -144.23 131.36 20.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.547 ' CG1' HD12 ' A' ' 44' ' ' LEU . 3.4 m -119.67 149.37 22.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.159 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.52 ' HD2' HG23 ' A' ' 85' ' ' VAL . 0.1 OUTLIER -150.57 154.6 37.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.925 179.888 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -81.35 138.29 35.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.144 179.833 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.52 HG23 ' HD2' ' A' ' 83' ' ' LYS . 96.3 t -136.1 126.8 42.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.175 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -145.22 -179.89 6.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -44.95 -50.3 10.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.087 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -51.63 -55.49 19.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.098 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 173.36 -138.02 4.4 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.482 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -128.87 170.83 12.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.84 0.352 . . . . 0.0 111.101 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 58.3 p -112.95 169.33 9.0 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.858 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -61.58 143.32 93.7 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.592 0.711 . . . . 0.0 110.913 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.415 ' HB2' ' NH1' ' A' ' 81' ' ' ARG . 53.7 Cg_endo -69.77 145.66 57.79 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.71 2.273 . . . . 0.0 112.288 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 6.7 tmtm? -106.99 123.88 48.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.915 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' TYR . . . . . 0.554 ' CE1' ' CD ' ' A' ' 81' ' ' ARG . 6.9 m-85 -104.12 114.59 28.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.865 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' TYR . . . . . 0.589 ' HD1' HD12 ' A' ' 14' ' ' LEU . 27.3 t80 -60.38 171.14 1.13 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.962 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' SER . . . . . 0.454 ' N ' ' CD2' ' A' ' 96' ' ' TYR . 64.9 m -73.42 -73.57 0.21 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.842 -179.841 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -102.65 149.58 36.88 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.58 0.705 . . . . 0.0 110.943 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 137.34 35.29 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.689 2.259 . . . . 0.0 112.328 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.67 HD12 ' H ' ' A' ' 100' ' ' ILE . 3.8 mp -79.7 131.67 33.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.141 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 11.5 tp -109.95 104.02 12.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.878 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.519 HG13 ' O ' ' A' ' 102' ' ' VAL . 3.6 p -53.62 94.79 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.102 179.839 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 0.519 ' O ' HG12 ' A' ' 19' ' ' VAL . 31.8 tptt -144.99 148.4 33.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.526 ' CD ' ' N ' ' A' ' 105' ' ' SER . 16.6 tm-20 -91.87 164.21 13.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.964 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' SER . . . . . 0.526 ' N ' ' CD ' ' A' ' 104' ' ' GLU . 4.4 m -118.95 79.38 1.39 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.881 -179.803 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' GLY . . . . . 0.491 ' N ' ' OE1' ' A' ' 104' ' ' GLU . . . -116.19 84.09 0.36 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.511 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -34.94 13.61 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.69 2.26 . . . . 0.0 112.329 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 83.8 p -155.01 123.02 5.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.916 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 8.1 t -82.69 125.72 31.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.827 -179.793 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.531 179.98 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.2 t -73.77 -51.56 16.05 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.871 0.367 . . . . 0.0 110.855 -179.73 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 70.4 m -115.25 154.42 29.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.91 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -153.05 66.43 0.33 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.51 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 83.8 p -140.43 120.53 13.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.874 0.369 . . . . 0.0 110.88 -179.761 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.7 t -134.96 161.51 35.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.803 -179.788 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -77.95 -37.29 29.77 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.443 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.47 HG23 ' HA ' ' A' ' 34' ' ' ILE . 1.6 m -86.37 164.19 17.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.816 0.341 . . . . 0.0 111.125 -179.831 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.406 ' H ' HG22 ' A' ' 8' ' ' THR . 39.9 m -93.22 149.45 37.45 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.661 0.743 . . . . 0.0 110.858 -179.82 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 169.9 17.82 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.731 2.287 . . . . 0.0 112.364 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 130.29 19.05 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.689 2.26 . . . . 0.0 112.338 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 79.6 p -110.96 -175.33 2.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.099 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 29.9 mt 47.3 48.96 15.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.916 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.462 ' CD1' ' CD2' ' A' ' 96' ' ' TYR . 2.4 tm? -81.75 110.53 17.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.916 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.5 t -145.44 158.06 43.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.109 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.787 HG22 ' SD ' ' A' ' 26' ' ' MET . 4.6 t -89.09 120.07 37.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.146 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -77.45 -60.18 2.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.865 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.426 ' O ' HG23 ' A' ' 19' ' ' VAL . 2.2 t -126.76 166.54 17.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.857 -179.74 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.426 HG23 ' O ' ' A' ' 18' ' ' SER . 53.0 t -157.14 120.55 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.172 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.509 ' O ' HG23 ' A' ' 102' ' ' VAL . 0.8 OUTLIER -120.96 152.11 38.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.145 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -60.25 -10.78 5.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.845 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -105.52 -48.77 3.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.175 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.908 HG22 ' HA ' ' A' ' 70' ' ' THR . 58.1 p -135.09 163.11 30.64 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.165 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.497 ' CG2' HD12 ' A' ' 69' ' ' ILE . 4.6 m -130.18 130.89 65.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.144 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 37.9 m -102.01 144.95 29.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.134 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.787 ' SD ' HG22 ' A' ' 16' ' ' VAL . 77.8 mmm -132.06 134.47 45.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.864 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 9.5 ptt180 -115.4 151.35 34.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.88 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.477 ' CD2' ' O ' ' A' ' 65' ' ' THR . 11.7 p90 -159.1 167.56 28.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.899 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.478 ' HG3' ' N ' ' A' ' 30' ' ' PRO . 0.7 OUTLIER -119.77 143.2 34.52 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.553 0.692 . . . . 0.0 110.899 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.478 ' N ' ' HG3' ' A' ' 29' ' ' ARG . 53.5 Cg_endo -69.81 168.9 20.3 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.663 2.242 . . . . 0.0 112.33 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.488 ' HG2' HD13 ' A' ' 34' ' ' ILE . 54.1 Cg_endo -69.71 136.65 33.66 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.71 2.273 . . . . 0.0 112.355 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -40.88 -44.56 2.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.874 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 5.2 t-80 -125.14 162.16 25.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.856 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.488 HD13 ' HG2' ' A' ' 31' ' ' PRO . 3.2 mm -123.52 102.99 12.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.111 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.424 ' C ' ' O ' ' A' ' 34' ' ' ILE . . . -36.02 143.89 0.11 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.496 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.417 ' C ' ' O ' ' A' ' 35' ' ' GLY . . . -36.75 -47.98 0.7 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.735 0.303 . . . . 0.0 111.11 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.75 ' HB1' ' HB3' ' A' ' 87' ' ' ALA . . . -42.67 -48.56 5.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.12 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 115.42 160.94 12.84 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.518 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.472 ' HB2' HG23 ' A' ' 34' ' ' ILE . 4.6 tp -106.63 127.55 53.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.819 0.343 . . . . 0.0 110.918 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.486 ' O ' HD22 ' A' ' 61' ' ' LEU . 0.2 OUTLIER -121.77 94.85 4.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.844 179.852 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 46.41 -160.7 0.23 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.495 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.432 ' CD1' ' N ' ' A' ' 42' ' ' TYR . 0.3 OUTLIER -148.71 163.76 36.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.936 0.398 . . . . 0.0 110.918 -179.783 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 98.9 t -107.99 136.76 42.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.154 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.9 tt -134.56 129.31 34.84 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.945 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -137.21 148.43 46.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 6.4 p90 -127.11 141.79 51.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.955 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 19.9 t -111.83 103.22 11.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.909 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -60.06 152.91 22.9 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -64.54 136.39 56.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 94.8 -35.41 4.25 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.528 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 50.3 p -88.65 123.02 32.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.718 0.294 . . . . 0.0 111.173 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.6 mp0 -89.02 29.71 1.02 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.894 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -130.64 132.68 45.59 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.822 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.589 ' CH2' ' HG2' ' A' ' 81' ' ' ARG . 83.5 m95 -79.99 117.54 20.92 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 16.8 mt -88.25 131.51 35.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.122 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 84.8 t -79.15 124.42 37.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.138 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -86.17 -60.53 1.98 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.087 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 13.1 p-10 -70.38 143.25 51.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.847 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -72.47 -60.77 2.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.915 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -115.92 -73.57 0.64 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.858 179.84 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.486 HD22 ' O ' ' A' ' 40' ' ' ASP . 7.3 mt -142.8 154.4 44.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.908 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.549 HG22 ' O ' ' A' ' 64' ' ' LYS . 14.7 mt -99.59 110.68 27.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.147 179.806 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -64.41 -60.02 3.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.842 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.549 ' O ' HG22 ' A' ' 62' ' ' ILE . 66.2 mttt -75.27 157.49 34.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.477 ' O ' ' CD2' ' A' ' 28' ' ' TRP . 29.8 p -81.74 7.06 13.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.132 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -121.56 143.18 49.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.938 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 25.1 t80 -138.15 145.6 41.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.893 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 91.9 m -133.57 127.66 33.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.203 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.497 HD12 ' CG2' ' A' ' 24' ' ' VAL . 10.7 mt -93.25 128.28 44.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.154 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.908 ' HA ' HG22 ' A' ' 23' ' ' THR . 25.5 p -104.5 140.01 38.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.155 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 86.06 63.7 1.51 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.46 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 61.3 mt -125.12 128.78 24.72 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.65 0.738 . . . . 0.0 110.913 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 128.54 16.22 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.737 2.291 . . . . 0.0 112.376 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.424 HG22 ' N ' ' A' ' 75' ' ' ASP . 22.7 m -54.55 155.87 3.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.147 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.424 ' N ' HG22 ' A' ' 74' ' ' THR . 0.9 OUTLIER 54.74 35.28 23.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 179.934 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.652 ' O ' HG12 ' A' ' 102' ' ' VAL . . . -114.8 130.67 56.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.087 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.471 ' HG2' HD13 ' A' ' 101' ' ' LEU . 40.6 mttm -95.99 121.89 38.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.927 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.579 HD12 ' C ' ' A' ' 78' ' ' ILE . 2.1 pp -134.89 157.16 40.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.192 179.837 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.4 ' HB3' ' NH1' ' A' ' 81' ' ' ARG . 94.2 m-85 -101.92 160.74 14.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.84 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.45 ' O ' ' NE ' ' A' ' 81' ' ' ARG . 79.7 t -141.63 115.97 5.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.17 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.589 ' HG2' ' CH2' ' A' ' 54' ' ' TRP . 15.5 mmp_? -118.68 136.8 53.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.854 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 7.9 m -128.8 134.61 64.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.1 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.434 ' NZ ' ' O ' ' A' ' 91' ' ' SER . 0.0 OUTLIER -132.99 174.25 10.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.895 179.902 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -110.58 142.26 42.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.076 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 18.1 t -139.04 123.64 20.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.143 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.541 ' OD1' ' HB3' ' A' ' 88' ' ' ALA . 2.1 p30 -147.97 170.04 18.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.939 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.75 ' HB3' ' HB1' ' A' ' 37' ' ' ALA . . . -36.33 -41.73 0.29 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.065 179.87 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.541 ' HB3' ' OD1' ' A' ' 86' ' ' ASN . . . -56.69 -62.06 2.0 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.105 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 178.32 -132.87 2.01 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.455 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -135.81 150.11 49.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.754 0.312 . . . . 0.0 111.066 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.434 ' O ' ' NZ ' ' A' ' 83' ' ' LYS . 12.7 t -108.14 162.54 13.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.84 -179.799 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -65.7 141.38 97.76 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.61 0.719 . . . . 0.0 110.893 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 145.08 55.99 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.691 2.261 . . . . 0.0 112.313 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 8.3 tmtt? -86.59 119.78 27.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.905 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' TYR . . . . . 0.474 ' HA ' ' NE ' ' A' ' 81' ' ' ARG . 47.0 m-85 -90.55 109.49 20.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.949 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' TYR . . . . . 0.536 ' CE2' HG23 ' A' ' 16' ' ' VAL . 0.9 OUTLIER -61.15 123.24 17.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.912 -179.915 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 97' ' ' SER . . . . . 0.438 ' C ' ' O ' ' A' ' 96' ' ' TYR . 57.7 p -34.9 -70.18 0.09 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.89 -179.873 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -106.14 156.15 37.3 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.621 0.724 . . . . 0.0 110.874 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 166.75 26.55 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.716 2.277 . . . . 0.0 112.346 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.409 HG12 HG21 ' A' ' 16' ' ' VAL . 6.3 mt -112.31 122.67 66.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.12 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.471 HD13 ' HG2' ' A' ' 77' ' ' LYS . 14.7 tp -98.23 108.81 21.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.957 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.652 HG12 ' O ' ' A' ' 76' ' ' ALA . 0.9 OUTLIER -61.24 92.16 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.148 179.849 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 0.412 ' O ' HG12 ' A' ' 19' ' ' VAL . 23.8 tptp -138.98 152.04 47.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.913 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -90.2 156.27 18.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.892 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 90.7 p -113.11 43.43 1.71 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 -179.771 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -124.05 87.05 0.38 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.515 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -23.78 30.36 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.668 2.246 . . . . 0.0 112.307 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 9.3 t -89.42 124.84 34.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.86 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 4.3 m -89.64 148.19 23.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.812 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.473 -179.996 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 56.9 p -158.95 160.03 35.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.906 0.384 . . . . 0.0 110.836 -179.693 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.0 t -106.65 119.62 39.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.84 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 132.49 138.5 4.12 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.479 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.1 m -103.93 155.51 18.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.863 0.363 . . . . 0.0 110.884 -179.755 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 91.3 p -60.05 152.67 23.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.888 -179.821 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -83.0 -42.07 8.3 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.485 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.462 HG22 ' N ' ' A' ' 9' ' ' SER . 20.9 m -95.27 158.61 15.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.805 0.336 . . . . 0.0 111.185 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.462 ' N ' HG22 ' A' ' 8' ' ' THR . 1.3 t -79.29 149.38 72.42 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.651 0.738 . . . . 0.0 110.881 -179.862 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 169.32 19.25 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.656 2.237 . . . . 0.0 112.37 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 119.67 6.58 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.642 2.228 . . . . 0.0 112.336 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 66.1 p -110.01 -176.67 3.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.144 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 47.0 mt 50.16 50.26 18.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.967 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -89.31 110.5 21.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.917 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.7 t -139.77 154.81 47.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.104 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.541 HG11 HG23 ' A' ' 19' ' ' VAL . 17.5 t -75.23 116.03 17.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.123 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -69.62 -59.38 3.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 48.2 m -154.83 132.86 11.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.831 -179.738 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.541 HG23 HG11 ' A' ' 16' ' ' VAL . 40.6 t -110.02 128.45 66.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.082 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -125.4 144.3 50.58 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.143 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -54.32 -21.38 9.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.909 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 20.9 p -92.2 -51.48 5.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.154 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 81.3 p -144.4 161.91 37.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.137 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.751 ' O ' HG23 ' A' ' 68' ' ' THR . 35.0 m -108.97 151.12 11.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.118 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 17.6 m -126.22 121.78 33.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.155 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 98.6 mmm -111.32 168.52 9.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.863 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 1.6 ptp180 -149.44 150.0 31.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.826 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 21.8 p90 -158.41 158.7 34.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.888 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 23.6 mtt-85 -114.63 158.4 40.35 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.631 0.729 . . . . 0.0 110.889 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 163.98 36.23 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.657 2.238 . . . . 0.0 112.366 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.419 ' O ' ' C ' ' A' ' 32' ' ' ASP . 53.5 Cg_endo -69.75 146.9 61.65 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.745 2.297 . . . . 0.0 112.333 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.419 ' C ' ' O ' ' A' ' 31' ' ' PRO . 5.0 t70 -35.42 -44.38 0.29 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.919 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 23.1 p-80 -148.93 167.25 26.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.847 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 15.3 mm -106.61 129.92 59.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.141 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -62.75 158.5 36.67 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.451 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -49.69 -44.18 47.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.793 0.33 . . . . 0.0 111.095 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.743 ' HB1' ' HB3' ' A' ' 87' ' ' ALA . . . -54.16 -36.06 62.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.128 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 113.63 -171.42 13.82 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.481 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.509 HD12 ' OD1' ' A' ' 86' ' ' ASN . 9.3 tp -133.64 130.99 39.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.825 0.345 . . . . 0.0 110.9 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.49 ' O ' HD22 ' A' ' 61' ' ' LEU . 11.6 m-20 -115.77 94.42 4.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.861 179.856 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.447 ' C ' ' O ' ' A' ' 40' ' ' ASP . . . 34.02 -147.7 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.511 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.551 ' O ' HD23 ' A' ' 61' ' ' LEU . 6.0 m-85 -148.4 -176.37 5.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.941 0.401 . . . . 0.0 110.945 -179.82 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 61.0 t -138.83 141.41 36.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.168 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.561 HD12 ' CG1' ' A' ' 82' ' ' VAL . 5.8 tp -126.62 139.09 53.44 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.91 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.471 ' OE1' ' N ' ' A' ' 45' ' ' GLU . 2.4 mp0 -145.91 135.87 23.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.856 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 21.2 p90 -124.72 137.41 54.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.925 -179.814 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.539 ' HB2' ' CD2' ' A' ' 54' ' ' TRP . 11.0 t -105.38 116.6 32.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.885 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -66.06 173.25 3.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.3 pp20? -95.44 13.5 25.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -124.32 -3.97 7.82 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.507 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 20.2 p -133.04 141.58 48.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.766 0.317 . . . . 0.0 111.141 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 57.5 mm-40 -88.96 28.34 1.19 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.869 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 33.1 m-20 -136.69 149.39 47.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.856 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.562 ' CZ3' ' HG2' ' A' ' 81' ' ' ARG . 92.1 m95 -84.56 132.31 34.53 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.947 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 5.2 mp -96.29 135.43 30.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.106 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 85.5 t -84.48 131.94 32.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.092 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -96.64 -58.29 2.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.064 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 18.5 p-10 -62.19 130.18 44.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.8 mppt? -61.86 -46.4 89.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.888 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -133.29 -67.73 0.61 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.846 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.551 HD23 ' O ' ' A' ' 42' ' ' TYR . 6.8 mt -149.39 143.27 25.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.884 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 7.4 mt -89.91 121.08 39.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.152 179.813 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -82.32 -56.05 4.14 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.886 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.2 mppt? -62.39 173.21 1.26 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.842 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 3.9 p -97.94 15.57 23.56 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.137 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 36.2 mttp -140.78 166.81 23.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.921 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.535 ' CD1' HD22 ' A' ' 44' ' ' LEU . 24.0 t80 -165.46 138.27 4.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.824 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.751 HG23 ' O ' ' A' ' 24' ' ' VAL . 91.4 m -120.61 120.17 35.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.104 -179.887 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.461 HD12 ' CG2' ' A' ' 24' ' ' VAL . 31.4 mt -72.1 114.24 10.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.079 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 40.0 p -91.78 130.01 37.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.184 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 97.33 72.17 1.08 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.5 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 81.1 mt -137.1 123.34 13.41 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.58 0.705 . . . . 0.0 110.899 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.468 ' O ' HG11 ' A' ' 102' ' ' VAL . 54.0 Cg_endo -69.7 133.24 25.19 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.692 2.262 . . . . 0.0 112.343 179.844 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 91.5 m -56.11 145.57 25.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.19 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 21.4 t0 65.46 36.29 6.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.885 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.459 ' O ' HD12 ' A' ' 101' ' ' LEU . . . -118.49 146.57 44.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.088 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 76.7 mttt -105.14 136.59 44.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.851 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 8.2 pt -146.87 151.6 13.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.127 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 81.3 m-85 -102.34 144.34 30.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 70.8 t -117.16 142.7 29.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.124 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.562 ' HG2' ' CZ3' ' A' ' 54' ' ' TRP . 0.2 OUTLIER -154.26 149.36 26.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.877 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.561 ' CG1' HD12 ' A' ' 44' ' ' LEU . 11.2 m -141.7 154.48 19.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.12 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.533 ' HZ1' ' HB1' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -149.23 158.77 44.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.877 179.93 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -98.58 128.55 44.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.052 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 91.5 t -117.24 117.73 56.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.117 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.509 ' OD1' HD12 ' A' ' 39' ' ' LEU . 0.1 OUTLIER -138.81 164.46 29.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.863 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.743 ' HB3' ' HB1' ' A' ' 37' ' ' ALA . . . -37.74 -52.59 1.27 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.126 179.879 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -40.53 -44.92 2.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.143 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 159.03 -106.31 0.28 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.516 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.533 ' HB1' ' HZ1' ' A' ' 83' ' ' LYS . . . -152.56 154.09 34.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.814 0.34 . . . . 0.0 111.038 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.1 m -102.34 166.77 10.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.856 -179.778 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -62.1 152.46 77.84 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.633 0.73 . . . . 0.0 110.889 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.528 ' HB2' ' CZ ' ' A' ' 95' ' ' TYR . 54.0 Cg_endo -69.77 150.18 67.81 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.649 2.233 . . . . 0.0 112.35 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 12.2 tptm -122.62 127.9 49.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' TYR . . . . . 0.528 ' CZ ' ' HB2' ' A' ' 93' ' ' PRO . 12.4 m-85 -127.11 136.89 52.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.922 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 19.5 t80 -70.04 175.51 4.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.942 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 12.3 m -71.05 -68.36 0.44 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.88 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 51.0 mt-30 -107.22 155.62 39.05 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.568 0.699 . . . . 0.0 110.951 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 146.98 61.66 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.717 2.278 . . . . 0.0 112.327 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.679 HD12 ' N ' ' A' ' 100' ' ' ILE . 2.9 mp -91.89 127.68 44.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.136 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.459 HD12 ' O ' ' A' ' 76' ' ' ALA . 9.5 tp -102.99 115.67 31.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.928 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.675 HG13 ' O ' ' A' ' 102' ' ' VAL . 8.1 p -60.37 89.65 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.153 179.867 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 0.432 ' O ' HG12 ' A' ' 19' ' ' VAL . 20.5 tptp -139.12 151.62 46.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.915 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 6.5 tm-20 -90.02 154.73 19.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 72.0 m -111.4 96.4 6.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.843 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -124.42 84.78 0.36 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.487 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 129.76 18.16 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.699 2.266 . . . . 0.0 112.336 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 75.5 p -117.9 159.23 23.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.836 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 93.6 p -41.76 152.65 0.07 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.847 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.507 179.997 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.7 p -113.4 -50.82 2.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.868 0.366 . . . . 0.0 110.853 -179.74 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.2 t -90.95 95.82 10.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.84 -179.798 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -84.24 95.66 1.93 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.496 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.1 m -103.77 -43.89 5.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.87 0.367 . . . . 0.0 110.853 -179.74 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.3 t -53.8 100.48 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.865 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.497 ' H ' ' HB2' ' A' ' 36' ' ' ALA . . . -77.04 11.15 16.43 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.477 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -101.96 149.03 24.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.83 0.347 . . . . 0.0 111.158 -179.856 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.8 p -85.34 148.78 50.65 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.703 0.763 . . . . 0.0 110.851 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.68 168.06 22.54 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.696 2.264 . . . . 0.0 112.366 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.44 ' HG2' HG23 ' A' ' 82' ' ' VAL . 54.1 Cg_endo -69.77 120.95 7.65 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.711 2.274 . . . . 0.0 112.35 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 43.2 p -100.66 173.27 6.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.15 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 50.5 mt 56.31 52.7 9.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.925 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.429 HD13 ' C ' ' A' ' 14' ' ' LEU . 3.0 tm? -88.31 114.96 25.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.92 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 9.4 m -155.25 146.91 23.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.185 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.951 HG22 ' SD ' ' A' ' 26' ' ' MET . 97.6 t -68.59 114.4 5.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.154 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 44.0 t0 -65.27 -49.9 67.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 72.6 m -144.64 166.25 25.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.909 -179.779 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.593 ' CG2' HG11 ' A' ' 16' ' ' VAL . 92.7 t -148.25 123.38 2.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.158 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.461 ' O ' ' N ' ' A' ' 22' ' ' THR . 7.7 m -131.0 133.13 45.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.155 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -40.43 -25.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.861 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.461 ' N ' ' O ' ' A' ' 20' ' ' THR . 27.4 p -86.91 -57.91 2.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.122 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 61.8 p -137.2 168.84 18.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.2 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.63 ' CG2' HD12 ' A' ' 69' ' ' ILE . 33.0 m -123.44 147.34 27.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.146 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 4.3 m -112.87 124.14 51.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.137 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.951 ' SD ' HG22 ' A' ' 16' ' ' VAL . 69.8 mmm -111.69 154.28 25.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.844 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 5.8 ptm180 -148.13 147.17 29.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.837 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 40.9 p90 -147.94 170.12 18.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.966 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.497 ' CD ' ' HD2' ' A' ' 30' ' ' PRO . 4.5 tpt180 -116.0 140.25 26.05 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.596 0.713 . . . . 0.0 110.871 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.497 ' HD2' ' CD ' ' A' ' 29' ' ' ARG . 53.8 Cg_endo -69.85 169.94 17.86 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.661 2.241 . . . . 0.0 112.337 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.428 ' HG2' HD11 ' A' ' 34' ' ' ILE . 53.9 Cg_endo -69.69 152.06 69.61 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.701 2.267 . . . . 0.0 112.383 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -62.49 -40.38 96.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.856 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 25.2 m80 -131.03 167.77 18.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.912 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.428 HD11 ' HG2' ' A' ' 31' ' ' PRO . 4.0 mm -134.92 144.83 33.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.14 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.419 ' O ' ' N ' ' A' ' 37' ' ' ALA . . . -161.77 -58.88 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.465 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.637 ' HB1' ' HB3' ' A' ' 88' ' ' ALA . . . -46.42 93.3 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.781 0.324 . . . . 0.0 111.111 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.651 ' CB ' ' HB3' ' A' ' 87' ' ' ALA . . . 35.7 35.31 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.071 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.416 ' N ' ' O ' ' A' ' 36' ' ' ALA . . . 59.8 152.59 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.476 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.714 HD21 ' CZ ' ' A' ' 42' ' ' TYR . 8.2 tp -80.24 132.38 35.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.832 0.348 . . . . 0.0 110.935 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -118.29 95.9 5.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.834 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 48.69 -162.04 0.52 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.483 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.714 ' CZ ' HD21 ' A' ' 39' ' ' LEU . 20.8 m-85 -143.0 175.33 9.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.919 0.39 . . . . 0.0 110.943 -179.78 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.403 ' O ' ' NH2' ' A' ' 81' ' ' ARG . 55.0 t -135.86 125.95 41.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.106 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.422 HD23 ' N ' ' A' ' 45' ' ' GLU . 10.1 tt -122.75 143.91 49.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.906 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.422 ' N ' HD23 ' A' ' 44' ' ' LEU . 17.9 mt-10 -142.35 170.44 15.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.402 ' CE1' ' HB ' ' A' ' 55' ' ' ILE . 6.9 p90 -147.78 131.42 16.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.86 -179.849 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.518 ' HB2' ' CD2' ' A' ' 54' ' ' TRP . 9.3 t -103.5 111.46 23.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.863 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -75.69 135.73 40.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.888 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -59.94 120.3 9.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.873 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 100.88 33.57 4.95 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.511 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 74.8 p -126.94 173.21 9.8 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.756 0.312 . . . . 0.0 111.154 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -95.75 -38.1 10.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.879 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -139.74 154.24 47.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.518 ' CD2' ' HB2' ' A' ' 47' ' ' CYS . 21.0 m95 -51.78 178.22 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.402 ' HB ' ' CE1' ' A' ' 46' ' ' TYR . 19.0 mt -130.85 119.59 45.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.098 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.414 HG12 ' O ' ' A' ' 58' ' ' ASN . 77.9 t -65.92 119.41 10.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.136 179.851 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -87.61 -54.08 4.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.105 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.414 ' O ' HG12 ' A' ' 56' ' ' VAL . 31.0 p-10 -76.21 158.51 31.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.884 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 71.4 mttt -76.84 -73.33 0.29 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.858 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -110.1 -66.75 1.04 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.861 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 21.6 mt -149.59 151.23 33.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.856 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.411 HG22 ' O ' ' A' ' 64' ' ' LYS . 15.9 mt -98.31 108.31 21.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.103 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -61.06 -51.87 67.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.411 ' O ' HG22 ' A' ' 62' ' ' ILE . 46.4 mtmt -74.44 168.84 18.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.902 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 76.0 p -91.4 10.08 29.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.14 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 25.5 mtpt -125.39 156.52 38.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.912 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 32.3 t80 -150.57 156.86 42.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.896 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 97.1 m -137.16 117.89 14.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.154 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.63 HD12 ' CG2' ' A' ' 24' ' ' VAL . 11.0 mt -78.9 117.96 25.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.133 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 27.7 p -94.83 132.89 39.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.123 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 89.83 75.86 1.3 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.521 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 19.1 mt -137.64 124.22 13.37 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.58 0.705 . . . . 0.0 110.917 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.78 127.13 14.14 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.677 2.251 . . . . 0.0 112.343 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 9.4 m -53.52 143.5 19.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.092 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 26.9 t0 68.66 31.8 4.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -115.15 137.32 52.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.127 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 53.8 mttp -101.66 131.12 48.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.908 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 13.5 pt -138.73 153.31 25.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.199 179.832 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 49.6 m-85 -101.27 125.56 47.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.856 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 59.2 t -113.57 143.23 23.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.126 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.512 ' NE ' ' O ' ' A' ' 81' ' ' ARG . 0.0 OUTLIER -156.1 147.13 22.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.837 -179.959 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.44 HG23 ' HG2' ' A' ' 11' ' ' PRO . 28.1 m -131.68 165.07 32.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.094 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.407 ' HE3' ' CG2' ' A' ' 85' ' ' VAL . 0.0 OUTLIER -158.67 170.71 21.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 179.908 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -94.5 143.38 26.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.074 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.407 ' CG2' ' HE3' ' A' ' 83' ' ' LYS . 86.7 t -138.89 123.73 21.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.109 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -143.99 168.79 19.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.952 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.651 ' HB3' ' CB ' ' A' ' 37' ' ' ALA . . . -53.62 -21.43 6.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.153 179.856 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.637 ' HB3' ' HB1' ' A' ' 36' ' ' ALA . . . -77.52 -56.85 4.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.132 179.876 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -179.68 -168.44 38.51 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.454 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -113.62 162.37 16.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.803 0.335 . . . . 0.0 111.107 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 64.5 p -112.52 154.72 25.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.891 -179.799 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -48.94 143.84 8.06 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.612 0.72 . . . . 0.0 110.878 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 139.77 40.79 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.64 2.227 . . . . 0.0 112.336 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 31.1 tptt -98.91 99.45 10.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 -80.92 124.59 29.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.914 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' TYR . . . . . 0.435 ' O ' ' C ' ' A' ' 97' ' ' SER . 2.3 t80 -67.53 127.15 31.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.943 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 96' ' ' TYR . 73.4 m -35.18 -73.72 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.901 -179.86 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' GLN . . . . . 0.425 ' O ' ' CD1' ' A' ' 96' ' ' TYR . 3.6 pt20 -101.99 151.76 38.07 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.571 0.7 . . . . 0.0 110.917 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 151.39 69.44 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.698 2.265 . . . . 0.0 112.368 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.433 HD12 ' N ' ' A' ' 100' ' ' ILE . 4.7 mp -90.93 133.29 33.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.106 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.409 ' O ' ' N ' ' A' ' 103' ' ' LYS . 14.4 tp -109.25 102.19 11.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.924 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.603 HG13 ' O ' ' A' ' 102' ' ' VAL . 7.2 p -57.43 85.49 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.113 179.814 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 0.409 ' N ' ' O ' ' A' ' 101' ' ' LEU . 10.5 tptp -137.95 137.87 38.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 9.4 tm-20 -78.82 160.99 27.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.846 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 74.7 m -39.69 -51.34 2.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.83 -179.794 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 128.05 -156.75 20.89 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.46 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.407 ' O ' ' C ' ' A' ' 108' ' ' SER . 53.7 Cg_endo -69.74 2.8 3.2 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.664 2.243 . . . . 0.0 112.353 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 107' ' ' PRO . 9.7 t -37.32 122.33 0.89 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.834 -179.829 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 2.2 m -100.87 130.21 46.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.87 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.481 -179.989 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.5 p -130.89 175.07 9.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.85 0.357 . . . . 0.0 110.917 -179.786 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.5 t -115.36 -44.89 2.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.843 -179.804 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 156.11 -132.59 3.38 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.518 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 55.4 p -62.52 163.57 8.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.887 0.375 . . . . 0.0 110.848 -179.798 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.8 t -113.71 -32.23 6.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.862 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 115.9 -24.73 9.95 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.483 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.424 HG22 ' H ' ' A' ' 9' ' ' SER . 1.7 m -105.45 164.56 11.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.779 0.323 . . . . 0.0 111.17 -179.859 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.424 ' H ' HG22 ' A' ' 8' ' ' THR . 24.9 m -86.02 149.98 51.57 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.696 0.76 . . . . 0.0 110.851 -179.834 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 167.13 25.34 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.678 2.252 . . . . 0.0 112.341 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.51 ' HD3' ' HB2' ' A' ' 84' ' ' ALA . 54.1 Cg_endo -69.7 128.02 15.48 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.687 2.258 . . . . 0.0 112.368 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 60.5 p -111.09 -175.15 2.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.108 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 29.4 mt 53.27 41.26 32.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -81.83 112.2 18.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.935 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 4.1 m -150.59 151.86 33.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.118 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.551 HG22 ' SD ' ' A' ' 26' ' ' MET . 3.3 t -74.53 119.73 22.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.128 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 43.4 t0 -77.64 -49.91 13.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.863 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.4 t -148.79 162.64 39.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 -179.747 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 95.7 t -144.48 122.58 5.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.146 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.49 HG22 ' H ' ' A' ' 22' ' ' THR . 17.1 m -120.25 144.35 47.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.151 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -54.97 -17.83 4.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.835 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.49 ' H ' HG22 ' A' ' 20' ' ' THR . 1.4 m -96.8 -49.68 4.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.183 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 19.2 p -143.02 167.04 23.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.143 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.909 ' O ' HG23 ' A' ' 68' ' ' THR . 19.4 m -117.01 162.38 15.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.155 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 12.6 m -132.99 115.53 15.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.171 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.551 ' SD ' HG22 ' A' ' 16' ' ' VAL . 58.1 mmm -111.28 123.88 51.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.888 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 1.8 ptp180 -109.4 154.02 23.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.912 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.483 ' CZ3' HD12 ' A' ' 44' ' ' LEU . 16.8 p90 -160.23 170.74 20.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.911 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 25.6 mtt180 -125.61 157.08 69.65 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.574 0.702 . . . . 0.0 110.911 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 165.53 30.6 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.666 2.244 . . . . 0.0 112.348 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.528 ' HG2' HD13 ' A' ' 34' ' ' ILE . 53.4 Cg_endo -69.81 141.73 45.81 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.643 2.229 . . . . 0.0 112.34 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.405 ' C ' ' O ' ' A' ' 31' ' ' PRO . 9.4 t70 -37.8 -46.9 0.97 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.907 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -128.21 163.81 23.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.807 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.528 HD13 ' HG2' ' A' ' 31' ' ' PRO . 19.7 mm -117.45 131.73 69.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.178 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.42 ' O ' ' N ' ' A' ' 38' ' ' GLY . . . -58.11 139.99 47.0 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.497 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -38.82 -36.0 0.24 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.794 0.331 . . . . 0.0 111.121 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.14 -45.31 94.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.093 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 35' ' ' GLY . . . 110.41 133.0 6.36 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.469 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.699 HD21 ' CZ ' ' A' ' 42' ' ' TYR . 4.2 tp -85.4 126.54 33.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.763 0.316 . . . . 0.0 110.936 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -110.44 96.01 5.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.86 179.827 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.895 ' HA3' HD13 ' A' ' 61' ' ' LEU . . . 55.09 -160.33 5.71 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.504 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.699 ' CZ ' HD21 ' A' ' 39' ' ' LEU . 9.8 m-85 -145.35 -177.78 5.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.916 0.389 . . . . 0.0 110.927 -179.818 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.639 HG23 HG21 ' A' ' 85' ' ' VAL . 20.5 t -135.43 126.53 44.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.163 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.507 HD13 ' HB3' ' A' ' 67' ' ' PHE . 8.2 tt -123.07 132.92 54.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.928 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.427 ' N ' HD23 ' A' ' 44' ' ' LEU . 12.8 mt-10 -140.65 159.93 41.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.875 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 4.7 p90 -139.61 134.95 32.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.929 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.427 ' HB2' ' CE3' ' A' ' 54' ' ' TRP . 27.3 t -101.55 115.94 31.65 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.859 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -70.06 136.23 50.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.41 ' HG3' ' N ' ' A' ' 50' ' ' GLY . 4.0 pt-20 -61.41 -29.13 69.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.887 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.41 ' N ' ' HG3' ' A' ' 49' ' ' GLU . . . -68.03 -13.54 64.47 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.486 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 51.3 p -128.36 -176.78 3.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.743 0.306 . . . . 0.0 111.161 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -128.79 30.78 5.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.879 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -136.57 153.12 51.06 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.835 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.556 ' CH2' ' HG3' ' A' ' 81' ' ' ARG . 96.1 m95 -84.15 119.63 25.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 37.3 mt -93.33 135.08 29.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.093 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 93.4 t -74.56 123.51 30.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.158 179.822 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -92.15 -40.92 10.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.12 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 9.8 p-10 -103.25 122.39 44.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.2 ttmp? -54.89 -53.38 56.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.435 ' O ' ' C ' ' A' ' 61' ' ' LEU . 3.6 m-20 -129.04 165.71 20.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.891 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.895 HD13 ' HA3' ' A' ' 41' ' ' GLY . 1.6 pp -34.64 135.28 0.18 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.923 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 21.2 mt -86.3 105.34 14.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.148 179.855 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 -57.03 -53.7 55.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.875 179.846 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.4 mppt? -65.96 179.59 0.87 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.918 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 8.3 p -109.89 19.95 18.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.157 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 13.0 ttpp -146.92 140.24 25.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.909 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.507 ' HB3' HD13 ' A' ' 44' ' ' LEU . 24.0 t80 -135.36 154.62 51.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.909 HG23 ' O ' ' A' ' 24' ' ' VAL . 78.1 m -138.65 115.02 10.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.143 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 25.0 mt -72.22 107.63 3.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.167 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 8.9 p -84.01 138.11 33.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.139 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 83.87 71.31 1.32 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.439 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 13.1 mt -128.27 131.3 23.7 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.607 0.718 . . . . 0.0 110.903 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.451 ' O ' HG11 ' A' ' 102' ' ' VAL . 53.9 Cg_endo -69.81 133.55 25.73 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.68 2.253 . . . . 0.0 112.354 179.838 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 12.2 m -60.82 149.57 35.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.104 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.8 t70 58.97 36.89 24.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.475 ' O ' HG12 ' A' ' 102' ' ' VAL . . . -115.48 138.04 51.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.107 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 55.5 mttp -99.15 130.35 45.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.911 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.435 HD12 ' C ' ' A' ' 78' ' ' ILE . 2.4 pp -142.0 160.67 20.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.164 179.874 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 85.0 m-85 -100.41 175.88 5.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.864 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.551 HG11 ' HG3' ' A' ' 26' ' ' MET . 95.6 t -154.96 116.44 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.136 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.559 ' HD2' ' CD1' ' A' ' 95' ' ' TYR . 13.1 mmp_? -129.13 122.19 29.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.884 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 26.1 m -114.68 129.08 71.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.128 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 10.0 ptpt -118.82 174.41 6.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.85 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.51 ' HB2' ' HD3' ' A' ' 11' ' ' PRO . . . -106.86 129.27 54.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.098 179.838 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.639 HG21 HG23 ' A' ' 43' ' ' VAL . 61.9 t -115.96 127.44 73.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.165 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.436 ' N ' ' ND2' ' A' ' 86' ' ' ASN . 0.2 OUTLIER -134.81 171.26 14.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.892 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -53.8 -40.56 66.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.129 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.68 -49.24 73.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.067 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -179.09 -122.16 0.75 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.529 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -156.02 153.79 30.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.773 0.321 . . . . 0.0 111.108 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 74.2 m -104.39 169.91 8.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.813 -179.762 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -62.89 142.68 97.4 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.621 0.724 . . . . 0.0 110.918 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 155.04 66.99 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.715 2.276 . . . . 0.0 112.362 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 9.4 tmtt? -87.71 115.86 25.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' TYR . . . . . 0.559 ' CD1' ' HD2' ' A' ' 81' ' ' ARG . 39.0 m-85 -91.0 105.41 17.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' TYR . . . . . 0.529 ' CD1' ' N ' ' A' ' 97' ' ' SER . 34.6 t80 -61.31 169.0 2.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.953 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' SER . . . . . 0.529 ' N ' ' CD1' ' A' ' 96' ' ' TYR . 35.5 t -66.25 -73.57 0.13 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.874 -179.804 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -114.28 161.45 28.28 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.63 0.729 . . . . 0.0 110.871 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 145.36 56.73 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.637 2.224 . . . . 0.0 112.359 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.574 HD12 ' H ' ' A' ' 100' ' ' ILE . 4.0 mp -86.58 147.32 5.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.163 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 13.6 tp -119.04 115.87 25.21 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.703 HG13 ' O ' ' A' ' 102' ' ' VAL . 10.0 p -62.75 82.82 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.119 179.854 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 19.7 tptt -140.66 132.24 27.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -64.92 158.65 24.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.894 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 37.6 m -124.76 108.16 11.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.858 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -148.64 70.63 0.32 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.496 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -7.08 20.13 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.686 2.257 . . . . 0.0 112.339 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 2.8 t -102.96 123.6 46.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.912 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 77.5 p -79.03 102.31 8.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.816 -179.767 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.507 179.989 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.447 -0.261 . . . . 0.0 112.447 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.9 p -50.2 149.09 3.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.855 0.359 . . . . 0.0 110.884 -179.716 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 73.1 m -81.77 -40.14 23.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.858 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 170.5 112.34 0.27 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.469 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.2 t -125.9 119.01 26.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.837 0.351 . . . . 0.0 110.851 -179.703 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.459 ' HA ' ' HB3' ' A' ' 88' ' ' ALA . 43.1 t -49.85 146.64 4.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 -179.827 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -117.21 22.5 10.32 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.442 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.636 HG23 ' HA ' ' A' ' 34' ' ' ILE . 6.6 m -88.3 161.0 17.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.825 0.345 . . . . 0.0 111.131 -179.874 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.449 ' N ' HG22 ' A' ' 8' ' ' THR . 1.0 OUTLIER -79.22 143.99 61.71 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.68 0.753 . . . . 0.0 110.831 -179.855 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 169.91 17.87 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.646 2.231 . . . . 0.0 112.336 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.531 ' HG2' HG23 ' A' ' 82' ' ' VAL . 53.9 Cg_endo -69.85 114.36 3.69 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.664 2.243 . . . . 0.0 112.333 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 37.9 p -103.3 173.51 6.27 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.155 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 83.2 mt 54.18 52.87 11.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.853 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.668 HD13 ' HD2' ' A' ' 96' ' ' TYR . 0.0 OUTLIER -80.77 109.01 14.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.924 179.863 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.473 HG22 ' N ' ' A' ' 16' ' ' VAL . 69.0 m -135.42 156.89 48.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.145 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.475 HG23 ' OH ' ' A' ' 96' ' ' TYR . 2.8 t -80.23 133.4 29.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.132 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -85.91 -48.86 8.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.842 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.5 t -155.93 165.15 37.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.87 -179.791 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.462 HG13 HG12 ' A' ' 24' ' ' VAL . 58.9 t -148.72 128.33 3.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.095 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.3 m -142.14 135.56 29.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.202 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 56.7 m-20 -38.89 -34.05 0.14 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.882 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 82.5 p -73.01 -49.17 30.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.124 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 81.2 p -155.34 166.73 32.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.146 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.462 HG12 HG13 ' A' ' 19' ' ' VAL . 30.6 m -121.96 142.31 38.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.137 179.857 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 27.7 m -108.59 142.49 38.96 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.086 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.436 ' SD ' HG13 ' A' ' 16' ' ' VAL . 77.9 mmm -129.63 139.04 51.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 27.3 ptt180 -133.33 144.09 49.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.879 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 45.1 p90 -142.82 172.5 12.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.912 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.491 ' CD ' ' HD2' ' A' ' 30' ' ' PRO . 6.2 tpt180 -106.66 139.35 20.27 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.575 0.702 . . . . 0.0 110.878 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.491 ' HD2' ' CD ' ' A' ' 29' ' ' ARG . 53.3 Cg_endo -69.76 164.38 34.76 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.708 2.272 . . . . 0.0 112.354 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.454 ' HG2' HD11 ' A' ' 34' ' ' ILE . 54.2 Cg_endo -69.82 130.16 18.78 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.681 2.254 . . . . 0.0 112.356 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 31' ' ' PRO . 2.6 p30 -37.06 -43.64 0.49 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.851 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.405 ' C ' HD12 ' A' ' 34' ' ' ILE . 89.8 m-70 -150.44 148.83 29.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.807 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.636 ' HA ' HG23 ' A' ' 8' ' ' THR . 0.7 OUTLIER -96.03 116.1 36.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.151 179.944 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.422 ' C ' ' O ' ' A' ' 34' ' ' ILE . . . -36.42 -86.47 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.468 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.466 ' O ' ' HB3' ' A' ' 37' ' ' ALA . . . -153.22 164.81 37.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.789 0.328 . . . . 0.0 111.109 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.79 ' HB1' ' HB3' ' A' ' 87' ' ' ALA . . . 69.67 25.0 5.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.099 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 59.05 -177.02 2.33 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.465 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.518 ' HA ' ' ND2' ' A' ' 86' ' ' ASN . 5.5 tp -120.14 131.27 54.96 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.823 0.344 . . . . 0.0 110.942 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.543 ' O ' HD22 ' A' ' 61' ' ' LEU . 0.4 OUTLIER -103.27 94.1 5.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.867 179.878 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.459 ' C ' ' CG ' ' A' ' 42' ' ' TYR . . . 33.8 -139.3 0.13 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.442 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.459 ' CG ' ' C ' ' A' ' 41' ' ' GLY . 0.2 OUTLIER -157.38 177.22 11.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.933 0.396 . . . . 0.0 110.893 -179.771 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.502 HG12 ' OE1' ' A' ' 45' ' ' GLU . 59.6 t -124.51 129.88 73.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.09 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 6.7 tt -128.9 130.34 46.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.917 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.502 ' OE1' HG12 ' A' ' 43' ' ' VAL . 1.5 mp0 -136.01 145.52 46.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.907 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 13.5 p90 -122.97 139.37 54.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.943 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.534 ' HB2' ' CD2' ' A' ' 54' ' ' TRP . 48.6 t -110.72 115.46 29.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.911 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -76.92 134.43 38.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.902 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -54.44 99.41 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.853 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 130.62 39.13 0.28 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.477 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 43.4 p -151.7 173.47 14.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.758 0.313 . . . . 0.0 111.187 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -121.13 -0.22 10.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.89 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 15.4 p-10 -138.0 138.98 39.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.92 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.534 ' CD2' ' HB2' ' A' ' 47' ' ' CYS . 69.1 m95 -70.44 133.92 47.3 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.941 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.477 ' H ' HD12 ' A' ' 55' ' ' ILE . 5.0 mp -83.05 112.78 21.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.113 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 92.8 t -56.85 122.56 6.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.119 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -90.91 -60.13 1.99 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.134 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 24.9 p-10 -71.67 157.46 37.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.925 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 16.9 tttp -87.77 -53.06 4.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.846 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -122.19 -71.36 0.73 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.886 179.881 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.543 HD22 ' O ' ' A' ' 40' ' ' ASP . 12.0 mt -151.88 148.83 28.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.978 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.764 HG22 ' O ' ' A' ' 64' ' ' LYS . 43.1 mt -92.93 106.65 18.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.144 179.835 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -58.39 -60.87 3.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.856 179.827 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.764 ' O ' HG22 ' A' ' 62' ' ' ILE . 31.2 mttp -75.76 162.25 28.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.954 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 29.8 p -87.32 37.03 0.76 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.131 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 22.1 ttmt -149.93 144.42 25.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 60.2 t80 -141.72 152.95 44.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.907 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 60.5 m -134.04 118.0 17.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.122 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 26.4 mt -75.95 118.17 21.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.145 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 55.5 p -93.88 138.69 31.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.092 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 77.2 75.49 0.92 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.522 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 22.3 mt -132.05 132.51 23.14 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.531 0.681 . . . . 0.0 110.926 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.523 ' O ' HG11 ' A' ' 102' ' ' VAL . 53.4 Cg_endo -69.79 147.2 62.18 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.697 2.265 . . . . 0.0 112.31 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.503 HG22 ' N ' ' A' ' 75' ' ' ASP . 24.8 m -69.86 160.33 31.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.164 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.503 ' N ' HG22 ' A' ' 74' ' ' THR . 0.6 OUTLIER 46.82 48.15 15.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.917 179.954 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.537 ' O ' HG12 ' A' ' 102' ' ' VAL . . . -125.79 149.07 48.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.064 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.467 ' HE2' ' CD2' ' A' ' 101' ' ' LEU . 29.6 mttm -114.45 126.11 54.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.895 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 7.1 pt -132.87 152.79 36.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.136 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -101.56 145.49 28.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.918 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.41 HG23 HD13 ' A' ' 100' ' ' ILE . 60.7 t -116.54 138.44 47.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.128 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.657 ' CZ ' ' CZ ' ' A' ' 95' ' ' TYR . 31.8 mmm-85 -137.57 129.94 29.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.531 HG23 ' HG2' ' A' ' 11' ' ' PRO . 13.2 m -126.13 134.5 66.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.169 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.645 ' NZ ' ' HB1' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -134.56 145.87 49.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 179.964 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.44 ' HB3' ' CB ' ' A' ' 91' ' ' SER . . . -81.59 141.0 34.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.144 179.782 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.477 HG23 ' CD ' ' A' ' 83' ' ' LYS . 77.0 t -141.02 126.39 18.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.121 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.518 ' ND2' ' HA ' ' A' ' 39' ' ' LEU . 2.3 m120 -132.74 169.12 17.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.906 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.79 ' HB3' ' HB1' ' A' ' 37' ' ' ALA . . . -49.74 -34.63 19.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.127 179.859 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.459 ' HB3' ' HA ' ' A' ' 6' ' ' SER . . . -60.1 -52.66 64.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.141 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -176.94 -110.98 0.28 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.453 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.645 ' HB1' ' NZ ' ' A' ' 83' ' ' LYS . . . -152.14 169.16 23.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.797 0.332 . . . . 0.0 111.121 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.44 ' CB ' ' HB3' ' A' ' 84' ' ' ALA . 1.4 t -124.32 168.0 13.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.856 -179.774 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -68.35 141.86 93.99 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.65 0.738 . . . . 0.0 110.875 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.406 ' CB ' HH21 ' A' ' 81' ' ' ARG . 54.4 Cg_endo -69.75 158.87 55.49 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.685 2.256 . . . . 0.0 112.365 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.425 ' NZ ' ' HB2' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -122.43 109.31 14.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 179.907 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 95' ' ' TYR . . . . . 0.657 ' CZ ' ' CZ ' ' A' ' 81' ' ' ARG . 44.4 m-85 -76.42 136.24 39.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' TYR . . . . . 0.668 ' HD2' HD13 ' A' ' 14' ' ' LEU . 35.7 t80 -74.65 162.83 28.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.945 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' SER . . . . . 0.586 ' N ' ' CD1' ' A' ' 96' ' ' TYR . 3.8 m -62.1 -75.35 0.07 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.868 -179.852 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' GLN . . . . . 0.431 ' O ' ' CD1' ' A' ' 96' ' ' TYR . 14.4 mm-40 -119.37 159.8 44.18 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.562 0.696 . . . . 0.0 110.915 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 137.28 35.14 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.687 2.258 . . . . 0.0 112.363 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.624 HD12 ' H ' ' A' ' 100' ' ' ILE . 4.2 mp -80.66 134.38 27.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.13 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.471 ' O ' ' N ' ' A' ' 103' ' ' LYS . 0.1 OUTLIER -100.69 103.81 15.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.941 179.856 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.537 HG12 ' O ' ' A' ' 76' ' ' ALA . 3.5 p -57.18 82.07 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.091 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 0.471 ' N ' ' O ' ' A' ' 101' ' ' LEU . 13.7 tptm -143.94 134.61 24.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.939 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.422 ' HG3' ' N ' ' A' ' 105' ' ' SER . 3.9 tp10 -87.98 156.66 19.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.9 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' SER . . . . . 0.422 ' N ' ' HG3' ' A' ' 104' ' ' GLU . 23.4 m 58.04 49.05 12.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.861 -179.833 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -111.63 -170.18 18.74 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.462 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 154.54 67.55 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.704 2.269 . . . . 0.0 112.305 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 4.7 m -62.35 -49.45 75.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 68.6 m -85.14 131.59 34.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.889 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.496 -179.954 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.4 p -163.68 161.08 23.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.882 0.372 . . . . 0.0 110.878 -179.704 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.0 m -71.66 84.8 0.89 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.866 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -166.73 -161.97 17.17 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.466 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.1 m -79.09 151.5 31.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.904 0.383 . . . . 0.0 110.895 -179.769 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 90.5 p -116.03 -59.15 2.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.848 -179.764 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 157.89 -51.96 0.41 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.514 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.653 HG21 ' HB2' ' A' ' 39' ' ' LEU . 16.8 p -85.63 154.73 21.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.789 0.328 . . . . 0.0 111.13 -179.878 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.6 m -79.34 149.81 72.9 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.68 0.752 . . . . 0.0 110.868 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 157.69 59.56 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.751 2.301 . . . . 0.0 112.33 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 120.26 7.07 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.693 2.262 . . . . 0.0 112.324 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 69.4 p -101.92 -178.94 3.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.123 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 34.8 mt 56.1 49.54 15.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.925 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.424 ' CD1' ' CD2' ' A' ' 96' ' ' TYR . 2.1 tm? -82.84 112.5 19.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.887 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 4.8 t -148.28 157.6 43.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.153 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 4.5 t -82.51 112.49 20.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.146 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -61.88 -47.73 83.66 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.837 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 10.7 p -159.33 161.03 35.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.851 -179.761 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 24.1 t -138.23 134.13 44.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.148 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.413 ' O ' ' C ' ' A' ' 21' ' ' ASP . 1.6 m -145.94 132.56 19.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.129 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.413 ' C ' ' O ' ' A' ' 20' ' ' THR . 3.0 p-10 -37.6 -33.09 0.06 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.401 ' N ' ' O ' ' A' ' 20' ' ' THR . 38.9 p -71.53 -53.77 12.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.137 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 80.9 p -152.46 169.34 22.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.165 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.431 ' CG2' HD12 ' A' ' 69' ' ' ILE . 20.4 m -118.39 142.94 30.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.141 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 10.7 m -111.35 143.65 41.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.152 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 77.8 mmm -130.18 160.61 33.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.858 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 9.0 ptm180 -149.85 130.76 14.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.881 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 30.1 p90 -132.76 165.98 23.28 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.855 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.492 ' CD ' ' HD2' ' A' ' 30' ' ' PRO . 5.1 tpt180 -114.89 139.77 24.64 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.569 0.699 . . . . 0.0 110.896 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.492 ' HD2' ' CD ' ' A' ' 29' ' ' ARG . 54.4 Cg_endo -69.7 167.69 23.65 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.651 2.234 . . . . 0.0 112.395 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 131.32 20.97 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.661 2.241 . . . . 0.0 112.374 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -40.25 -36.93 0.58 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.821 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 20.5 t60 -139.11 156.18 47.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.821 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.577 HD12 ' HB3' ' A' ' 39' ' ' LEU . 26.4 mm -102.7 115.27 44.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.165 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.575 ' H ' HG22 ' A' ' 8' ' ' THR . . . -48.26 177.51 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.462 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -68.0 -54.52 17.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.803 0.335 . . . . 0.0 111.106 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -44.68 -33.46 1.85 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.124 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.404 ' O ' ' CB ' ' A' ' 86' ' ' ASN . . . 97.91 143.62 15.28 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.496 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.653 ' HB2' HG21 ' A' ' 8' ' ' THR . 8.9 tp -90.46 142.14 28.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.806 0.336 . . . . 0.0 110.904 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 81.1 m-20 -128.06 100.16 5.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.857 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 39.66 -160.77 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.48 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.493 ' N ' ' CD1' ' A' ' 42' ' ' TYR . 0.3 OUTLIER -142.88 155.53 44.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.919 0.39 . . . . 0.0 110.907 -179.776 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 81.2 t -118.89 133.69 64.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.088 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.4 tt -128.95 133.16 47.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.963 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.413 ' OE1' ' N ' ' A' ' 45' ' ' GLU . 1.6 mp0 -134.48 153.07 52.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.839 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 9.5 p90 -132.61 131.8 41.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.926 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.5 ' HB2' ' CD2' ' A' ' 54' ' ' TRP . 47.2 t -105.13 104.71 14.5 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.886 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.461 ' HA ' HG22 ' A' ' 78' ' ' ILE . 4.1 t80 -49.41 174.37 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.928 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -77.83 131.68 37.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.923 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 82.39 -27.71 3.59 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.452 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -65.14 119.23 10.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.726 0.298 . . . . 0.0 111.119 -179.829 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -86.21 16.78 4.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.935 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -139.04 129.45 25.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.884 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.599 ' CE2' ' CZ ' ' A' ' 81' ' ' ARG . 75.5 m95 -68.08 151.62 46.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.957 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 18.2 mt -124.5 115.57 44.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.104 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 31.9 t -72.33 134.16 30.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.142 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -85.62 -43.84 13.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.121 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 21.6 p-10 -83.72 -176.4 6.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.858 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -113.91 -45.44 3.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.94 179.856 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.56 ' O ' HD23 ' A' ' 61' ' ' LEU . 0.1 OUTLIER -120.9 -63.61 1.32 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.89 179.861 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.56 HD23 ' O ' ' A' ' 60' ' ' ASP . 85.8 mt -153.86 -178.0 6.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.916 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 36.5 mt -128.05 106.97 15.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.164 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -86.27 47.47 1.47 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 179.833 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 30.2 mttm -159.58 157.04 29.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.941 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 15.5 p -90.75 19.62 5.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.127 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 12.7 mtmm -151.78 160.3 43.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.859 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 12.2 t80 -155.58 143.56 19.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.88 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 92.5 m -126.99 112.09 14.84 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.136 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.431 HD12 ' CG2' ' A' ' 24' ' ' VAL . 55.5 mt -66.26 108.87 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.161 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 29.0 p -83.77 131.9 34.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.105 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 84.36 84.27 0.96 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.481 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 6.2 mt -137.71 127.79 15.44 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.597 0.713 . . . . 0.0 110.917 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 128.76 16.47 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.635 2.223 . . . . 0.0 112.345 179.834 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 54.2 m -54.57 149.85 10.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.127 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 9.6 t70 60.7 32.94 20.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.884 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.599 ' O ' HG12 ' A' ' 102' ' ' VAL . . . -112.62 141.76 46.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.091 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.1 mmmm -109.97 131.64 54.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.474 HD12 ' C ' ' A' ' 78' ' ' ILE . 2.4 pp -139.47 159.31 28.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.11 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 92.7 m-85 -108.36 132.0 54.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.865 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.555 HG23 HD12 ' A' ' 100' ' ' ILE . 55.2 t -110.99 138.09 40.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.123 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.599 ' CZ ' ' CE2' ' A' ' 54' ' ' TRP . 19.1 ptt180 -153.3 139.31 18.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.892 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 7.5 m -127.53 156.46 39.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.109 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.08 133.22 10.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.894 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -59.47 148.51 32.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.122 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 57.3 t -139.25 118.15 12.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.121 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.404 ' CB ' ' O ' ' A' ' 38' ' ' GLY . 0.2 OUTLIER -128.98 179.0 5.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.904 179.953 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -48.78 -40.64 29.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.065 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.25 -57.08 11.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.106 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -178.91 -114.2 0.41 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.497 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -156.95 172.2 19.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.819 0.343 . . . . 0.0 111.124 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 25.5 m -105.46 169.18 8.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.85 -179.777 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -57.82 142.84 78.06 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.606 0.717 . . . . 0.0 110.873 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 127.74 14.97 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.671 2.248 . . . . 0.0 112.311 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 4.8 tmtm? -83.68 101.62 11.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.898 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -83.42 115.38 22.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.936 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' TYR . . . . . 0.424 ' CD2' ' CD1' ' A' ' 14' ' ' LEU . 0.2 OUTLIER -65.45 119.22 10.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.95 -179.898 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 97' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 96' ' ' TYR . 57.3 p -36.38 -63.74 0.37 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.83 -179.829 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -106.34 140.61 21.46 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.625 0.726 . . . . 0.0 110.915 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 164.37 34.84 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.675 2.25 . . . . 0.0 112.301 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.555 HD12 HG23 ' A' ' 80' ' ' VAL . 10.3 mt -98.2 144.84 10.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.098 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.9 tp -117.9 106.41 12.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.925 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.599 HG12 ' O ' ' A' ' 76' ' ' ALA . 1.6 p -65.64 90.83 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.126 179.856 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 7.1 tptm -142.13 138.38 31.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.434 ' HG2' ' N ' ' A' ' 105' ' ' SER . 24.3 tt0 -87.19 160.09 18.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.856 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' SER . . . . . 0.434 ' N ' ' HG2' ' A' ' 104' ' ' GLU . 46.9 t -133.04 81.5 1.94 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.841 -179.762 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 113.0 83.29 1.23 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.507 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 2.52 3.45 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.704 2.269 . . . . 0.0 112.325 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 2.8 t -58.05 115.4 2.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.871 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 5.1 m 62.41 42.72 8.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.87 -179.8 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.458 -179.944 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.651 HG22 ' H ' ' A' ' 9' ' ' SER . 2.1 m -90.86 172.33 8.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.778 0.323 . . . . 0.0 111.194 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.651 ' H ' HG22 ' A' ' 8' ' ' THR . 1.0 OUTLIER -99.64 143.69 26.91 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.644 0.735 . . . . 0.0 110.876 -179.857 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 167.64 23.9 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.663 2.242 . . . . 0.0 112.342 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.465 ' CD ' ' HA ' ' A' ' 83' ' ' LYS . 54.2 Cg_endo -69.71 120.61 7.38 Favored 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 122.686 2.257 . . . . 0.0 112.348 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 64.0 p -107.91 -177.25 3.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.159 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 29.9 mt 50.83 50.15 19.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.911 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.576 ' CD1' ' CD2' ' A' ' 96' ' ' TYR . 2.6 tm? -85.8 113.96 22.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.924 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.493 ' CG2' ' N ' ' A' ' 16' ' ' VAL . 3.5 m -147.38 157.69 43.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.154 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.568 HG22 ' SD ' ' A' ' 26' ' ' MET . 4.7 t -81.45 127.34 39.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.143 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 37.9 t0 -81.79 -56.39 4.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.86 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 7.9 t -146.43 157.12 43.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.882 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.419 HG11 ' O ' ' A' ' 101' ' ' LEU . 91.7 t -133.13 139.54 49.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.143 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.446 ' O ' ' N ' ' A' ' 22' ' ' THR . 0.7 OUTLIER -142.88 131.72 22.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.134 -179.918 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.625 ' OD1' HG23 ' A' ' 74' ' ' THR . 11.3 m-20 -41.42 -24.82 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.834 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.446 ' N ' ' O ' ' A' ' 20' ' ' THR . 5.7 p -83.91 -53.4 5.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.171 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 6.5 p -145.12 168.95 19.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.104 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.401 ' O ' HG23 ' A' ' 68' ' ' THR . 16.2 m -119.71 144.66 27.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.12 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 54.4 m -109.91 138.08 46.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.172 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.568 ' SD ' HG22 ' A' ' 16' ' ' VAL . 92.2 mmm -133.97 129.91 36.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.91 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 15.9 ptm180 -117.76 156.81 27.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.847 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 16.1 p90 -156.62 161.95 39.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -108.82 149.79 39.99 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.598 0.713 . . . . 0.0 110.894 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 165.71 30.07 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.691 2.26 . . . . 0.0 112.354 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 152.89 69.5 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.66 2.24 . . . . 0.0 112.373 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 69.4 m-20 -56.98 -30.35 64.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.855 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 76.7 m-70 -145.91 169.66 18.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.866 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.468 ' HA ' HG23 ' A' ' 8' ' ' THR . 6.2 mm . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.129 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.634 HD21 ' CZ ' ' A' ' 42' ' ' TYR . 4.0 tp -82.49 130.28 35.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.78 0.324 . . . . 0.0 110.952 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -109.58 94.38 5.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 42.07 -158.04 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.475 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.634 ' CZ ' HD21 ' A' ' 39' ' ' LEU . 8.6 m-85 -143.17 171.65 13.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.927 0.394 . . . . 0.0 110.924 -179.788 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 49.0 t -132.78 138.77 51.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.155 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.3 tt -129.92 129.59 44.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.927 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.604 ' OE2' HG22 ' A' ' 56' ' ' VAL . 5.7 mm-40 -125.13 161.76 26.12 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.905 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 12.4 p90 -149.58 133.51 17.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.931 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.485 ' HB2' ' CD2' ' A' ' 54' ' ' TRP . 1.2 t -106.91 130.77 54.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.866 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -87.29 136.15 33.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.873 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -57.4 140.61 49.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.887 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 93.55 -3.62 71.93 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.496 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 15.3 p -115.59 178.34 4.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.746 0.308 . . . . 0.0 111.148 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.45 ' N ' ' CD ' ' A' ' 52' ' ' GLU . 0.4 OUTLIER -129.04 3.29 5.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.913 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -127.79 141.91 51.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.933 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.503 ' CH2' ' HD3' ' A' ' 81' ' ' ARG . 43.9 m95 -82.19 153.85 25.77 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.908 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.449 ' C ' ' OE1' ' A' ' 45' ' ' GLU . 47.5 mt -112.27 120.42 62.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.163 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.604 HG22 ' OE2' ' A' ' 45' ' ' GLU . 58.2 t -56.53 146.93 5.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.167 179.821 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.733 ' HB1' ' CZ ' ' A' ' 67' ' ' PHE . . . -116.65 -53.13 2.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.105 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -77.95 134.35 37.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.894 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 46.0 tttt -67.99 -65.49 0.69 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.831 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.649 ' O ' HD23 ' A' ' 61' ' ' LEU . 4.2 m-20 -113.15 -72.25 0.71 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.885 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.649 HD23 ' O ' ' A' ' 60' ' ' ASP . 13.2 mt -146.99 140.64 25.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.903 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.538 HG22 ' O ' ' A' ' 64' ' ' LYS . 54.3 mt -86.1 104.69 13.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.135 179.843 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 27.5 m-20 -66.12 -60.1 3.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.852 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.538 ' O ' HG22 ' A' ' 62' ' ' ILE . 26.6 mmtp -67.63 169.02 10.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.932 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 11.1 p -91.89 8.64 36.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.146 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 38.6 mtpt -124.7 152.64 43.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.918 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.733 ' CZ ' ' HB1' ' A' ' 57' ' ' ALA . 58.6 t80 -148.57 145.89 28.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.908 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.401 HG23 ' O ' ' A' ' 24' ' ' VAL . 55.1 m -131.41 125.48 32.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.116 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.403 ' HB ' HD11 ' A' ' 72' ' ' LEU . 27.8 mt -82.53 106.38 13.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.124 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 37.9 p -82.19 150.0 27.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.157 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 71.19 75.77 0.61 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.46 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.403 HD11 ' HB ' ' A' ' 69' ' ' ILE . 27.6 mt -134.77 133.67 21.39 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.638 0.733 . . . . 0.0 110.893 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.423 ' O ' HG11 ' A' ' 102' ' ' VAL . 54.1 Cg_endo -69.71 129.59 17.92 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.734 2.289 . . . . 0.0 112.323 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.625 HG23 ' OD1' ' A' ' 21' ' ' ASP . 10.1 m -57.52 143.33 41.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.176 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 35.5 t70 64.88 41.26 4.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.878 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -123.74 132.02 53.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.093 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 72.3 mttt -94.94 125.25 39.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.849 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 11.7 pt -129.66 148.16 33.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.098 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -98.6 127.2 44.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.866 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 53.5 t -106.14 139.07 28.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.162 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.503 ' HD3' ' CH2' ' A' ' 54' ' ' TRP . 24.6 ptt85 -148.96 132.29 16.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.877 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 19.1 m -126.56 160.95 33.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.119 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.465 ' HA ' ' CD ' ' A' ' 11' ' ' PRO . 0.0 OUTLIER -155.53 170.86 20.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 179.928 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.427 ' N ' ' HD3' ' A' ' 11' ' ' PRO . . . -95.08 135.24 36.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.12 179.829 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 55.4 t -126.46 109.8 21.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.092 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.73 HD22 ' N ' ' A' ' 86' ' ' ASN . 0.5 OUTLIER -117.6 160.85 20.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.89 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -55.01 -14.37 1.48 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.124 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -85.11 -35.94 21.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.135 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 173.18 -125.77 1.18 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.508 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -157.01 159.64 38.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.821 0.343 . . . . 0.0 111.071 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.0 t -105.88 166.42 10.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.855 -179.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -61.97 143.65 94.48 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.603 0.716 . . . . 0.0 110.866 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 145.98 58.59 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.663 2.242 . . . . 0.0 112.343 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 19.4 tptp -98.38 123.51 42.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.88 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 68.5 m-85 -102.38 112.88 25.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.987 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . 0.576 ' CD2' ' CD1' ' A' ' 14' ' ' LEU . 0.3 OUTLIER -63.8 117.79 7.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.932 -179.864 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . 0.438 ' C ' ' O ' ' A' ' 96' ' ' TYR . 1.4 t -34.63 -55.88 0.54 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.867 -179.814 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 11.3 mm100 -113.16 146.87 36.11 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.566 0.698 . . . . 0.0 110.947 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 162.02 43.7 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.684 2.256 . . . . 0.0 112.324 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.672 ' N ' HD12 ' A' ' 100' ' ' ILE . 3.0 mp -107.3 113.16 42.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.136 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.419 ' O ' HG11 ' A' ' 19' ' ' VAL . 14.0 tp -84.99 129.44 34.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.625 HG13 ' O ' ' A' ' 102' ' ' VAL . 11.2 p -78.37 67.3 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.092 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 21.4 tptt -130.84 138.67 49.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.95 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 13.5 tm-20 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.934 179.96 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.529 HG22 ' N ' ' A' ' 9' ' ' SER . 87.8 m -92.05 159.64 15.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.79 0.328 . . . . 0.0 111.142 -179.867 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.529 ' N ' HG22 ' A' ' 8' ' ' THR . 1.8 m -80.93 146.55 59.64 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.605 0.717 . . . . 0.0 110.85 -179.846 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 169.96 17.7 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.669 2.246 . . . . 0.0 112.338 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.59 ' HG2' HG23 ' A' ' 82' ' ' VAL . 53.4 Cg_endo -69.76 124.83 11.47 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.653 2.235 . . . . 0.0 112.345 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 82.4 p -105.53 167.15 9.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.145 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 38.3 mt 57.88 49.42 11.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.924 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.526 ' C ' HD13 ' A' ' 14' ' ' LEU . 2.9 tm? -81.16 109.04 15.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.902 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.485 ' CG2' ' N ' ' A' ' 16' ' ' VAL . 4.4 m -141.29 157.32 45.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.153 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.614 HG22 ' SD ' ' A' ' 26' ' ' MET . 16.6 t -74.89 133.58 31.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.158 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.561 ' HB3' HG22 ' A' ' 25' ' ' THR . 9.3 t70 -88.55 -52.48 5.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.461 ' O ' HG23 ' A' ' 19' ' ' VAL . 1.2 t -139.93 171.7 13.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.845 -179.757 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.782 HG12 ' O ' ' A' ' 103' ' ' LYS . 53.2 t -157.95 127.83 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.113 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.589 ' O ' HG23 ' A' ' 102' ' ' VAL . 3.4 m -140.01 150.1 44.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.154 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -58.63 -11.44 3.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.883 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 14.8 p -100.61 -50.61 3.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.129 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.503 HG22 ' HA ' ' A' ' 70' ' ' THR . 18.4 p -143.87 167.09 23.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.146 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.834 ' O ' HG23 ' A' ' 68' ' ' THR . 34.2 m -123.74 151.54 28.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.138 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.561 HG22 ' HB3' ' A' ' 17' ' ' ASP . 85.2 m -121.6 141.95 50.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.134 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.614 ' SD ' HG22 ' A' ' 16' ' ' VAL . 88.4 mmm -131.89 143.63 50.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 4.7 ptm180 -132.44 155.51 48.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.827 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 43.2 p90 -164.03 159.87 21.11 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.475 ' HA ' ' NE ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -101.32 145.73 30.95 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.616 0.722 . . . . 0.0 110.855 -179.936 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 169.99 17.68 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.653 2.235 . . . . 0.0 112.357 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.428 ' O ' ' C ' ' A' ' 32' ' ' ASP . 53.7 Cg_endo -69.71 126.0 12.83 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.678 2.252 . . . . 0.0 112.347 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.428 ' C ' ' O ' ' A' ' 31' ' ' PRO . 16.0 t70 -35.9 -37.64 0.11 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.853 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 6.9 t60 -146.26 155.78 42.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.462 HD12 ' HB2' ' A' ' 39' ' ' LEU . 39.6 mm . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.176 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.367 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.47 HD21 ' CZ ' ' A' ' 42' ' ' TYR . 6.3 tp -108.88 123.4 49.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.828 0.347 . . . . 0.0 110.957 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.447 ' O ' ' C ' ' A' ' 41' ' ' GLY . 3.6 m-20 -98.85 94.53 6.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.872 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.447 ' C ' ' O ' ' A' ' 40' ' ' ASP . . . 34.25 -147.51 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.515 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.47 ' CZ ' HD21 ' A' ' 39' ' ' LEU . 1.2 m-85 -150.79 177.39 10.14 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.959 0.409 . . . . 0.0 110.886 -179.77 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 74.8 t -130.99 130.14 63.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.124 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.3 tt -128.6 132.28 48.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.973 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -133.17 177.47 7.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.904 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 23.6 p90 -153.78 128.4 9.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.401 ' HB2' ' CD2' ' A' ' 54' ' ' TRP . 41.0 t -104.63 105.73 15.94 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.904 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.486 ' HA ' HG22 ' A' ' 78' ' ' ILE . 4.1 t80 -54.01 174.73 0.05 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.845 -179.849 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -94.62 16.86 14.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.925 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -140.39 30.45 2.32 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.497 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 9.2 p -149.76 164.29 35.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.778 0.323 . . . . 0.0 111.148 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -115.62 18.08 15.98 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.896 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -135.78 155.37 50.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.819 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.606 ' CD1' ' NH2' ' A' ' 81' ' ' ARG . 85.4 m95 -88.75 128.84 35.63 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.946 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 24.5 mt -90.22 128.37 42.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.109 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 77.4 t -72.06 115.3 12.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.152 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -80.56 -57.78 3.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.114 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.436 ' HB3' ' CE1' ' A' ' 67' ' ' PHE . 9.2 p-10 -95.83 114.26 25.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 4.0 tmtm? -56.19 -47.33 78.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.889 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -110.39 158.62 18.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.833 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 18.5 mt -46.97 144.39 2.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.934 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 16.7 mt -91.7 132.85 35.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.107 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -94.48 -36.99 11.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 5.0 pttt -84.98 146.69 27.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.849 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 39.0 p -75.84 -3.91 37.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.115 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 19.0 ttmt -114.5 137.83 51.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.866 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.436 ' CE1' ' HB3' ' A' ' 58' ' ' ASN . 46.2 t80 -141.23 156.55 45.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.895 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.834 HG23 ' O ' ' A' ' 24' ' ' VAL . 41.0 m -144.97 118.25 8.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.142 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.474 HD12 ' CG2' ' A' ' 24' ' ' VAL . 16.7 mt -70.6 147.4 11.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.131 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.503 ' HA ' HG22 ' A' ' 23' ' ' THR . 28.7 p -121.4 141.22 51.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.132 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 80.28 70.24 1.35 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.51 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 14.0 mt -131.34 132.97 23.94 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.597 0.713 . . . . 0.0 110.903 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 128.32 15.89 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.68 2.254 . . . . 0.0 112.385 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 18.0 m -54.45 142.72 26.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.144 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 23.4 t70 61.45 50.48 4.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.822 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.438 ' C ' HD12 ' A' ' 101' ' ' LEU . . . -127.88 135.45 50.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.108 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 78.9 mttt -92.17 129.57 38.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.935 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.486 HG22 ' HA ' ' A' ' 48' ' ' PHE . 2.8 pp -141.82 154.96 19.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.13 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.569 ' CE1' ' HB3' ' A' ' 99' ' ' PRO . 40.4 m-85 -103.81 143.49 32.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.862 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 57.9 t -125.85 129.52 72.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.143 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.606 ' NH2' ' CD1' ' A' ' 54' ' ' TRP . 30.6 ptt180 -140.23 130.86 25.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.864 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.59 HG23 ' HG2' ' A' ' 11' ' ' PRO . 33.1 m -120.14 152.03 22.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.116 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 28.7 pttt -150.71 159.32 44.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -98.37 129.78 45.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.112 179.781 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 89.7 t -119.92 120.92 64.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.16 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.567 ' N ' ' ND2' ' A' ' 86' ' ' ASN . 0.0 OUTLIER -128.29 176.19 7.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -44.94 -52.14 9.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.108 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -49.24 -41.5 37.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.083 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 162.04 -144.06 9.37 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.521 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -118.52 162.82 17.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.773 0.32 . . . . 0.0 111.061 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 2.2 m -105.29 159.01 16.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.849 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -59.39 143.5 85.48 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.633 0.73 . . . . 0.0 110.877 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.83 152.79 69.03 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.691 2.261 . . . . 0.0 112.36 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 5.5 tmtm? -116.5 113.15 22.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.922 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -94.58 115.27 27.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.905 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . 0.5 ' CD1' ' N ' ' A' ' 97' ' ' SER . 37.5 t80 -57.33 167.45 0.95 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.894 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . 0.5 ' N ' ' CD1' ' A' ' 96' ' ' TYR . 25.8 t -63.37 -72.64 0.13 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.819 -179.847 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 73.1 mt-30 -109.58 153.12 43.05 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.591 0.71 . . . . 0.0 110.935 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . 0.569 ' HB3' ' CE1' ' A' ' 79' ' ' PHE . 53.8 Cg_endo -69.82 127.78 15.03 Favored 'Trans proline' 0 N--CA 1.465 -0.168 0 C-N-CA 122.687 2.258 . . . . 0.0 112.369 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.77 ' H ' HD12 ' A' ' 100' ' ' ILE . 4.4 mp -68.98 131.75 33.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.09 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.438 HD12 ' C ' ' A' ' 76' ' ' ALA . 12.2 tp -108.03 95.7 5.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.931 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.589 HG23 ' O ' ' A' ' 20' ' ' THR . 4.7 p -41.6 102.61 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.143 179.804 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . 0.782 ' O ' HG12 ' A' ' 19' ' ' VAL . 26.6 tptp -142.97 154.1 43.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.41 ' N ' ' HG3' ' A' ' 103' ' ' LYS . 4.0 tm-20 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.857 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.378 0 N-CA-C 112.526 -0.23 . . . . 0.0 112.526 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -111.34 148.9 31.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.793 0.33 . . . . 0.0 111.159 -179.86 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.3 m -78.26 149.9 76.51 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.684 0.754 . . . . 0.0 110.858 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 168.08 22.64 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.668 2.246 . . . . 0.0 112.319 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 136.15 32.28 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.686 2.258 . . . . 0.0 112.341 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 41.2 p -127.18 169.05 13.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.096 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 28.4 mt 61.63 50.95 4.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.893 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.505 HD22 ' N ' ' A' ' 15' ' ' THR . 1.9 tm? -92.85 117.48 30.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.9 179.853 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.505 ' N ' HD22 ' A' ' 14' ' ' LEU . 4.4 m -148.08 153.28 38.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.171 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.665 HG22 ' SD ' ' A' ' 26' ' ' MET . 5.9 t -81.62 105.41 11.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.124 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -61.24 -65.98 0.61 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.502 ' O ' HG23 ' A' ' 19' ' ' VAL . 2.0 m -123.47 174.89 7.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.857 -179.778 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.502 HG23 ' O ' ' A' ' 18' ' ' SER . 39.0 t -158.35 129.08 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.156 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -127.64 151.24 49.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.146 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 15.7 p-10 -65.93 -5.34 9.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.833 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.508 ' O ' HG23 ' A' ' 23' ' ' THR . 12.8 p -110.43 -29.31 8.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.129 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.581 HG22 ' HA ' ' A' ' 70' ' ' THR . 21.9 p -158.84 167.89 28.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.123 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.932 ' O ' HG23 ' A' ' 68' ' ' THR . 20.1 m -118.85 165.57 14.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.117 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 89.8 m -133.91 117.51 16.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.148 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.665 ' SD ' HG22 ' A' ' 16' ' ' VAL . 81.3 mmm -115.71 118.19 32.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.862 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.402 ' HD3' ' C ' ' A' ' 27' ' ' ARG . 0.0 OUTLIER -109.36 154.22 22.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.847 -179.943 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 40.6 p90 -158.27 170.08 23.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 25.1 mtp180 -121.68 161.43 41.87 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.594 0.711 . . . . 0.0 110.88 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 165.67 30.1 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.684 2.256 . . . . 0.0 112.35 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 175.29 8.31 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.668 2.245 . . . . 0.0 112.331 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -48.09 -40.15 22.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.908 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 5.0 t60 -173.54 156.21 2.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.879 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 26.3 mm . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.113 179.999 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.801 HD12 ' OD1' ' A' ' 86' ' ' ASN . 4.4 tp -133.69 137.51 45.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.809 0.337 . . . . 0.0 110.916 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -124.39 96.15 4.8 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 179.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.44 ' C ' ' CD1' ' A' ' 42' ' ' TYR . . . 44.9 -168.36 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.493 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.592 ' N ' ' CD1' ' A' ' 42' ' ' TYR . 0.1 OUTLIER -139.69 171.64 13.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.938 0.399 . . . . 0.0 110.892 -179.777 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.469 HG21 HG21 ' A' ' 85' ' ' VAL . 94.3 t -114.35 133.46 60.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.137 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.424 ' O ' ' HB3' ' A' ' 57' ' ' ALA . 6.0 tt -136.2 134.17 37.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.919 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -141.93 163.62 32.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 27.4 p90 -136.11 137.43 41.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.509 ' HB2' ' CD2' ' A' ' 54' ' ' TRP . 46.8 t -108.28 121.8 45.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.864 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -83.92 144.1 29.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.905 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -60.09 106.52 0.52 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.863 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 107.56 40.4 1.76 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.501 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 26.2 p -124.7 171.51 10.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.78 0.324 . . . . 0.0 111.136 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 69.7 mm-40 -104.82 -36.58 7.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.911 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -135.64 144.06 45.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.86 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.52 ' CH2' ' HD2' ' A' ' 81' ' ' ARG . 54.6 m95 -52.23 151.76 3.71 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.96 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 5.2 mp -100.03 112.24 32.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.147 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 91.8 t -53.38 116.91 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.144 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.424 ' HB3' ' O ' ' A' ' 44' ' ' LEU . . . -81.6 -63.38 1.41 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.111 179.847 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 9.3 p-10 -76.85 157.46 31.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.899 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 9.7 mmtp -79.93 -63.05 1.5 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.923 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.403 ' C ' ' HG ' ' A' ' 61' ' ' LEU . 0.8 OUTLIER -114.36 -66.91 1.04 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 179.874 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.403 ' HG ' ' C ' ' A' ' 60' ' ' ASP . 12.9 mt -149.86 168.55 23.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.887 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.535 HG22 ' O ' ' A' ' 64' ' ' LYS . 24.2 mt -111.79 103.8 16.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.155 179.826 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -56.12 -62.91 1.39 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.535 ' O ' HG22 ' A' ' 62' ' ' ILE . 2.5 mmpt? -74.05 161.77 29.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.878 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -81.18 13.1 3.0 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.13 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 10.5 mmtm -122.86 160.28 26.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.88 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 22.9 t80 -163.03 145.7 10.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.932 HG23 ' O ' ' A' ' 24' ' ' VAL . 61.5 m -132.47 132.58 42.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.126 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.496 ' O ' HG22 ' A' ' 23' ' ' THR . 65.0 mt -86.41 134.15 28.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.139 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.581 ' HA ' HG22 ' A' ' 23' ' ' THR . 65.5 p -111.52 129.33 56.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.141 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 94.83 69.62 1.07 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.493 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 15.2 mt -130.11 126.45 22.34 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.532 0.682 . . . . 0.0 110.964 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.496 ' O ' ' HB3' ' A' ' 76' ' ' ALA . 53.3 Cg_endo -69.78 130.99 20.28 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.696 2.264 . . . . 0.0 112.281 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.462 HG22 ' N ' ' A' ' 75' ' ' ASP . 57.7 m -49.46 156.81 0.58 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.106 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.462 ' N ' HG22 ' A' ' 74' ' ' THR . 0.9 OUTLIER 46.63 41.38 9.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.831 179.897 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.548 ' O ' HG12 ' A' ' 102' ' ' VAL . . . -120.38 127.33 52.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.09 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 66.9 mttt -93.49 133.51 36.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.89 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 17.3 pt -137.4 156.45 33.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.154 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -98.04 154.36 17.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.498 HG11 ' HE2' ' A' ' 26' ' ' MET . 73.2 t -136.01 136.18 49.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.14 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.52 ' HD2' ' CH2' ' A' ' 54' ' ' TRP . 5.4 ptm180 -153.44 133.5 13.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.876 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 10.0 m -125.14 164.17 24.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.091 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 8.6 pttm -154.42 171.81 18.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.865 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -105.16 101.76 11.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.144 179.782 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.469 HG21 HG21 ' A' ' 43' ' ' VAL . 40.7 t -104.39 108.91 25.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.155 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.801 ' OD1' HD12 ' A' ' 39' ' ' LEU . 0.0 OUTLIER -125.51 -179.59 4.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -51.12 -42.18 60.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.1 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -57.97 -48.13 80.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.113 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 171.27 -133.46 2.76 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.502 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -136.62 155.94 49.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.786 0.327 . . . . 0.0 111.072 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.3 t -109.28 157.93 18.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -52.04 142.7 26.12 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.671 0.748 . . . . 0.0 110.839 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 153.85 68.61 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.71 2.274 . . . . 0.0 112.336 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 4.9 tppt? -104.01 99.27 9.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.937 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 63.5 m-85 -81.82 117.31 22.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.927 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . 0.424 ' O ' ' C ' ' A' ' 97' ' ' SER . 1.2 t80 -71.32 122.23 19.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.91 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . 0.424 ' C ' ' O ' ' A' ' 96' ' ' TYR . 32.8 m -36.4 -70.15 0.1 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.829 -179.824 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -102.81 154.16 37.71 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.562 0.696 . . . . 0.0 110.907 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 162.63 41.33 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.694 2.263 . . . . 0.0 112.345 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.754 ' N ' HD12 ' A' ' 100' ' ' ILE . 1.9 mp -101.85 134.6 41.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.116 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 19.8 tp -100.97 141.49 33.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.911 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.548 HG12 ' O ' ' A' ' 76' ' ' ALA . 5.5 p -100.1 76.62 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.099 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 10.2 tptm -133.8 139.11 46.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.936 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 10.1 tm-20 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.885 179.965 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -133.49 164.0 28.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.786 0.326 . . . . 0.0 111.135 -179.85 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -92.5 143.75 27.72 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.623 0.725 . . . . 0.0 110.883 -179.863 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 168.68 20.83 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.669 2.246 . . . . 0.0 112.331 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 122.69 9.36 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.645 2.23 . . . . 0.0 112.336 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 64.0 p -110.69 -175.42 2.71 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.154 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 33.5 mt 50.72 40.47 24.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.683 ' C ' HD13 ' A' ' 14' ' ' LEU . 3.0 tm? -86.92 109.81 19.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.913 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.46 ' CG2' ' N ' ' A' ' 16' ' ' VAL . 4.5 m -142.87 155.84 44.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.17 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.512 HG23 ' CE2' ' A' ' 96' ' ' TYR . 5.3 t -77.13 94.73 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.131 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -51.67 -62.15 1.8 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 4.7 m -141.04 164.63 29.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.467 HG13 HG12 ' A' ' 24' ' ' VAL . 46.6 t -144.32 133.43 18.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.141 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.456 ' O ' ' N ' ' A' ' 22' ' ' THR . 1.3 m -128.28 131.14 48.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.114 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -38.67 -28.0 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.866 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.456 ' N ' ' O ' ' A' ' 20' ' ' THR . 1.2 p -88.02 -57.33 2.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.143 -179.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 22.3 p -133.47 158.09 43.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.161 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.467 HG12 HG13 ' A' ' 19' ' ' VAL . 31.8 m -111.59 147.97 15.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.124 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.442 ' CG2' ' HE2' ' A' ' 66' ' ' LYS . 13.7 m -113.67 142.26 46.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.137 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 96.4 mmm -133.68 146.15 50.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.936 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 7.7 ptt180 -129.43 152.53 48.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.847 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.475 ' HH2' HG21 ' A' ' 62' ' ' ILE . 16.8 p90 -160.04 171.09 19.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.948 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 22.9 mtt180 -132.72 154.21 81.37 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.596 0.712 . . . . 0.0 110.847 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.84 169.95 17.82 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.669 2.246 . . . . 0.0 112.326 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 153.95 68.42 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.729 2.286 . . . . 0.0 112.346 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.493 ' O ' ' CG ' ' A' ' 33' ' ' HIS . 19.3 t0 -40.33 -41.72 1.41 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.825 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.507 ' C ' HD13 ' A' ' 34' ' ' ILE . 55.4 m-70 -166.49 171.46 11.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.879 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.507 HD13 ' C ' ' A' ' 33' ' ' HIS . 3.1 mm . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.105 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.421 HD21 ' CZ ' ' A' ' 42' ' ' TYR . 6.4 tp -82.33 128.41 34.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.8 0.333 . . . . 0.0 110.889 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.425 ' O ' ' C ' ' A' ' 41' ' ' GLY . 15.3 m-20 -104.93 95.36 5.81 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.87 179.822 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.444 ' C ' ' CG ' ' A' ' 42' ' ' TYR . . . 35.35 -140.83 0.16 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.494 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.444 ' CG ' ' C ' ' A' ' 41' ' ' GLY . 1.1 m-85 -157.09 168.49 27.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.89 0.376 . . . . 0.0 110.949 -179.824 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 91.1 t -127.51 130.27 70.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.113 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.508 HD12 ' CG1' ' A' ' 82' ' ' VAL . 5.3 tt -124.14 141.69 51.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.872 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.449 ' N ' HD23 ' A' ' 44' ' ' LEU . 78.6 mt-10 -145.76 155.13 42.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 13.5 p90 -130.54 129.25 42.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.901 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.497 ' HB2' ' CD2' ' A' ' 54' ' ' TRP . 41.6 t -101.94 100.47 10.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.911 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 5.9 t80 -55.76 164.7 1.05 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -75.68 -31.62 59.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.926 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -99.41 42.55 1.98 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.47 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 2.2 p -142.45 165.96 25.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.754 0.311 . . . . 0.0 111.125 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -108.08 -38.49 5.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.904 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -112.31 151.15 30.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.894 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.497 ' CD2' ' HB2' ' A' ' 47' ' ' CYS . 71.8 m95 -59.64 151.46 24.74 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 28.5 mt -106.35 98.21 6.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.143 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 76.8 t -40.42 122.35 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.126 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -92.14 -50.12 5.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.151 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 16.3 p-10 -87.75 162.64 16.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 25.6 tptp -84.75 -56.25 3.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.901 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -123.21 -65.09 1.11 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.84 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 85.4 mt -153.33 154.93 35.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.94 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.475 HG21 ' HH2' ' A' ' 28' ' ' TRP . 18.2 mt -102.86 124.84 57.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.092 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 34.2 m-20 -87.05 -46.81 9.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.866 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 26.8 mtpp -66.38 160.57 24.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.9 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -87.31 2.22 50.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.151 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.442 ' HE2' ' CG2' ' A' ' 25' ' ' THR . 12.6 mtpt -129.12 152.24 48.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.907 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 32.5 t80 -143.47 149.67 37.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.909 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 97.1 m -133.14 118.43 18.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.149 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 58.0 mt -74.5 132.32 33.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.123 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 35.7 p -105.55 134.91 47.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.126 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 86.03 75.61 1.25 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.474 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 18.1 mt -137.05 127.53 16.06 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.576 0.703 . . . . 0.0 110.944 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 131.1 20.49 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.693 2.262 . . . . 0.0 112.37 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.525 HG22 ' OD2' ' A' ' 75' ' ' ASP . 50.2 m -52.94 144.18 15.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.141 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.525 ' OD2' HG22 ' A' ' 74' ' ' THR . 16.0 m-20 61.58 45.13 8.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.842 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.582 ' O ' HG12 ' A' ' 102' ' ' VAL . . . -123.56 142.16 51.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.099 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 79.1 mttt -104.36 136.16 44.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.921 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 33.0 pt -143.05 156.67 17.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.148 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 86.8 m-85 -103.68 122.01 44.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.901 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.502 HG13 HD21 ' A' ' 44' ' ' LEU . 83.1 t -108.04 138.35 35.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.095 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.44 ' HG2' ' CZ3' ' A' ' 54' ' ' TRP . 25.1 ptt180 -151.42 138.04 18.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.836 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.508 ' CG1' HD12 ' A' ' 44' ' ' LEU . 4.8 m -116.42 147.32 19.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.084 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 4.3 mtmm -132.84 140.91 48.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.884 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -88.3 110.57 20.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.105 179.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 77.3 t -99.66 129.88 49.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.12 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.461 ' N ' ' ND2' ' A' ' 86' ' ' ASN . 0.3 OUTLIER -132.21 174.47 10.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.834 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.56 -41.33 80.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.117 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.15 -52.72 62.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.121 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -175.99 -126.91 0.99 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.494 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -145.42 153.77 41.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.787 0.327 . . . . 0.0 111.099 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 7.5 t -101.03 169.16 9.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.859 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -59.1 144.03 83.42 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.688 0.756 . . . . 0.0 110.88 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 146.57 60.41 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.669 2.246 . . . . 0.0 112.349 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 34.0 tptt -95.95 104.13 16.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.887 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 50.3 m-85 -88.02 122.45 31.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.917 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . 0.512 ' CE2' HG23 ' A' ' 16' ' ' VAL . 2.0 t80 -71.88 132.57 44.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.878 -179.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 3.3 t -46.14 -70.49 0.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.864 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -103.03 147.49 34.2 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.613 0.721 . . . . 0.0 110.872 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 148.84 65.73 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.677 2.251 . . . . 0.0 112.344 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.466 ' H ' HD12 ' A' ' 100' ' ' ILE . 5.0 mp -86.11 142.38 13.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.129 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.48 ' O ' ' N ' ' A' ' 103' ' ' LYS . 45.2 tp -114.25 102.55 10.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.906 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.59 HG22 ' O ' ' A' ' 102' ' ' VAL . 1.8 p -55.68 82.84 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.132 179.85 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . 0.48 ' N ' ' O ' ' A' ' 101' ' ' LEU . 12.8 tptp -142.29 135.01 28.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.9 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.931 179.936 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.611 HG22 ' N ' ' A' ' 9' ' ' SER . 56.9 m -94.23 164.97 12.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.782 0.325 . . . . 0.0 111.143 -179.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.611 ' N ' HG22 ' A' ' 8' ' ' THR . 1.9 m -88.32 150.01 46.0 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.621 0.724 . . . . 0.0 110.866 -179.85 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 169.48 18.85 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.655 2.236 . . . . 0.0 112.315 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.556 ' HD3' ' HB2' ' A' ' 84' ' ' ALA . 54.5 Cg_endo -69.72 148.32 65.06 Favored 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.66 2.24 . . . . 0.0 112.374 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 53.7 p -134.32 177.36 7.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.118 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.9 mt 55.51 53.3 9.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.967 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.438 HD12 ' HD1' ' A' ' 96' ' ' TYR . 2.0 tm? -83.59 118.78 24.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.948 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.432 HG22 ' N ' ' A' ' 16' ' ' VAL . 41.0 m -142.82 154.98 44.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.156 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.432 ' N ' HG22 ' A' ' 15' ' ' THR . 3.6 t -89.0 112.79 24.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.116 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -70.16 -49.67 48.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.842 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.2 t -159.15 153.52 24.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.862 -179.719 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 19.2 t -142.5 130.08 19.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.12 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.74 HG22 ' H ' ' A' ' 21' ' ' ASP . 0.6 OUTLIER -108.14 -178.2 3.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.116 -179.935 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.74 ' H ' HG22 ' A' ' 20' ' ' THR . 4.2 m-20 -87.97 -5.22 58.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -125.13 -21.21 4.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.147 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.473 HG22 ' HA ' ' A' ' 70' ' ' THR . 36.0 p -145.39 166.1 26.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.1 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.712 ' CG2' HD12 ' A' ' 69' ' ' ILE . 15.9 m -134.09 135.62 54.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.114 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.7 m -104.6 130.91 52.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.152 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.436 ' CE ' HG11 ' A' ' 80' ' ' VAL . 97.9 mmm -129.78 125.23 35.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.9 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.41 ' HD3' ' C ' ' A' ' 27' ' ' ARG . 0.1 OUTLIER -117.19 146.82 42.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.85 -179.92 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.436 ' HB3' HD23 ' A' ' 14' ' ' LEU . 41.5 p90 -140.42 177.7 7.82 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.907 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 5.1 mmm180 -120.3 150.38 51.54 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.602 0.715 . . . . 0.0 110.885 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 162.62 41.37 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.716 2.278 . . . . 0.0 112.333 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.521 ' HG2' HD13 ' A' ' 34' ' ' ILE . 54.2 Cg_endo -69.71 142.23 47.59 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.719 2.279 . . . . 0.0 112.339 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -42.31 -49.41 5.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.846 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 56.7 t-80 -136.35 147.73 47.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.828 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.521 HD13 ' HG2' ' A' ' 31' ' ' PRO . 20.6 mm . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.11 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 7.4 tp -79.89 132.91 36.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.859 0.361 . . . . 0.0 110.926 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -115.87 97.91 6.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.434 ' C ' ' CG ' ' A' ' 42' ' ' TYR . . . 41.15 -145.87 0.49 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.507 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.434 ' CG ' ' C ' ' A' ' 41' ' ' GLY . 0.2 OUTLIER -155.61 173.48 16.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.92 0.391 . . . . 0.0 110.957 -179.827 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 59.5 t -127.62 131.44 70.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.127 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.748 HD12 ' CG1' ' A' ' 82' ' ' VAL . 4.2 tp -111.47 135.52 51.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.862 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 55.0 mt-10 -144.72 132.4 21.1 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.865 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 20.2 p90 -124.44 131.48 53.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.923 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 1.2 t -96.45 122.56 39.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.884 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -86.42 137.29 32.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.466 ' CD ' ' N ' ' A' ' 50' ' ' GLY . 2.8 pp20? -54.77 -40.0 68.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.868 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.466 ' N ' ' CD ' ' A' ' 49' ' ' GLU . . . -69.21 -18.76 73.44 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.532 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 78.8 p -107.39 179.38 4.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.733 0.302 . . . . 0.0 111.115 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -120.77 -35.91 3.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.899 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -89.84 150.35 22.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.886 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 63.0 m95 -71.69 138.33 48.48 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 5.4 mp -101.95 142.01 17.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.126 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 1.6 p -93.36 150.15 4.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.153 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -107.89 -40.04 5.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.114 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 16.9 p-10 -89.71 150.39 22.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.883 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.452 ' HG2' ' N ' ' A' ' 60' ' ' ASP . 0.0 OUTLIER -82.87 -32.98 27.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.916 179.899 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.452 ' N ' ' HG2' ' A' ' 59' ' ' LYS . 2.0 t70 -133.48 -70.99 0.52 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.822 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 37.3 mt -155.27 162.16 40.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.917 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.535 HG22 ' H ' ' A' ' 64' ' ' LYS . 20.9 mt -105.6 113.07 41.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.09 179.848 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -89.87 37.35 0.88 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.853 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.535 ' H ' HG22 ' A' ' 62' ' ' ILE . 0.0 OUTLIER -155.27 139.8 16.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.871 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 5.0 p -67.05 -3.53 7.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.129 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.7 mmmm -121.44 166.59 13.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.536 ' CD1' ' N ' ' A' ' 68' ' ' THR . 24.8 t80 -166.62 156.47 11.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.536 ' N ' ' CD1' ' A' ' 67' ' ' PHE . 31.4 m -144.08 128.32 17.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.151 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.712 HD12 ' CG2' ' A' ' 24' ' ' VAL . 17.9 mt -91.92 140.21 16.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.087 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.473 ' HA ' HG22 ' A' ' 23' ' ' THR . 73.1 p -119.64 137.21 54.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.176 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 94.11 61.31 1.09 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.482 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 36.6 mt -131.43 132.89 23.83 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.627 0.727 . . . . 0.0 110.89 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.659 ' O ' HG11 ' A' ' 102' ' ' VAL . 53.9 Cg_endo -69.79 146.04 58.81 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.642 2.228 . . . . 0.0 112.371 179.858 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.601 HG23 ' OD1' ' A' ' 21' ' ' ASP . 22.1 m -73.36 153.25 40.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.12 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 7.9 t70 57.84 37.7 27.03 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -115.99 149.57 38.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.075 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.593 ' HG2' HD22 ' A' ' 101' ' ' LEU . 31.5 mttt -107.99 135.39 49.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.887 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 32.9 pt -146.76 154.16 12.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.141 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -102.12 131.55 48.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.905 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.603 ' CG2' HD13 ' A' ' 100' ' ' ILE . 79.2 t -106.82 144.61 15.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.124 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 20.9 ptt180 -159.44 133.61 7.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.875 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.748 ' CG1' HD12 ' A' ' 44' ' ' LEU . 1.7 m -125.28 144.82 33.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.145 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -133.72 174.51 10.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.556 ' HB2' ' HD3' ' A' ' 11' ' ' PRO . . . -117.12 131.25 56.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.112 179.838 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 76.0 t -117.99 129.56 74.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.141 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -145.49 179.03 7.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.873 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -49.38 -51.38 35.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.136 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -47.51 -52.29 17.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.067 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 170.15 -130.04 1.94 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.458 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -134.57 143.82 47.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.787 0.327 . . . . 0.0 111.092 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.7 t -101.32 152.78 20.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.845 -179.79 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -57.42 142.08 77.07 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.625 0.726 . . . . 0.0 110.889 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.5 ' HG2' ' CE1' ' A' ' 95' ' ' TYR . 53.9 Cg_endo -69.74 148.7 65.76 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.717 2.278 . . . . 0.0 112.342 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 2.9 tppt? -92.0 113.22 25.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.93 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . 0.5 ' CE1' ' HG2' ' A' ' 93' ' ' PRO . 58.4 m-85 -91.28 120.36 32.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.891 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . 0.438 ' HD1' HD12 ' A' ' 14' ' ' LEU . 27.9 t80 -68.01 166.59 15.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.911 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 67.9 p -62.9 -74.28 0.1 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.9 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -105.29 159.31 29.87 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.572 0.701 . . . . 0.0 110.946 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 147.72 63.59 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.734 2.289 . . . . 0.0 112.363 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.603 HD13 ' CG2' ' A' ' 80' ' ' VAL . 5.2 mp -88.59 129.46 39.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.11 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.593 HD22 ' HG2' ' A' ' 77' ' ' LYS . 0.1 OUTLIER -99.46 110.43 22.91 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.88 179.913 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.659 HG11 ' O ' ' A' ' 73' ' ' PRO . 7.3 p -59.45 82.38 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.166 179.806 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . 0.424 ' N ' ' O ' ' A' ' 101' ' ' LEU . 14.0 tptp -143.42 146.57 33.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.947 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.891 179.957 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.521 HG22 ' N ' ' A' ' 9' ' ' SER . 46.1 m -100.46 159.92 14.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.789 0.328 . . . . 0.0 111.125 -179.839 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.521 ' N ' HG22 ' A' ' 8' ' ' THR . 17.7 m -78.83 148.86 73.2 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.684 0.754 . . . . 0.0 110.849 -179.86 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 168.79 20.55 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.647 2.232 . . . . 0.0 112.347 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 122.41 9.08 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.668 2.245 . . . . 0.0 112.319 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 79.5 p -106.53 -177.56 3.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.164 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.685 HD13 ' NH1' ' A' ' 29' ' ' ARG . 33.3 mt 49.39 49.63 19.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.919 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.477 ' C ' HD13 ' A' ' 14' ' ' LEU . 3.4 tm? -86.97 112.99 22.35 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.934 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 21.3 m -153.97 143.2 21.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.151 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.418 HG22 ' SD ' ' A' ' 26' ' ' MET . 2.8 t -64.48 146.76 12.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.103 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -106.52 -56.98 2.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.854 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 33.0 p -138.13 148.36 44.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.841 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 77.4 t -131.86 125.2 54.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.094 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.686 HG23 ' CD ' ' A' ' 104' ' ' GLU . 0.8 OUTLIER -132.19 128.0 37.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.137 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.54 ' HA ' HG22 ' A' ' 102' ' ' VAL . 2.7 p-10 -35.46 -33.19 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.858 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.456 ' N ' ' O ' ' A' ' 20' ' ' THR . 29.3 p -71.11 -54.1 12.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.141 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 20.6 p -152.27 162.48 41.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.139 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.419 ' CG2' HD12 ' A' ' 69' ' ' ILE . 34.5 m -104.35 164.85 3.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.149 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 68.6 m -134.78 122.42 22.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.12 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.685 ' HG3' HG11 ' A' ' 80' ' ' VAL . 79.7 mmm -112.66 130.25 56.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.856 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 4.8 ptm180 -115.09 149.48 37.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.862 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 26.1 p90 -163.37 174.32 12.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.924 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.685 ' NH1' HD13 ' A' ' 13' ' ' LEU . 31.2 mtt85 -129.25 156.68 77.97 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.587 0.708 . . . . 0.0 110.884 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 168.71 20.71 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.66 2.24 . . . . 0.0 112.358 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.409 ' HG2' HD13 ' A' ' 34' ' ' ILE . 53.9 Cg_endo -69.75 136.98 34.42 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.752 2.301 . . . . 0.0 112.322 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -39.46 -42.77 1.15 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.872 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 28.6 m170 -133.58 162.64 31.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.871 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.495 ' HA ' HG23 ' A' ' 8' ' ' THR . 3.2 mm . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.15 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.493 HD12 ' OD1' ' A' ' 86' ' ' ASN . 8.0 tp -133.61 135.56 44.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.784 0.326 . . . . 0.0 110.87 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.423 ' O ' ' C ' ' A' ' 41' ' ' GLY . 36.1 m-20 -121.39 96.67 5.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.84 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.423 ' C ' ' O ' ' A' ' 40' ' ' ASP . . . 36.54 -151.72 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.432 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -148.65 177.59 9.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.89 0.376 . . . . 0.0 110.967 -179.804 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.425 ' CG2' HG21 ' A' ' 85' ' ' VAL . 23.3 t -133.92 142.09 42.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.169 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.574 HD23 ' C ' ' A' ' 44' ' ' LEU . 7.7 tt -138.9 135.83 34.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.946 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.403 ' N ' HD23 ' A' ' 44' ' ' LEU . 5.8 mt-10 -138.01 158.07 45.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.856 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 8.0 p90 -137.38 133.5 34.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.926 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.451 ' HB2' ' CD2' ' A' ' 54' ' ' TRP . 1.2 t -103.2 127.98 50.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.874 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -87.27 141.78 28.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.915 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -62.02 -27.28 68.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.864 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -75.62 -18.17 79.85 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.449 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 66.4 p -122.34 144.12 49.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.75 0.309 . . . . 0.0 111.157 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -91.55 27.87 1.88 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -138.85 152.4 47.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.839 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.451 ' CD2' ' HB2' ' A' ' 47' ' ' CYS . 79.9 m95 -83.23 122.13 28.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.942 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 27.8 mt -90.2 101.8 12.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.118 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.459 HG12 ' O ' ' A' ' 58' ' ' ASN . 91.7 t -56.3 124.71 10.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.124 179.833 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -84.17 -54.27 4.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.128 179.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.459 ' O ' HG12 ' A' ' 56' ' ' VAL . 1.0 OUTLIER -74.85 149.04 39.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.883 -179.942 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.408 ' N ' ' OD1' ' A' ' 58' ' ' ASN . 24.2 mtpt -87.46 -65.57 1.0 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.929 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -102.55 -68.24 0.84 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.847 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 95.6 mt -155.35 159.58 40.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.91 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.645 HG22 ' H ' ' A' ' 64' ' ' LYS . 45.7 mt -103.64 126.8 58.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.137 179.832 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 43.3 t0 -108.06 38.01 2.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.87 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.645 ' H ' HG22 ' A' ' 62' ' ' ILE . 10.3 pttm -149.9 146.09 26.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.913 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 16.7 p -76.89 3.11 12.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.108 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 63.8 mttt -141.85 138.38 32.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.936 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.497 ' CD1' ' N ' ' A' ' 68' ' ' THR . 22.4 t80 -129.04 151.69 49.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.902 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.497 ' N ' ' CD1' ' A' ' 67' ' ' PHE . 64.7 m -134.15 117.53 16.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.158 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.419 HD12 ' CG2' ' A' ' 24' ' ' VAL . 15.6 mt -79.22 107.81 12.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.095 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 62.6 p -83.78 129.63 34.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.137 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 96.28 70.76 1.06 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.487 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 17.5 mt -133.85 126.06 18.61 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.633 0.73 . . . . 0.0 110.911 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 133.1 24.64 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.706 2.271 . . . . 0.0 112.322 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.492 HG22 ' CG ' ' A' ' 75' ' ' ASP . 88.2 m -58.7 143.01 48.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.135 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.492 ' CG ' HG22 ' A' ' 74' ' ' THR . 6.0 m-20 70.34 29.9 3.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.853 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.663 ' O ' HG12 ' A' ' 102' ' ' VAL . . . -113.79 141.27 47.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.09 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 26.6 mttm -108.12 136.46 47.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.923 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.405 ' C ' HD12 ' A' ' 78' ' ' ILE . 2.7 pp -141.87 159.12 20.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.117 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 54.3 m-85 -104.16 132.34 50.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.917 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.685 HG11 ' HG3' ' A' ' 26' ' ' MET . 74.9 t -112.01 132.22 61.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.125 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 34.6 ptt180 -146.45 128.13 15.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.847 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 34.0 m -125.97 152.63 33.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.161 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.8 167.94 22.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -93.38 120.36 33.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.073 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.425 HG21 ' CG2' ' A' ' 43' ' ' VAL . 45.6 t -107.7 120.95 59.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.121 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.523 ' N ' ' ND2' ' A' ' 86' ' ' ASN . 0.0 OUTLIER -139.75 177.43 7.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.889 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -54.55 -46.06 73.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.084 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -47.84 -34.41 8.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.132 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 151.47 -109.36 0.42 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.498 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -155.29 151.66 28.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.78 0.324 . . . . 0.0 111.136 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 19.6 m -101.89 158.02 16.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.874 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -50.48 143.06 14.38 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.686 0.755 . . . . 0.0 110.868 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 149.4 66.73 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.696 2.264 . . . . 0.0 112.363 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 20.1 tptp -101.52 120.18 39.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.925 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 -102.55 121.8 43.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.962 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 7.1 t80 -72.77 142.58 48.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.911 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 4.9 m -48.57 -73.24 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.863 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 11.3 mm100 -108.56 151.28 41.56 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.553 0.692 . . . . 0.0 110.946 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 149.22 66.56 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.677 2.251 . . . . 0.0 112.341 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.597 ' H ' HD12 ' A' ' 100' ' ' ILE . 3.7 mp -89.62 125.98 42.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.146 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.474 ' O ' ' N ' ' A' ' 103' ' ' LYS . 37.4 tp -97.85 101.89 13.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.912 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.663 HG12 ' O ' ' A' ' 76' ' ' ALA . 2.7 p -54.67 84.05 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.089 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . 0.474 ' N ' ' O ' ' A' ' 101' ' ' LEU . 20.5 tptp -143.08 132.82 23.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.909 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.686 ' CD ' HG23 ' A' ' 20' ' ' THR . 3.1 tp10 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.914 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -92.01 150.57 20.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.854 0.359 . . . . 0.0 111.098 -179.863 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.5 t -78.69 149.3 74.33 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.701 0.762 . . . . 0.0 110.884 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.76 169.24 19.37 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.718 2.279 . . . . 0.0 112.354 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 129.65 18.0 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.68 2.253 . . . . 0.0 112.342 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 44.9 p -112.98 -177.98 3.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.139 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 80.6 mt 55.56 48.97 17.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.914 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.49 HD12 ' HD1' ' A' ' 96' ' ' TYR . 1.9 tm? -81.79 109.47 16.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.955 179.829 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 45.4 p -133.77 158.12 44.15 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.139 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.418 HG23 ' CZ ' ' A' ' 96' ' ' TYR . 21.4 t -94.78 84.4 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.115 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 16' ' ' VAL . 25.4 t70 -36.07 -60.22 0.56 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.861 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.566 ' O ' HG23 ' A' ' 19' ' ' VAL . 20.9 t -157.81 177.7 11.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.823 -179.757 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.859 HG13 HG12 ' A' ' 24' ' ' VAL . 39.8 t -160.15 147.98 6.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.126 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -133.51 158.11 43.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.128 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.708 ' OD1' HG23 ' A' ' 74' ' ' THR . 6.4 m-20 -59.75 -15.18 18.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.853 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 29.7 p -98.84 -53.32 3.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.113 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 16.6 p -139.64 163.08 33.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.114 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.859 HG12 HG13 ' A' ' 19' ' ' VAL . 31.0 m -111.5 163.82 7.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.123 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 28.8 m -132.14 127.94 37.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.15 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 99.0 mmm -115.91 160.27 20.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.901 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.439 ' HD3' ' N ' ' A' ' 28' ' ' TRP . 0.0 OUTLIER -148.94 151.54 34.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.859 -179.935 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.547 ' CZ3' HD12 ' A' ' 44' ' ' LEU . 26.5 p90 -163.62 172.63 14.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.889 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 16.2 mtt180 -123.43 154.49 65.99 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.601 0.715 . . . . 0.0 110.908 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 168.57 21.2 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.705 2.27 . . . . 0.0 112.308 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 153.9 68.33 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.722 2.282 . . . . 0.0 112.308 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -39.52 -50.01 2.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.854 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.55 ' C ' HD12 ' A' ' 34' ' ' ILE . 9.6 t-80 -162.71 157.48 21.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.866 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.707 ' N ' HD12 ' A' ' 34' ' ' ILE . 1.2 mp . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.135 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.456 -0.258 . . . . 0.0 112.456 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 7.3 tp -132.98 124.8 28.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.807 0.337 . . . . 0.0 110.912 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.412 ' O ' ' C ' ' A' ' 41' ' ' GLY . 19.9 m-20 -110.49 95.13 5.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 179.823 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.465 ' C ' ' CG ' ' A' ' 42' ' ' TYR . . . 36.84 -134.91 0.75 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.499 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.465 ' CG ' ' C ' ' A' ' 41' ' ' GLY . 1.4 m-85 -157.99 169.41 24.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.9 0.381 . . . . 0.0 110.92 -179.816 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 95.0 t -133.79 127.54 52.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.112 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.547 HD12 ' CZ3' ' A' ' 28' ' ' TRP . 8.4 tt -122.08 130.56 53.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.906 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 76.4 mt-10 -134.46 153.71 51.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.91 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 26.4 p90 -134.18 137.32 44.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.928 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.51 ' HB2' ' CD2' ' A' ' 54' ' ' TRP . 26.1 t -107.82 133.79 51.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.867 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -90.66 147.83 23.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.868 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -59.78 133.59 56.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.931 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 94.38 -48.03 2.14 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.522 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 68.0 p -74.44 118.36 17.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.745 0.307 . . . . 0.0 111.111 -179.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -83.33 37.82 0.58 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -144.49 138.37 27.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.851 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.51 ' CD2' ' HB2' ' A' ' 47' ' ' CYS . 85.9 m95 -82.84 135.77 34.84 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.946 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 5.2 mp -98.43 122.4 50.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.133 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.422 HG12 ' O ' ' A' ' 58' ' ' ASN . 36.8 t -70.86 130.53 34.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.178 179.811 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -93.42 -49.42 5.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.082 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.422 ' O ' HG12 ' A' ' 56' ' ' VAL . 11.3 p-10 -83.06 165.89 19.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 5.5 ptpt -91.17 -49.37 6.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.927 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 16.3 t0 -125.47 -74.92 0.6 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.838 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 43.5 mt -137.9 173.43 11.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.946 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 24.6 mt -116.47 125.19 73.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.149 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 12.7 t0 -84.07 -57.95 2.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 42.1 mttp -68.96 164.99 20.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.885 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -85.52 -4.36 59.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.131 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 17.6 mtmt -119.05 163.4 17.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.864 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.494 ' CD1' ' N ' ' A' ' 68' ' ' THR . 21.1 t80 -153.89 154.45 33.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.888 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.494 ' N ' ' CD1' ' A' ' 67' ' ' PHE . 7.3 m -130.2 123.03 29.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.116 -179.865 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.432 ' HB ' HG22 ' A' ' 24' ' ' VAL . 52.4 mt -87.22 103.65 13.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.15 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 48.8 p -86.41 137.08 32.84 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.118 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 91.87 65.19 1.14 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.507 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 19.9 mt -132.68 132.6 22.72 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.566 0.698 . . . . 0.0 110.913 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.449 ' O ' HG11 ' A' ' 102' ' ' VAL . 53.5 Cg_endo -69.78 130.74 19.84 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.673 2.248 . . . . 0.0 112.339 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.708 HG23 ' OD1' ' A' ' 21' ' ' ASP . 81.5 m -59.51 137.51 57.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.104 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 14.9 t70 69.59 49.81 0.54 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.863 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.503 ' O ' HD12 ' A' ' 101' ' ' LEU . . . -130.95 139.57 50.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.07 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 43.5 mttp -96.45 126.09 41.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.876 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 14.2 pt -139.24 146.59 25.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.151 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 64.6 m-85 -99.74 138.79 36.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 40.3 t -117.19 145.54 22.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.12 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.448 ' HG2' ' CZ3' ' A' ' 54' ' ' TRP . 4.1 ptp180 -146.84 133.46 19.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.907 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 21.1 m -126.97 128.15 70.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.111 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 28.9 pttt -131.99 163.86 27.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.939 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -100.67 135.77 41.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.107 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 87.5 t -119.69 135.11 61.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.147 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.487 ' N ' ' ND2' ' A' ' 86' ' ' ASN . 0.0 OUTLIER -144.4 167.59 22.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.856 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -39.02 -44.01 1.05 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.125 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -56.44 -52.8 63.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.063 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 172.39 -130.92 2.01 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.449 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -128.22 161.26 29.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.818 0.342 . . . . 0.0 111.098 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 2.8 m -104.12 167.38 9.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.859 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -62.45 142.4 96.35 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.643 0.735 . . . . 0.0 110.89 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 147.38 62.53 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.674 2.249 . . . . 0.0 112.341 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 2.2 tppt? -107.47 99.79 9.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 28.1 m-85 -84.61 116.02 22.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.927 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . 0.49 ' HD1' HD12 ' A' ' 14' ' ' LEU . 4.6 t80 -55.93 177.86 0.05 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 68.9 m -78.53 -71.53 0.43 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.848 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 47.6 mt-30 -102.72 154.14 37.71 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.61 0.719 . . . . 0.0 110.922 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 112.22 3.02 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.684 2.256 . . . . 0.0 112.334 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 15.8 mt -54.05 111.19 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.145 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.503 HD12 ' O ' ' A' ' 76' ' ' ALA . 31.9 tp -92.79 91.18 7.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.449 HG11 ' O ' ' A' ' 73' ' ' PRO . 2.5 p -39.19 93.48 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.151 179.807 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . 0.465 ' N ' ' O ' ' A' ' 101' ' ' LEU . 25.2 tptt -144.6 145.03 31.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.89 179.973 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 N-CA-C 112.449 -0.261 . . . . 0.0 112.449 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.1 p -90.99 173.07 8.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.832 0.349 . . . . 0.0 111.13 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 22.1 m -97.82 149.85 36.15 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.677 0.751 . . . . 0.0 110.874 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 169.75 18.2 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.631 2.221 . . . . 0.0 112.316 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.573 ' HG2' HG23 ' A' ' 82' ' ' VAL . 53.5 Cg_endo -69.76 121.07 7.77 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.676 2.25 . . . . 0.0 112.321 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 42.2 p -101.79 176.77 5.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.173 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.691 HD12 ' NE ' ' A' ' 29' ' ' ARG . 13.4 mt 56.28 45.63 22.66 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.918 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.649 ' C ' HD13 ' A' ' 14' ' ' LEU . 2.0 tm? -85.59 109.13 18.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.937 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.42 ' N ' HD13 ' A' ' 14' ' ' LEU . 5.1 t -135.0 157.63 46.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.16 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 44.8 t -77.27 89.28 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.124 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -45.4 -58.91 2.99 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 17.0 m -154.23 171.52 19.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.827 -179.709 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 1.033 HG13 HG12 ' A' ' 24' ' ' VAL . 58.2 t -151.99 136.78 10.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.115 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.529 HG23 ' OE2' ' A' ' 104' ' ' GLU . 24.9 m -133.96 137.44 44.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.203 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -38.3 -30.86 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.868 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.425 ' N ' ' O ' ' A' ' 20' ' ' THR . 38.2 p -83.55 -63.24 1.39 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.178 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 54.3 p -130.81 165.92 21.96 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.109 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 1.033 HG12 HG13 ' A' ' 19' ' ' VAL . 34.2 m -118.93 154.67 21.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.121 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 28.0 m -118.48 142.97 47.06 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.125 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.458 ' HG3' HG11 ' A' ' 80' ' ' VAL . 84.3 mmm -140.06 120.97 14.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.936 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 10.8 ptt180 -102.82 152.1 21.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.863 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 34.3 p90 -153.59 165.63 35.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.691 ' NE ' HD12 ' A' ' 13' ' ' LEU . 1.7 ttp180 -121.37 139.07 29.02 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.636 0.731 . . . . 0.0 110.848 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 166.19 28.4 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.704 2.269 . . . . 0.0 112.338 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.448 ' HG2' ' CD1' ' A' ' 34' ' ' ILE . 53.9 Cg_endo -69.75 138.99 39.18 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.697 2.265 . . . . 0.0 112.349 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -62.08 -46.92 86.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.864 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.798 ' O ' HD13 ' A' ' 34' ' ' ILE . 28.6 t-80 -93.12 141.89 27.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.862 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.798 HD13 ' O ' ' A' ' 33' ' ' HIS . 22.4 mm . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.137 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.522 ' HA2' HG22 ' A' ' 34' ' ' ILE . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.435 HD21 ' CE1' ' A' ' 42' ' ' TYR . 21.9 tp -130.17 136.58 49.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.79 0.329 . . . . 0.0 110.924 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -122.09 94.78 4.41 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.863 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 43.46 -161.66 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.512 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.435 ' CE1' HD21 ' A' ' 39' ' ' LEU . 4.7 m-85 -139.38 -178.09 5.22 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.914 0.388 . . . . 0.0 110.934 -179.792 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 95.9 t -140.21 135.67 36.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.111 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.615 HD23 ' CB ' ' A' ' 57' ' ' ALA . 4.6 tp -112.69 136.7 51.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.907 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -144.28 133.38 22.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 25.2 p90 -126.86 145.77 50.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.866 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.525 ' HB2' ' CD2' ' A' ' 54' ' ' TRP . 19.3 t -114.06 99.96 8.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.896 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.464 ' HA ' HG22 ' A' ' 78' ' ' ILE . 4.2 t80 -53.94 157.12 2.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.918 -179.871 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -70.15 -42.09 72.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.856 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -89.51 40.24 3.06 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.517 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 29.6 p -140.9 -177.52 5.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.749 0.309 . . . . 0.0 111.136 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.3 pp20? -131.59 -35.56 1.29 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.916 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -96.71 145.31 25.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.897 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.525 ' CD2' ' HB2' ' A' ' 47' ' ' CYS . 55.9 m95 -70.92 123.28 21.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 18.0 mt -87.64 138.27 19.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.104 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.426 HG13 ' O ' ' A' ' 56' ' ' VAL . 7.4 p -91.57 122.64 43.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.13 179.833 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.615 ' CB ' HD23 ' A' ' 44' ' ' LEU . . . -73.95 -34.22 64.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.087 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.514 ' HB2' ' CE2' ' A' ' 67' ' ' PHE . 1.1 t30 -152.15 108.76 3.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.925 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -58.74 -58.26 9.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.853 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.497 ' O ' ' ND2' ' A' ' 58' ' ' ASN . 4.1 m-20 -53.05 -174.98 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.886 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 20.3 mt -97.35 134.37 40.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.927 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 6.6 mt -87.83 106.87 16.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.127 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -56.46 -65.22 0.65 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 20.6 mtmm -58.29 169.67 0.82 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.957 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 21.2 p -99.01 34.07 2.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.102 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 16.4 ttpp -158.05 135.85 10.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.842 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.514 ' CE2' ' HB2' ' A' ' 58' ' ' ASN . 35.6 t80 -131.84 156.05 46.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.848 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.423 ' N ' ' CD1' ' A' ' 67' ' ' PHE . 89.3 m -131.03 102.45 6.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.121 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.459 HD12 ' CG2' ' A' ' 24' ' ' VAL . 39.6 mt -48.89 139.35 3.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.119 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 58.5 p -112.36 128.73 56.37 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.185 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 85.47 79.81 1.14 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.511 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 20.4 mt -136.97 130.37 17.52 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.591 0.71 . . . . 0.0 110.933 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 129.14 17.05 Favored 'Trans proline' 0 N--CA 1.465 -0.195 0 C-N-CA 122.699 2.266 . . . . 0.0 112.339 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 18.4 m -59.4 143.48 49.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.1 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 14.3 t70 66.53 47.85 1.59 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -133.9 146.11 50.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.091 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.451 ' HG3' HD13 ' A' ' 101' ' ' LEU . 45.7 mttm -104.67 145.04 30.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.915 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.464 HG22 ' HA ' ' A' ' 48' ' ' PHE . 2.7 pp -153.15 156.24 5.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.148 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 37.9 m-85 -100.76 128.51 46.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.647 HG23 HD13 ' A' ' 100' ' ' ILE . 92.5 t -108.45 141.07 24.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.122 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.429 ' HG2' ' CZ3' ' A' ' 54' ' ' TRP . 46.1 ptt85 -159.56 131.96 6.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.895 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.606 ' CG1' HD12 ' A' ' 44' ' ' LEU . 14.4 m -118.97 148.04 22.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.111 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 43.1 pttt -139.88 139.53 36.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.863 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -70.33 137.93 51.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.095 179.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 86.4 t -125.39 129.02 73.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.148 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -143.82 173.01 12.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.904 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -42.47 -56.24 3.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.126 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -48.24 -54.15 14.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.098 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 176.59 -113.96 0.46 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.486 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -151.46 166.8 29.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.766 0.317 . . . . 0.0 111.091 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 69.6 m -105.33 166.97 10.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.848 -179.783 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -57.87 144.18 75.21 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.617 0.722 . . . . 0.0 110.903 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 142.66 48.4 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.665 2.243 . . . . 0.0 112.346 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.57 108.21 20.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.89 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 57.9 m-85 -92.79 123.28 35.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.894 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -65.26 179.37 0.75 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.898 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.2 t -79.25 -68.12 0.69 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.874 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 18.1 mm-40 -105.68 155.05 38.78 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.641 0.734 . . . . 0.0 110.888 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 125.2 11.87 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.646 2.231 . . . . 0.0 112.358 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.728 ' H ' HD12 ' A' ' 100' ' ' ILE . 4.8 mp -68.04 138.23 23.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.105 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.454 ' O ' ' N ' ' A' ' 103' ' ' LYS . 8.8 tp -118.69 110.69 17.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.541 HG13 ' O ' ' A' ' 102' ' ' VAL . 5.1 p -58.57 81.19 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.122 179.78 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . 0.454 ' N ' ' O ' ' A' ' 101' ' ' LEU . 19.4 tptp -136.97 145.66 44.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.529 ' OE2' HG23 ' A' ' 20' ' ' THR . 7.4 tt0 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.906 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.443 -0.263 . . . . 0.0 112.443 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.977 ' CG2' HG23 ' A' ' 34' ' ' ILE . 3.3 p -83.66 165.03 19.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.838 0.352 . . . . 0.0 111.112 -179.833 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 67.1 m -88.78 150.03 44.97 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.632 0.73 . . . . 0.0 110.887 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 166.2 28.4 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.719 2.279 . . . . 0.0 112.337 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 117.61 5.19 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.711 2.274 . . . . 0.0 112.309 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 47.0 p -100.02 -178.59 3.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.12 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 19.9 mt 54.76 46.54 24.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.925 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -82.44 114.58 20.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.95 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 6.6 t -144.61 156.91 44.36 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.108 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 8.7 t -85.61 102.4 11.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.105 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -54.33 -62.34 1.72 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.876 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.5 t -146.48 172.06 14.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.896 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.712 HG13 HG12 ' A' ' 24' ' ' VAL . 71.8 t -150.86 128.0 2.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.15 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.466 ' O ' ' N ' ' A' ' 22' ' ' THR . 7.5 m -124.79 133.63 53.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.129 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -39.85 -25.82 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.897 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.466 ' N ' ' O ' ' A' ' 20' ' ' THR . 16.6 p -87.36 -55.29 3.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.168 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 48.4 p -140.6 162.11 36.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.113 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.712 HG12 HG13 ' A' ' 19' ' ' VAL . 32.9 m -115.22 152.35 16.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.128 179.83 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 11.5 m -123.43 138.08 54.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.104 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.424 ' HG3' HG11 ' A' ' 80' ' ' VAL . 63.7 mmm -122.27 166.79 14.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.895 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 7.7 ptm180 -150.12 146.81 27.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.933 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 13.2 p90 -157.27 167.13 31.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.919 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 17.6 mtt180 -119.2 154.95 53.87 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.573 0.702 . . . . 0.0 110.867 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 166.05 28.93 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.649 2.232 . . . . 0.0 112.345 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.456 ' HG2' HD11 ' A' ' 34' ' ' ILE . 53.9 Cg_endo -69.71 145.35 57.13 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.734 2.29 . . . . 0.0 112.327 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.425 ' C ' ' O ' ' A' ' 31' ' ' PRO . 5.3 t0 -35.63 -48.15 0.51 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.831 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 13.3 t-80 -161.15 147.02 14.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.87 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.977 HG23 ' CG2' ' A' ' 8' ' ' THR . 4.1 mp . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.127 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 6.3 tp -115.26 138.94 50.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.828 0.347 . . . . 0.0 110.904 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.414 ' O ' ' C ' ' A' ' 41' ' ' GLY . 14.8 m-20 -119.63 99.74 6.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.855 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.414 ' C ' ' O ' ' A' ' 40' ' ' ASP . . . 36.59 -147.46 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.524 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -150.46 156.23 41.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.925 0.393 . . . . 0.0 110.904 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 95.0 t -110.32 127.24 67.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.135 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 5.0 tt -122.06 132.9 54.73 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.891 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 56.9 mt-10 -134.72 164.95 26.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.872 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 13.9 p90 -146.16 141.78 27.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.94 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.581 ' HB2' ' CE3' ' A' ' 54' ' ' TRP . 53.1 t -110.26 117.18 32.96 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.823 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -79.02 135.68 36.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.895 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -51.09 136.62 23.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.886 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 99.53 -46.82 1.38 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.496 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 61.4 p -82.09 120.79 25.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.759 0.314 . . . . 0.0 111.161 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -82.57 39.43 0.61 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -142.19 145.36 34.06 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.583 ' CH2' ' HG3' ' A' ' 81' ' ' ARG . 74.1 m95 -90.1 112.35 23.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.898 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 22.8 mt -78.82 151.32 5.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.138 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 90.1 t -91.99 124.28 44.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.145 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -81.09 -39.85 25.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.091 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.647 ' OD1' HD11 ' A' ' 62' ' ' ILE . 3.9 p-10 -143.19 129.55 19.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.861 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.72 -50.37 10.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.923 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 75.1 m-20 -68.76 176.84 2.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.87 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 4.3 mt -85.58 136.54 33.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.922 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.647 HD11 ' OD1' ' A' ' 58' ' ' ASN . 21.1 mt -86.82 107.44 16.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.141 179.851 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 -65.13 -60.73 2.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.841 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 70.9 mmtt -57.51 171.31 0.45 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.925 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 16.8 p -101.16 21.04 14.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.15 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 18.4 mtmm -142.34 154.9 45.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.931 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 58.9 t80 -145.75 149.91 35.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.926 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 89.7 m -134.99 98.51 4.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.144 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 54.8 mt -50.38 126.07 4.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.146 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 20.4 p -100.4 132.63 45.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.133 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 83.96 79.38 1.07 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.476 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 13.7 mt -135.84 133.01 19.68 Favored Pre-proline 0 C--N 1.327 -0.375 0 CA-C-O 121.573 0.701 . . . . 0.0 110.959 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.678 ' O ' HG11 ' A' ' 102' ' ' VAL . 53.8 Cg_endo -69.79 141.63 45.63 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.679 2.253 . . . . 0.0 112.335 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 42.9 m -68.01 142.3 55.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.155 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 60.87 47.97 7.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.631 ' O ' HD12 ' A' ' 101' ' ' LEU . . . -124.53 140.75 52.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.034 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 38.4 mttp -97.36 129.57 44.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.452 ' C ' HD12 ' A' ' 78' ' ' ILE . 2.7 pp -142.58 163.34 17.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.108 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.526 ' CE1' ' HB3' ' A' ' 99' ' ' PRO . 92.0 m-85 -113.44 149.78 33.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.943 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.452 HG23 HD13 ' A' ' 100' ' ' ILE . 71.4 t -123.49 128.44 74.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.119 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.601 ' NE ' ' CD2' ' A' ' 95' ' ' TYR . 40.6 mmt-85 -131.71 133.11 44.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.854 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 27.9 m -130.2 145.4 35.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.101 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 17.0 pttm -156.42 157.61 35.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.922 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -81.06 154.64 26.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.105 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 96.7 t -148.84 130.22 5.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.085 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -146.03 170.19 17.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.886 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -42.21 -48.15 4.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.097 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -55.49 -60.59 3.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.066 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -176.69 -151.1 8.68 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.499 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -125.64 163.29 23.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.807 0.337 . . . . 0.0 111.09 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.8 t -102.76 166.17 10.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.841 -179.736 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -54.13 142.23 48.02 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.6 0.714 . . . . 0.0 110.894 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 136.04 32.04 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.708 2.272 . . . . 0.0 112.317 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 20.4 tptp -87.12 123.33 32.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.9 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . 0.601 ' CD2' ' NE ' ' A' ' 81' ' ' ARG . 51.1 m-85 -106.81 112.34 25.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.904 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . 0.545 ' CD1' ' N ' ' A' ' 97' ' ' SER . 28.4 t80 -62.47 166.09 5.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.934 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . 0.545 ' N ' ' CD1' ' A' ' 96' ' ' TYR . 41.0 m -70.8 -73.78 0.16 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.862 -179.838 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 15.0 pt20 -102.72 152.4 38.43 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.615 0.721 . . . . 0.0 110.886 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . 0.526 ' HB3' ' CE1' ' A' ' 79' ' ' PHE . 54.2 Cg_endo -69.71 138.32 37.69 Favored 'Trans proline' 0 C--O 1.232 0.219 0 C-N-CA 122.692 2.262 . . . . 0.0 112.356 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.704 ' H ' HD12 ' A' ' 100' ' ' ILE . 3.5 mp -80.21 130.99 35.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.122 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.631 HD12 ' O ' ' A' ' 76' ' ' ALA . 25.7 tp -113.82 104.67 12.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.919 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.678 HG11 ' O ' ' A' ' 73' ' ' PRO . 3.1 p -50.17 90.87 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.157 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . 0.424 ' N ' ' O ' ' A' ' 101' ' ' LEU . 0.4 OUTLIER -137.94 143.68 40.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 179.955 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 179.965 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.587 HG22 ' HA ' ' A' ' 34' ' ' ILE . 0.8 OUTLIER -83.96 167.35 17.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.78 0.324 . . . . 0.0 111.167 -179.879 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.6 t -85.92 149.66 51.11 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.681 0.753 . . . . 0.0 110.858 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 169.4 18.99 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.662 2.241 . . . . 0.0 112.372 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 130.27 19.02 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.654 2.236 . . . . 0.0 112.376 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 71.1 p -118.24 176.93 5.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.107 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.418 HD23 ' HA ' ' A' ' 13' ' ' LEU . 11.7 mt 59.02 46.52 13.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.923 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -81.86 125.16 30.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.942 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.3 t -154.92 153.64 31.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.156 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 10.2 t -76.69 120.19 26.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.118 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -77.37 -65.27 0.98 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.6 m -136.52 152.45 50.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 42.0 t -140.83 126.67 19.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.129 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.7 m -133.91 141.29 47.29 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.141 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -45.45 -22.88 0.17 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.879 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 74.2 p -86.06 -56.66 3.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.147 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.8 p -143.89 169.89 16.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.163 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 27.2 m -124.38 160.31 29.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.128 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 76.9 m -136.13 132.44 36.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.142 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.721 ' HG3' HG11 ' A' ' 80' ' ' VAL . 87.3 mmm -119.26 150.23 40.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.915 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 15.5 ptt180 -127.8 158.8 36.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.88 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 14.4 p90 -162.08 169.92 20.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.919 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -121.69 150.86 56.25 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.576 0.703 . . . . 0.0 110.882 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 169.55 18.74 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.686 2.257 . . . . 0.0 112.296 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.66 147.17 62.91 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.682 2.255 . . . . 0.0 112.334 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -62.4 -50.64 70.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 1.9 t-160 -114.15 137.71 51.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.587 ' HA ' HG22 ' A' ' 8' ' ' THR . 1.8 mt . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.171 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.608 HD21 ' OH ' ' A' ' 42' ' ' TYR . 21.4 tp -128.52 136.83 51.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.824 0.345 . . . . 0.0 110.925 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.424 ' O ' ' C ' ' A' ' 41' ' ' GLY . 65.8 m-20 -121.7 95.34 4.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.901 179.831 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.477 ' C ' ' CD1' ' A' ' 42' ' ' TYR . . . 36.26 -149.31 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.433 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.608 ' OH ' HD21 ' A' ' 39' ' ' LEU . 2.5 m-85 -153.37 171.1 19.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.972 0.415 . . . . 0.0 110.903 -179.802 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 85.4 t -127.26 132.71 69.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.106 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.561 HD13 ' HB3' ' A' ' 67' ' ' PHE . 10.2 tt -128.61 139.05 52.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 64.3 mt-10 -147.54 147.77 30.47 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.447 ' HB2' HD12 ' A' ' 78' ' ' ILE . 30.1 p90 -128.27 132.08 48.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.902 -179.855 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 15.2 t -99.29 122.74 42.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.897 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -72.39 166.48 22.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.916 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -76.46 128.18 34.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.856 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 83.17 15.93 70.77 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.518 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 71.3 p -123.48 127.43 48.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.721 0.295 . . . . 0.0 111.15 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -96.01 25.35 4.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.916 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -135.31 119.79 18.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.849 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.475 ' CZ3' ' HG2' ' A' ' 81' ' ' ARG . 83.9 m95 -70.67 131.61 44.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.884 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 89.2 mt -91.73 130.21 41.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.107 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 98.5 t -78.9 118.96 27.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.117 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.47 ' HB1' ' CE1' ' A' ' 67' ' ' PHE . . . -85.38 -47.58 9.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.086 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 25.4 p-10 -90.34 133.37 35.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 2.4 tppp? -60.0 -64.58 0.9 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.915 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -110.78 -74.43 0.65 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.823 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 28.9 mt -141.85 158.25 44.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.421 HG22 ' H ' ' A' ' 64' ' ' LYS . 41.9 mt -102.74 118.36 49.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.105 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -97.07 43.81 1.06 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.829 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.421 ' H ' HG22 ' A' ' 62' ' ' ILE . 28.1 mtpt -157.1 159.39 37.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.902 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 5.2 p -87.81 8.51 25.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.162 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 14.3 mtmt -143.88 154.06 42.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.928 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.561 ' HB3' HD13 ' A' ' 44' ' ' LEU . 21.0 t80 -147.42 144.66 28.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.854 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 17.7 m -124.31 119.21 28.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.117 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 28.6 mt -79.05 103.21 5.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.156 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 65.2 p -82.35 135.95 35.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.155 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 90.03 61.26 1.35 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.501 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 13.6 mt -129.96 131.56 23.56 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.596 0.712 . . . . 0.0 110.966 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 164.33 34.95 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.701 2.268 . . . . 0.0 112.344 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.603 HG22 ' N ' ' A' ' 75' ' ' ASP . 83.8 m -84.71 163.84 18.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.127 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.603 ' N ' HG22 ' A' ' 74' ' ' THR . 0.3 OUTLIER 47.17 28.58 0.99 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.886 179.919 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.463 ' O ' HG12 ' A' ' 102' ' ' VAL . . . -101.01 145.75 28.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.114 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 12.3 mmtp -111.75 121.09 44.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.447 HD12 ' HB2' ' A' ' 46' ' ' TYR . 9.2 pt -133.97 160.87 41.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.117 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 93.8 m-85 -109.8 133.54 53.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.848 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.721 HG11 ' HG3' ' A' ' 26' ' ' MET . 96.3 t -108.42 137.64 39.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.114 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.475 ' HG2' ' CZ3' ' A' ' 54' ' ' TRP . 13.7 ptt180 -148.55 135.9 20.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.847 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 29.9 m -129.75 160.27 40.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.149 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 23.3 pttm -154.65 173.81 15.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.854 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -107.39 116.37 31.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.064 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 95.6 t -111.12 130.18 65.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.137 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.446 ' N ' ' ND2' ' A' ' 86' ' ' ASN . 0.0 OUTLIER -139.43 173.62 11.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.879 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -51.55 -43.3 62.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.09 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -55.75 -61.22 2.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.073 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -170.93 -141.01 3.18 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.474 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -130.66 155.57 46.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.774 0.321 . . . . 0.0 111.124 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.8 m -102.22 168.96 9.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.859 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -65.41 144.73 99.04 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.642 0.734 . . . . 0.0 110.875 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 147.15 62.22 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.706 2.27 . . . . 0.0 112.311 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 25.5 tptt -122.93 112.44 17.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.933 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -101.51 139.6 36.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.927 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -65.66 167.37 9.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.916 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.2 t -68.75 -64.62 0.83 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.908 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -103.41 155.91 36.16 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.537 0.684 . . . . 0.0 110.914 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 146.29 59.61 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.68 2.254 . . . . 0.0 112.334 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.67 HD13 HG23 ' A' ' 80' ' ' VAL . 5.2 mp -88.85 110.83 21.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.125 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.431 HD21 ' HZ1' ' A' ' 103' ' ' LYS . 16.1 tp -87.48 103.23 15.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.717 HG22 ' O ' ' A' ' 102' ' ' VAL . 0.7 OUTLIER -62.16 84.95 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.126 179.823 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . 0.498 ' HZ3' ' HB2' ' A' ' 103' ' ' LYS . 0.0 OUTLIER -136.43 149.56 48.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.853 179.927 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.426 ' N ' ' HG3' ' A' ' 103' ' ' LYS . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 N-CA-C 112.521 -0.232 . . . . 0.0 112.521 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -128.08 170.67 12.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.794 0.33 . . . . 0.0 111.123 -179.855 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 18.8 m -94.36 147.33 33.13 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.643 0.735 . . . . 0.0 110.867 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 169.59 18.51 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.717 2.278 . . . . 0.0 112.351 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.624 ' HG2' HG23 ' A' ' 82' ' ' VAL . 54.0 Cg_endo -69.69 129.83 18.36 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.726 2.284 . . . . 0.0 112.376 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 43.1 p -120.32 179.54 4.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.132 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 16.7 mt 53.29 46.0 27.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.451 ' C ' HD13 ' A' ' 14' ' ' LEU . 3.0 tm? -86.16 112.56 21.43 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.916 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 51.1 p -137.01 157.97 45.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.178 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.483 ' CG1' HG23 ' A' ' 19' ' ' VAL . 6.7 t -85.13 99.29 7.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.126 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -56.65 -60.95 2.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.861 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 15.8 p -146.18 154.91 42.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.819 -179.755 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.483 HG23 ' CG1' ' A' ' 16' ' ' VAL . 25.4 t -142.87 128.58 16.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.126 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -120.11 151.42 39.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.163 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -53.94 -17.17 2.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.865 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 3.0 p -98.12 -61.62 1.36 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.129 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 23.1 p -125.91 168.64 13.61 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.16 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.924 ' O ' HG23 ' A' ' 68' ' ' THR . 16.5 m -121.71 155.52 26.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.13 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 19.0 m -126.28 136.09 52.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.116 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 93.2 mmm -124.97 157.14 36.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.866 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 11.1 ptm180 -140.39 140.3 35.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.924 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 11.3 p90 -149.05 165.63 31.13 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.951 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 25.1 mtt180 -119.52 157.01 52.83 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.609 0.719 . . . . 0.0 110.812 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 169.14 19.69 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.632 2.222 . . . . 0.0 112.34 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.458 ' HG2' ' CD1' ' A' ' 34' ' ' ILE . 53.8 Cg_endo -69.78 144.82 55.12 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.656 2.237 . . . . 0.0 112.335 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.447 ' C ' ' O ' ' A' ' 31' ' ' PRO . 25.5 t0 -34.71 -39.41 0.09 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 26.2 t60 -160.3 170.91 20.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.458 ' CD1' ' HG2' ' A' ' 31' ' ' PRO . 43.0 mm . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.114 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.5 tp -133.78 134.4 42.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.792 0.33 . . . . 0.0 110.909 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -124.16 98.05 5.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.836 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.432 ' C ' ' CG ' ' A' ' 42' ' ' TYR . . . 41.76 -147.19 0.5 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.484 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.432 ' CG ' ' C ' ' A' ' 41' ' ' GLY . 2.2 m-85 -156.93 175.67 13.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.9 0.381 . . . . 0.0 110.935 -179.804 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 69.5 t -125.8 133.31 69.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.128 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.457 HD13 ' HB3' ' A' ' 67' ' ' PHE . 9.6 tt -136.31 131.46 34.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.924 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -144.59 170.81 15.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 6.0 p90 -139.48 140.52 37.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.875 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 4.7 t -110.39 91.16 3.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.9 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -49.67 157.71 0.53 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.825 -179.809 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -77.92 135.68 37.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.872 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 97.72 -44.3 1.85 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.473 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 19.3 p -68.89 -41.23 78.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.754 0.312 . . . . 0.0 111.153 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 67.82 26.43 7.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.879 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -133.0 142.2 48.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.88 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.548 ' CZ3' ' HG2' ' A' ' 81' ' ' ARG . 88.7 m95 -87.75 110.59 20.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 17.4 mt -83.91 138.98 18.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.121 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 70.5 t -71.67 112.88 7.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.11 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.466 ' HB1' ' CE1' ' A' ' 67' ' ' PHE . . . -80.05 -64.15 1.25 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.083 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.496 ' HB3' ' CE2' ' A' ' 67' ' ' PHE . 7.5 p-10 -84.31 98.11 9.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.918 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 34.0 ttmt -44.66 -34.53 2.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.427 ' O ' ' C ' ' A' ' 61' ' ' LEU . 10.7 m-20 -128.49 147.17 50.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.866 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.427 ' C ' ' O ' ' A' ' 60' ' ' ASP . 35.1 mt -34.74 142.65 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 10.2 mt -90.68 139.81 17.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.159 179.802 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -103.98 -49.24 3.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.829 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 26.8 mmtt -69.28 166.56 18.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.921 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 44.4 p -94.84 35.62 1.24 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.164 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 18.1 ttmt -160.38 143.42 13.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.496 ' CE2' ' HB3' ' A' ' 58' ' ' ASN . 51.8 t80 -142.94 156.71 44.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.889 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.924 HG23 ' O ' ' A' ' 24' ' ' VAL . 93.6 m -139.46 130.42 26.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.154 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 20.9 mt -86.45 120.44 36.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.103 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 40.9 p -97.92 128.99 44.86 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.151 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 95.01 72.78 1.17 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.49 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 51.1 mt -137.96 135.32 18.61 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.684 0.754 . . . . 0.0 110.871 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.718 ' O ' HG11 ' A' ' 102' ' ' VAL . 53.5 Cg_endo -69.75 153.51 68.89 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.644 2.23 . . . . 0.0 112.34 179.849 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 43.2 m -79.56 144.39 33.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.154 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 39.0 t70 66.87 37.55 4.0 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.81 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.418 ' O ' HG12 ' A' ' 102' ' ' VAL . . . -119.33 149.81 41.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.128 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 2.8 mtmp? -111.88 125.23 53.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.403 ' C ' HD12 ' A' ' 78' ' ' ILE . 2.8 pp -129.52 153.89 39.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.097 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 89.3 m-85 -101.47 136.41 41.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.907 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 71.8 t -117.08 131.98 68.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.119 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.548 ' HG2' ' CZ3' ' A' ' 54' ' ' TRP . 0.2 OUTLIER -146.42 124.96 12.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.624 HG23 ' HG2' ' A' ' 11' ' ' PRO . 10.2 m -105.88 161.01 5.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.153 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 19.8 ttpt -154.88 148.77 25.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -101.65 142.11 33.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.119 179.792 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 2.8 t -132.37 132.64 60.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.139 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.489 ' N ' ' ND2' ' A' ' 86' ' ' ASN . 0.0 OUTLIER -146.52 -178.52 6.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.866 -179.961 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -47.13 -50.51 20.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.094 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -53.62 -25.82 19.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.117 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 140.11 -116.98 1.24 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.527 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -144.42 155.77 43.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.817 0.341 . . . . 0.0 111.089 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 92.6 p -101.15 169.59 8.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.859 -179.803 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -65.72 141.8 97.92 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.668 0.747 . . . . 0.0 110.871 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 145.76 57.98 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.692 2.262 . . . . 0.0 112.353 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 38.9 tptt -103.27 99.35 9.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.886 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -81.83 133.7 35.35 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.933 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . 0.502 ' CD1' ' O ' ' A' ' 98' ' ' GLN . 1.9 t80 -77.1 129.68 36.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 30.7 t -42.0 -72.37 0.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.825 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . 0.502 ' O ' ' CD1' ' A' ' 96' ' ' TYR . 3.6 pt20 -103.83 148.77 36.34 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.549 0.69 . . . . 0.0 110.919 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 158.51 56.72 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.7 2.267 . . . . 0.0 112.327 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 11.3 mt -100.04 139.35 21.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.109 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.497 ' O ' ' N ' ' A' ' 103' ' ' LYS . 9.8 tp -107.07 99.12 8.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.718 HG11 ' O ' ' A' ' 73' ' ' PRO . 7.3 p -50.72 86.55 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.125 179.83 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . 0.497 ' N ' ' O ' ' A' ' 101' ' ' LEU . 35.8 tptt -140.94 155.37 46.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.867 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.887 179.972 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.268 0 N-CA-C 112.459 -0.257 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.6 p -140.58 145.88 37.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.804 0.335 . . . . 0.0 111.154 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.5 m -80.13 149.64 70.04 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.647 0.737 . . . . 0.0 110.865 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 160.15 50.78 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.67 2.247 . . . . 0.0 112.336 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.517 ' HD3' ' HB2' ' A' ' 84' ' ' ALA . 53.8 Cg_endo -69.8 131.66 21.64 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.672 2.248 . . . . 0.0 112.316 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 69.8 p -114.87 -178.81 3.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.122 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 19.4 mt 57.01 37.05 28.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.949 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.467 HD13 ' O ' ' A' ' 14' ' ' LEU . 2.4 tm? -83.39 108.98 16.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.947 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.418 HG22 ' N ' ' A' ' 16' ' ' VAL . 35.5 m -143.61 154.5 43.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.138 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.539 HG22 ' SD ' ' A' ' 26' ' ' MET . 11.1 t -76.34 104.31 4.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.147 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -53.2 -61.07 2.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.897 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.2 m -155.96 150.05 25.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.859 -179.77 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.52 HG13 HG12 ' A' ' 24' ' ' VAL . 54.8 t -129.27 148.06 33.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.13 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.412 ' C ' ' N ' ' A' ' 22' ' ' THR . 19.6 m -147.24 148.16 31.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.132 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 85.2 m-20 -44.0 -22.66 0.06 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.855 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.412 ' N ' ' C ' ' A' ' 20' ' ' THR . 23.8 p -81.4 -69.64 0.59 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.145 -179.876 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.576 HG21 ' HA ' ' A' ' 70' ' ' THR . 71.4 p -141.27 168.93 18.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.131 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.52 HG12 HG13 ' A' ' 19' ' ' VAL . 35.2 m -105.83 153.73 7.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.136 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 29.1 m -129.09 126.54 39.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.149 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.539 ' SD ' HG22 ' A' ' 16' ' ' VAL . 28.5 mmm -118.19 163.3 16.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.89 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 10.4 ptm180 -146.56 151.45 37.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.893 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 27.2 p90 -160.52 176.73 11.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.927 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 19.2 mtt180 -131.57 158.05 76.43 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.639 0.733 . . . . 0.0 110.876 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 169.74 18.17 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.715 2.277 . . . . 0.0 112.334 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.429 ' O ' ' C ' ' A' ' 32' ' ' ASP . 53.7 Cg_endo -69.74 141.44 45.3 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.712 2.275 . . . . 0.0 112.354 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.429 ' C ' ' O ' ' A' ' 31' ' ' PRO . 10.8 m-20 -35.36 -51.84 0.61 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.864 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 50.2 m80 -131.53 159.45 38.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.832 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 2.6 mm . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.136 179.976 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -76.3 140.06 41.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.847 0.356 . . . . 0.0 110.888 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -118.98 94.09 4.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.806 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 46.93 -156.48 0.64 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.511 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.483 ' N ' ' CD1' ' A' ' 42' ' ' TYR . 0.1 OUTLIER -146.38 177.35 9.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.955 0.407 . . . . 0.0 110.921 -179.826 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 19.9 t -133.86 131.82 56.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.144 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.401 HD23 ' N ' ' A' ' 45' ' ' GLU . 7.3 tt -119.6 137.96 53.52 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.918 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.401 ' N ' HD23 ' A' ' 44' ' ' LEU . 21.4 mt-10 -141.82 147.13 36.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.881 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 13.7 p90 -129.12 138.71 51.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.89 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.552 ' HB2' ' CE3' ' A' ' 54' ' ' TRP . 12.0 t -109.53 116.64 32.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.941 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -67.2 163.27 20.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.927 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -66.61 -43.55 84.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.897 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -92.57 57.82 2.64 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.518 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 2.9 p -152.04 166.38 31.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.757 0.313 . . . . 0.0 111.147 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -124.02 4.22 8.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.907 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -143.95 144.99 31.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.839 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.552 ' CE3' ' HB2' ' A' ' 47' ' ' CYS . 96.5 m95 -66.17 157.96 29.96 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.957 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 12.2 mt -119.59 145.0 26.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.141 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.459 HG12 ' O ' ' A' ' 58' ' ' ASN . 73.6 t -94.35 126.44 46.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.11 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -91.95 -43.37 9.49 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.11 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.459 ' O ' HG12 ' A' ' 56' ' ' VAL . 8.2 p-10 -82.13 158.85 23.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.847 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 10.0 tppt? -84.45 -51.77 6.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.917 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -125.57 -65.7 0.99 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.864 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 23.6 mt -144.96 171.74 14.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.919 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.589 HG22 ' O ' ' A' ' 64' ' ' LYS . 52.6 mt -116.75 102.31 13.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.107 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -64.58 -61.41 2.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.589 ' O ' HG22 ' A' ' 62' ' ' ILE . 6.2 mtpm? -65.78 154.49 38.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 81.5 p -87.94 40.79 0.96 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.165 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 14.5 ttmt -160.13 140.93 12.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.862 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.508 ' CD1' ' N ' ' A' ' 68' ' ' THR . 10.2 t80 -137.67 156.1 48.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.893 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.508 ' N ' ' CD1' ' A' ' 67' ' ' PHE . 40.0 m -140.21 111.19 6.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.121 -179.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 46.6 mt -67.13 105.17 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.162 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.576 ' HA ' HG21 ' A' ' 23' ' ' THR . 35.9 p -82.73 131.58 35.2 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.12 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 91.21 71.84 1.22 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.483 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 10.9 mt -131.23 125.66 21.05 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.63 0.728 . . . . 0.0 110.918 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 128.54 16.21 Favored 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 122.714 2.276 . . . . 0.0 112.356 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.524 HG22 ' N ' ' A' ' 75' ' ' ASP . 89.7 m -50.57 159.29 0.53 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.112 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.524 ' N ' HG22 ' A' ' 74' ' ' THR . 1.2 p30 46.33 47.44 13.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.886 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.598 ' O ' HG12 ' A' ' 102' ' ' VAL . . . -126.93 142.4 51.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.086 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 64.2 mttt -102.64 141.18 35.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.401 HD12 ' C ' ' A' ' 78' ' ' ILE . 2.8 pp -148.14 -179.58 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.091 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 69.1 m-85 -127.97 149.57 50.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.857 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.698 HG23 HD13 ' A' ' 100' ' ' ILE . 96.7 t -128.4 120.99 54.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.118 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.603 ' NE ' ' CD1' ' A' ' 95' ' ' TYR . 34.2 mmt-85 -130.03 132.22 46.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.856 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 22.5 m -126.34 137.73 56.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.157 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 28.6 pttt -139.15 136.07 34.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.934 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.517 ' HB2' ' HD3' ' A' ' 11' ' ' PRO . . . -66.96 125.46 26.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.1 179.839 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 97.8 t -111.38 116.31 52.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.134 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.476 ' N ' ' ND2' ' A' ' 86' ' ' ASN . 0.1 OUTLIER -123.12 174.2 7.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.874 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.21 -39.24 93.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.052 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -69.15 -52.1 31.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.052 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -179.17 177.24 48.33 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.504 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -102.11 159.28 15.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.785 0.326 . . . . 0.0 111.131 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.3 t -102.72 161.84 13.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.85 -179.784 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 19.4 pt-20 -47.52 143.3 5.66 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.703 0.764 . . . . 0.0 110.863 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 138.3 37.6 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.741 2.294 . . . . 0.0 112.316 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 12.8 tptp -86.54 111.4 20.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.91 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . 0.603 ' CD1' ' NE ' ' A' ' 81' ' ' ARG . 31.1 m-85 -93.59 108.09 19.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.956 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . 0.409 ' CD1' ' N ' ' A' ' 97' ' ' SER . 2.5 t80 -62.07 137.22 58.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.924 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . 0.409 ' N ' ' CD1' ' A' ' 96' ' ' TYR . 30.5 t -40.99 -74.88 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.836 -179.847 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 -106.54 154.63 39.83 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.603 0.716 . . . . 0.0 110.877 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 154.64 67.6 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.68 2.253 . . . . 0.0 112.338 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.698 HD13 HG23 ' A' ' 80' ' ' VAL . 2.6 mp -92.53 127.37 44.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.118 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 16.7 tp -103.01 115.95 31.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.903 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.613 HG13 ' O ' ' A' ' 102' ' ' VAL . 7.2 p -65.97 76.45 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.13 179.797 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 20.3 tptp -139.15 142.21 38.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.89 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.865 179.967 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.583 HG22 ' H ' ' A' ' 9' ' ' SER . 0.6 OUTLIER -102.42 173.09 6.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.796 0.331 . . . . 0.0 111.146 -179.89 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.583 ' H ' HG22 ' A' ' 8' ' ' THR . 9.2 t -90.62 142.22 27.75 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.657 0.742 . . . . 0.0 110.92 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 169.72 18.18 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.699 2.266 . . . . 0.0 112.352 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 129.52 17.71 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.666 2.244 . . . . 0.0 112.333 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 57.1 p -110.44 -178.33 3.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.125 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.537 HD12 HH11 ' A' ' 29' ' ' ARG . 29.8 mt 50.31 48.82 21.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.87 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.437 ' C ' HD13 ' A' ' 14' ' ' LEU . 3.2 tm? -83.61 111.53 19.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.461 ' CG2' ' N ' ' A' ' 16' ' ' VAL . 4.7 m -151.87 155.89 39.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.127 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.595 HG21 HG12 ' A' ' 100' ' ' ILE . 21.8 t -71.61 141.41 16.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.126 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -100.64 -45.09 5.62 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.851 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.7 t -153.91 159.1 41.61 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.831 -179.726 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.504 HG13 HG12 ' A' ' 24' ' ' VAL . 90.5 t -147.99 130.58 7.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.139 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.654 HG22 ' H ' ' A' ' 21' ' ' ASP . 0.6 OUTLIER -125.86 176.32 7.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.101 -179.936 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.654 ' H ' HG22 ' A' ' 20' ' ' THR . 35.8 p-10 -82.99 4.78 24.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.873 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.2 p -121.37 -47.56 2.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.136 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.451 HG22 ' HA ' ' A' ' 70' ' ' THR . 44.8 p -145.95 160.63 41.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.127 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.518 ' CG2' HD12 ' A' ' 69' ' ' ILE . 13.3 m -117.53 147.1 21.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.102 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 5.2 m -113.51 147.26 38.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.179 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.414 ' SD ' HG22 ' A' ' 16' ' ' VAL . 91.0 mmm -130.94 159.96 35.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.913 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 8.0 ptm180 -148.75 154.78 40.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.866 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 27.0 p90 -160.38 177.9 10.12 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.943 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.537 HH11 HD12 ' A' ' 13' ' ' LEU . 0.1 OUTLIER -123.33 143.21 40.61 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.642 0.734 . . . . 0.0 110.861 -179.949 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.472 ' N ' ' HG3' ' A' ' 29' ' ' ARG . 53.5 Cg_endo -69.77 165.62 30.36 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.698 2.265 . . . . 0.0 112.315 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 139.03 39.19 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.68 2.253 . . . . 0.0 112.329 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -55.43 -41.92 73.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.858 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 15.2 t60 -113.01 163.97 14.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 16.8 mm . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.12 179.975 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.491 -0.243 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.585 HD12 ' OD1' ' A' ' 86' ' ' ASN . 9.5 tp -115.1 137.37 52.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.804 0.335 . . . . 0.0 110.924 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -122.99 95.72 4.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.866 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.415 ' C ' ' CG ' ' A' ' 42' ' ' TYR . . . 38.88 -147.42 0.13 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.492 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.415 ' CG ' ' C ' ' A' ' 41' ' ' GLY . 1.1 m-85 -154.62 170.49 21.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.945 0.402 . . . . 0.0 110.895 -179.787 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.411 HG21 HG21 ' A' ' 85' ' ' VAL . 59.7 t -124.62 128.34 73.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.166 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.734 HD23 ' N ' ' A' ' 45' ' ' GLU . 9.5 tt -120.07 158.39 26.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.734 ' N ' HD23 ' A' ' 44' ' ' LEU . 28.4 mt-10 -161.1 173.49 15.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.921 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 21.8 p90 -149.83 137.02 19.7 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.906 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.585 ' HB2' ' CE3' ' A' ' 54' ' ' TRP . 19.2 t -107.65 104.1 13.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.881 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -61.8 141.36 57.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.92 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -51.57 140.26 18.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.899 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 90.35 -49.98 3.26 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.509 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 64.7 p -79.17 120.08 23.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.725 0.298 . . . . 0.0 111.168 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 22.2 tp10 -87.14 26.75 1.13 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.916 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -124.92 119.87 30.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.888 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.585 ' CE3' ' HB2' ' A' ' 47' ' ' CYS . 96.6 m95 -64.26 128.48 35.97 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.893 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 5.2 mp -96.26 123.55 48.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.109 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 92.7 t -67.84 122.47 19.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.121 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -89.17 -51.22 5.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.078 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.484 ' HB3' ' CE1' ' A' ' 67' ' ' PHE . 11.9 p-10 -108.75 125.55 52.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.864 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 11.3 ttpp -73.43 -45.25 55.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.845 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -102.07 156.68 17.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.876 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 13.9 mt -46.49 156.08 0.2 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.948 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.582 HG22 ' H ' ' A' ' 64' ' ' LYS . 52.0 mt -104.78 112.34 38.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.117 179.859 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -91.31 33.79 0.97 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.85 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.582 ' H ' HG22 ' A' ' 62' ' ' ILE . 7.7 mmtp -142.36 150.57 40.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.881 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 2.0 p -81.53 9.57 7.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.122 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 5.2 mtmp? -140.5 167.21 22.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.854 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.484 ' CE1' ' HB3' ' A' ' 58' ' ' ASN . 55.4 t80 -161.75 143.78 11.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.857 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 79.8 m -127.28 123.42 36.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.127 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.518 HD12 ' CG2' ' A' ' 24' ' ' VAL . 17.1 mt -79.89 129.67 37.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.153 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.451 ' HA ' HG22 ' A' ' 23' ' ' THR . 82.6 p -107.07 134.64 49.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.155 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 91.14 62.53 1.22 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.482 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.411 HD23 ' HA ' ' A' ' 72' ' ' LEU . 26.0 mt -127.7 131.52 23.86 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.575 0.703 . . . . 0.0 110.918 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.73 ' O ' HG11 ' A' ' 102' ' ' VAL . 54.1 Cg_endo -69.7 156.23 64.05 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.701 2.268 . . . . 0.0 112.366 179.828 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 71.2 m -79.44 140.97 37.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.202 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 8.8 t70 65.33 48.48 2.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.899 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.555 ' O ' HG12 ' A' ' 102' ' ' VAL . . . -132.51 144.23 50.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.115 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 21.4 mtpt -102.16 135.7 43.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.567 ' C ' HD12 ' A' ' 78' ' ' ILE . 2.5 pp -140.65 154.11 21.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.149 179.871 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.401 ' HB3' ' NH1' ' A' ' 81' ' ' ARG . 64.2 m-85 -98.61 161.54 13.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.876 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.494 ' O ' ' NE ' ' A' ' 81' ' ' ARG . 65.9 t -140.93 116.43 6.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.149 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.516 ' CG ' ' CH2' ' A' ' 54' ' ' TRP . 16.1 mmp_? -121.83 125.55 46.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.847 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 34.1 m -119.0 129.73 74.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.113 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 20.4 pttt -134.09 165.04 25.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.878 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -101.98 124.14 47.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.105 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.411 HG21 HG21 ' A' ' 43' ' ' VAL . 59.4 t -117.33 121.85 68.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.135 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.585 ' OD1' HD12 ' A' ' 39' ' ' LEU . 0.3 OUTLIER -147.15 179.87 7.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 -179.946 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -42.63 -57.35 2.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.102 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -43.48 -51.12 6.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.115 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 162.84 -125.5 1.41 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.493 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -141.7 151.14 42.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.778 0.323 . . . . 0.0 111.155 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 21.6 m -101.12 154.9 18.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.863 -179.77 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -51.69 148.41 9.92 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.611 0.72 . . . . 0.0 110.919 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 134.11 27.04 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.685 2.257 . . . . 0.0 112.295 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 9.1 tmtt? -90.52 108.87 20.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.922 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . 0.48 ' HA ' ' NE ' ' A' ' 81' ' ' ARG . 74.7 m-85 -82.16 105.96 13.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.915 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . 0.596 ' CD2' ' O ' ' A' ' 98' ' ' GLN . 9.7 t80 -51.7 152.12 3.0 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.951 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 12.5 m -52.84 -69.9 0.1 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.844 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . 0.596 ' O ' ' CD2' ' A' ' 96' ' ' TYR . 10.2 mm100 -117.56 151.43 48.29 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.574 0.702 . . . . 0.0 110.931 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 162.11 43.31 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.708 2.272 . . . . 0.0 112.342 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.595 HG12 HG21 ' A' ' 16' ' ' VAL . 12.1 mt -101.56 147.79 8.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.111 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.485 ' O ' ' N ' ' A' ' 103' ' ' LYS . 25.8 tp -121.8 99.69 6.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.73 HG11 ' O ' ' A' ' 73' ' ' PRO . 7.3 p -49.18 87.77 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.11 179.841 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . 0.485 ' N ' ' O ' ' A' ' 101' ' ' LEU . 20.6 tptm -144.32 147.68 33.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.911 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.864 179.974 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.572 HG23 ' HA ' ' A' ' 34' ' ' ILE . 5.8 m -87.73 161.2 17.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.759 0.314 . . . . 0.0 111.179 -179.886 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.437 ' N ' HG22 ' A' ' 8' ' ' THR . 2.2 m -88.32 149.88 45.72 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.627 0.727 . . . . 0.0 110.898 -179.845 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.75 168.49 21.4 Favored 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.704 2.269 . . . . 0.0 112.358 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 133.36 25.33 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.696 2.264 . . . . 0.0 112.33 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 66.4 p -122.14 174.38 6.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.106 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 12.8 mt 54.38 49.81 17.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.95 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.589 HD12 ' HD1' ' A' ' 96' ' ' TYR . 3.1 tm? -82.22 126.29 31.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.933 179.836 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.474 ' CG2' ' N ' ' A' ' 16' ' ' VAL . 4.5 m -149.92 156.93 42.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.155 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.793 HG22 ' SD ' ' A' ' 26' ' ' MET . 10.5 t -81.28 108.78 14.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.165 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -57.57 -48.46 79.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.905 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.5 t -157.34 174.65 15.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.519 HG12 ' O ' ' A' ' 103' ' ' LYS . 76.0 t -150.74 132.28 5.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.119 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.48 ' O ' ' N ' ' A' ' 22' ' ' THR . 2.9 m -140.28 132.15 27.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.147 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 16.5 p30 -39.55 -25.79 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.885 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.48 ' N ' ' O ' ' A' ' 20' ' ' THR . 72.8 p -83.0 -49.71 9.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.179 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 39.1 p -151.95 169.48 22.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.14 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.548 ' O ' HG23 ' A' ' 68' ' ' THR . 33.8 m -119.75 151.45 22.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.146 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.9 m -118.99 124.88 48.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.166 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.793 ' SD ' HG22 ' A' ' 16' ' ' VAL . 95.8 mmm -123.45 134.72 53.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.907 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.492 ' O ' HD22 ' A' ' 14' ' ' LEU . 25.1 ptt180 -126.38 161.06 28.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.867 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.525 ' CD2' ' O ' ' A' ' 65' ' ' THR . 40.1 p90 -145.36 177.25 8.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.931 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 8.2 mmm180 -117.77 151.25 48.36 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.616 0.722 . . . . 0.0 110.851 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 153.13 69.15 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.697 2.265 . . . . 0.0 112.301 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 138.46 37.77 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.679 2.253 . . . . 0.0 112.356 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 15.5 t0 -53.02 -41.62 64.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.853 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.403 ' ND1' ' N ' ' A' ' 34' ' ' ILE . 63.9 t-80 -111.89 157.55 20.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.849 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.572 ' HA ' HG23 ' A' ' 8' ' ' THR . 25.6 mm . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.15 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.446 HD21 ' CZ ' ' A' ' 42' ' ' TYR . 5.1 tp -76.6 124.46 27.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.863 0.363 . . . . 0.0 110.915 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.428 ' OD1' ' N ' ' A' ' 40' ' ' ASP . 0.2 OUTLIER -111.76 95.28 5.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 179.841 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.658 ' HA3' HD13 ' A' ' 61' ' ' LEU . . . 58.83 -145.27 43.48 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.481 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.633 ' CD1' ' C ' ' A' ' 41' ' ' GLY . 3.9 m-85 -156.63 -175.09 5.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.92 0.39 . . . . 0.0 110.93 -179.794 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 94.7 t -140.69 135.65 34.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.13 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.547 HD12 ' CG1' ' A' ' 82' ' ' VAL . 5.6 tp -110.09 153.99 23.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.935 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -157.17 142.47 17.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.915 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 8.6 p90 -142.0 136.02 29.87 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.969 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.545 ' HB2' ' CD2' ' A' ' 54' ' ' TRP . 1.5 t -108.96 115.42 30.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.895 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -62.8 164.36 8.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.892 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -72.64 -51.71 18.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.893 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.426 ' O ' ' CG2' ' A' ' 51' ' ' THR . . . -79.03 46.04 2.88 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.481 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.426 ' CG2' ' O ' ' A' ' 50' ' ' GLY . 72.3 p -158.43 164.99 35.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.81 0.338 . . . . 0.0 111.12 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -122.77 15.13 10.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.937 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 41.1 m-20 -125.65 155.26 41.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.854 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.545 ' CD2' ' HB2' ' A' ' 47' ' ' CYS . 75.6 m95 -100.65 110.66 22.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.945 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 12.0 mt -76.48 137.37 22.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.129 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.58 HG12 ' O ' ' A' ' 58' ' ' ASN . 92.8 t -89.27 119.9 37.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.134 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.504 ' CB ' HD23 ' A' ' 44' ' ' LEU . . . -74.42 -57.98 3.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.057 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.58 ' O ' HG12 ' A' ' 56' ' ' VAL . 47.0 t30 -74.22 171.19 14.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 -179.868 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 24.1 tptt -113.96 -67.72 0.98 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -102.13 -73.03 0.67 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.813 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.658 HD13 ' HA3' ' A' ' 41' ' ' GLY . 0.7 OUTLIER -152.81 135.68 15.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.92 -179.943 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.438 HD11 ' HB2' ' A' ' 58' ' ' ASN . 8.7 mt -87.34 107.15 16.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.125 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -53.91 -41.45 67.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.839 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 27.2 mtmt -81.02 162.12 23.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.923 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.525 ' O ' ' CD2' ' A' ' 28' ' ' TRP . 11.0 p -87.27 16.92 4.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.169 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.479 ' HA ' ' CZ3' ' A' ' 28' ' ' TRP . 4.6 ptpp? -144.72 -177.77 5.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.892 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.574 ' CD1' ' N ' ' A' ' 68' ' ' THR . 12.0 t80 -165.52 153.04 10.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.877 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.574 ' N ' ' CD1' ' A' ' 67' ' ' PHE . 85.9 m -129.23 118.05 21.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.143 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.486 ' HB ' HD11 ' A' ' 72' ' ' LEU . 18.2 mt -73.5 109.33 5.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.127 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 30.4 p -85.35 133.63 34.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.138 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 86.34 77.27 1.23 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.468 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.486 HD11 ' HB ' ' A' ' 69' ' ' ILE . 30.9 mt -136.4 133.34 19.26 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.633 0.73 . . . . 0.0 110.856 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.42 ' HG2' ' CB ' ' A' ' 76' ' ' ALA . 53.7 Cg_endo -69.84 131.37 21.0 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.685 2.257 . . . . 0.0 112.287 179.867 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 25.6 m -60.39 138.47 57.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.098 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 22.3 t70 68.57 42.8 1.45 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.46 ' O ' HG12 ' A' ' 102' ' ' VAL . . . -122.11 139.51 53.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.104 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 50.7 mttt -99.03 127.54 44.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 8.0 pt -138.78 163.34 27.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.132 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 67.9 m-85 -101.3 162.33 12.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.834 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 90.1 t -144.81 127.8 11.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.147 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.554 ' CD ' ' CE1' ' A' ' 95' ' ' TYR . 4.7 mtm105 -144.23 131.36 20.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.547 ' CG1' HD12 ' A' ' 44' ' ' LEU . 3.4 m -119.67 149.37 22.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.159 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.52 ' HD2' HG23 ' A' ' 85' ' ' VAL . 0.1 OUTLIER -150.57 154.6 37.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.925 179.888 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -81.35 138.29 35.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.144 179.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.52 HG23 ' HD2' ' A' ' 83' ' ' LYS . 96.3 t -136.1 126.8 42.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.175 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -145.22 -179.89 6.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -44.95 -50.3 10.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.087 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -51.63 -55.49 19.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.098 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 173.36 -138.02 4.4 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.482 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -128.87 170.83 12.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.84 0.352 . . . . 0.0 111.101 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 58.3 p -112.95 169.33 9.0 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.858 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -61.58 143.32 93.7 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.592 0.711 . . . . 0.0 110.913 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.415 ' HB2' ' NH1' ' A' ' 81' ' ' ARG . 53.7 Cg_endo -69.77 145.66 57.79 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.71 2.273 . . . . 0.0 112.288 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 6.7 tmtm? -106.99 123.88 48.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.915 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . 0.554 ' CE1' ' CD ' ' A' ' 81' ' ' ARG . 6.9 m-85 -104.12 114.59 28.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.865 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . 0.589 ' HD1' HD12 ' A' ' 14' ' ' LEU . 27.3 t80 -60.38 171.14 1.13 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.962 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . 0.454 ' N ' ' CD2' ' A' ' 96' ' ' TYR . 64.9 m -73.42 -73.57 0.21 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.842 -179.841 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -102.65 149.58 36.88 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.58 0.705 . . . . 0.0 110.943 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 137.34 35.29 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.689 2.259 . . . . 0.0 112.328 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.67 ' H ' HD12 ' A' ' 100' ' ' ILE . 3.8 mp -79.7 131.67 33.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.141 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 11.5 tp -109.95 104.02 12.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.878 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.519 HG13 ' O ' ' A' ' 102' ' ' VAL . 3.6 p -53.62 94.79 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.102 179.839 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . 0.519 ' O ' HG12 ' A' ' 19' ' ' VAL . 31.8 tptt -144.99 148.4 33.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 16.6 tm-20 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.964 179.931 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 N-CA-C 112.443 -0.263 . . . . 0.0 112.443 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.47 HG23 ' HA ' ' A' ' 34' ' ' ILE . 1.6 m -86.37 164.19 17.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.816 0.341 . . . . 0.0 111.125 -179.831 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.406 ' H ' HG22 ' A' ' 8' ' ' THR . 39.9 m -93.22 149.45 37.45 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.661 0.743 . . . . 0.0 110.858 -179.82 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 169.9 17.82 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.731 2.287 . . . . 0.0 112.364 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 130.29 19.05 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.689 2.26 . . . . 0.0 112.338 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 79.6 p -110.96 -175.33 2.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.099 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 29.9 mt 47.3 48.96 15.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.916 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.462 ' CD1' ' CD2' ' A' ' 96' ' ' TYR . 2.4 tm? -81.75 110.53 17.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.916 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.5 t -145.44 158.06 43.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.109 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.787 HG22 ' SD ' ' A' ' 26' ' ' MET . 4.6 t -89.09 120.07 37.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.146 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -77.45 -60.18 2.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.865 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.426 ' O ' HG23 ' A' ' 19' ' ' VAL . 2.2 t -126.76 166.54 17.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.857 -179.74 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.426 HG23 ' O ' ' A' ' 18' ' ' SER . 53.0 t -157.14 120.55 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.172 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.509 ' O ' HG23 ' A' ' 102' ' ' VAL . 0.8 OUTLIER -120.96 152.11 38.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.145 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -60.25 -10.78 5.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.845 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -105.52 -48.77 3.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.175 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.908 HG22 ' HA ' ' A' ' 70' ' ' THR . 58.1 p -135.09 163.11 30.64 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.165 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.497 ' CG2' HD12 ' A' ' 69' ' ' ILE . 4.6 m -130.18 130.89 65.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.144 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 37.9 m -102.01 144.95 29.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.134 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.787 ' SD ' HG22 ' A' ' 16' ' ' VAL . 77.8 mmm -132.06 134.47 45.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.864 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 9.5 ptt180 -115.4 151.35 34.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.88 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.477 ' CD2' ' O ' ' A' ' 65' ' ' THR . 11.7 p90 -159.1 167.56 28.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.899 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.478 ' HG3' ' N ' ' A' ' 30' ' ' PRO . 0.7 OUTLIER -119.77 143.2 34.52 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.553 0.692 . . . . 0.0 110.899 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.478 ' N ' ' HG3' ' A' ' 29' ' ' ARG . 53.5 Cg_endo -69.81 168.9 20.3 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.663 2.242 . . . . 0.0 112.33 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.488 ' HG2' HD13 ' A' ' 34' ' ' ILE . 54.1 Cg_endo -69.71 136.65 33.66 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.71 2.273 . . . . 0.0 112.355 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -40.88 -44.56 2.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.874 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 5.2 t-80 -125.14 162.16 25.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.856 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.488 HD13 ' HG2' ' A' ' 31' ' ' PRO . 3.2 mm . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.111 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.472 ' HB2' HG23 ' A' ' 34' ' ' ILE . 4.6 tp -106.63 127.55 53.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.819 0.343 . . . . 0.0 110.918 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.486 ' O ' HD22 ' A' ' 61' ' ' LEU . 0.2 OUTLIER -121.77 94.85 4.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.844 179.852 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 46.41 -160.7 0.23 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.495 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.432 ' CD1' ' N ' ' A' ' 42' ' ' TYR . 0.3 OUTLIER -148.71 163.76 36.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.936 0.398 . . . . 0.0 110.918 -179.783 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 98.9 t -107.99 136.76 42.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.154 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.9 tt -134.56 129.31 34.84 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.945 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -137.21 148.43 46.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 6.4 p90 -127.11 141.79 51.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.955 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 19.9 t -111.83 103.22 11.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.909 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -60.06 152.91 22.9 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -64.54 136.39 56.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 94.8 -35.41 4.25 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.528 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 50.3 p -88.65 123.02 32.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.718 0.294 . . . . 0.0 111.173 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.6 mp0 -89.02 29.71 1.02 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.894 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -130.64 132.68 45.59 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.822 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.589 ' CH2' ' HG2' ' A' ' 81' ' ' ARG . 83.5 m95 -79.99 117.54 20.92 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 16.8 mt -88.25 131.51 35.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.122 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 84.8 t -79.15 124.42 37.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.138 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -86.17 -60.53 1.98 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.087 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 13.1 p-10 -70.38 143.25 51.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.847 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -72.47 -60.77 2.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.915 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -115.92 -73.57 0.64 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.858 179.84 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.486 HD22 ' O ' ' A' ' 40' ' ' ASP . 7.3 mt -142.8 154.4 44.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.908 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.549 HG22 ' O ' ' A' ' 64' ' ' LYS . 14.7 mt -99.59 110.68 27.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.147 179.806 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -64.41 -60.02 3.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.842 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.549 ' O ' HG22 ' A' ' 62' ' ' ILE . 66.2 mttt -75.27 157.49 34.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.477 ' O ' ' CD2' ' A' ' 28' ' ' TRP . 29.8 p -81.74 7.06 13.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.132 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -121.56 143.18 49.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.938 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 25.1 t80 -138.15 145.6 41.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.893 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 91.9 m -133.57 127.66 33.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.203 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.497 HD12 ' CG2' ' A' ' 24' ' ' VAL . 10.7 mt -93.25 128.28 44.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.154 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.908 ' HA ' HG22 ' A' ' 23' ' ' THR . 25.5 p -104.5 140.01 38.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.155 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 86.06 63.7 1.51 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.46 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 61.3 mt -125.12 128.78 24.72 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.65 0.738 . . . . 0.0 110.913 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 128.54 16.22 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.737 2.291 . . . . 0.0 112.376 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.424 HG22 ' N ' ' A' ' 75' ' ' ASP . 22.7 m -54.55 155.87 3.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.147 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.424 ' N ' HG22 ' A' ' 74' ' ' THR . 0.9 OUTLIER 54.74 35.28 23.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 179.934 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.652 ' O ' HG12 ' A' ' 102' ' ' VAL . . . -114.8 130.67 56.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.087 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.471 ' HG2' HD13 ' A' ' 101' ' ' LEU . 40.6 mttm -95.99 121.89 38.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.927 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.579 ' C ' HD12 ' A' ' 78' ' ' ILE . 2.1 pp -134.89 157.16 40.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.192 179.837 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.4 ' HB3' ' NH1' ' A' ' 81' ' ' ARG . 94.2 m-85 -101.92 160.74 14.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.84 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.45 ' O ' ' NE ' ' A' ' 81' ' ' ARG . 79.7 t -141.63 115.97 5.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.17 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.589 ' HG2' ' CH2' ' A' ' 54' ' ' TRP . 15.5 mmp_? -118.68 136.8 53.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.854 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 7.9 m -128.8 134.61 64.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.1 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.434 ' NZ ' ' O ' ' A' ' 91' ' ' SER . 0.0 OUTLIER -132.99 174.25 10.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.895 179.902 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -110.58 142.26 42.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.076 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 18.1 t -139.04 123.64 20.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.143 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.541 ' OD1' ' HB3' ' A' ' 88' ' ' ALA . 2.1 p30 -147.97 170.04 18.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.939 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.422 ' C ' ' O ' ' A' ' 86' ' ' ASN . . . -36.33 -41.73 0.29 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.065 179.87 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.541 ' HB3' ' OD1' ' A' ' 86' ' ' ASN . . . -56.69 -62.06 2.0 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.105 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 178.32 -132.87 2.01 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.455 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -135.81 150.11 49.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.754 0.312 . . . . 0.0 111.066 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . 0.434 ' O ' ' NZ ' ' A' ' 83' ' ' LYS . 12.7 t -108.14 162.54 13.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.84 -179.799 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -65.7 141.38 97.76 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.61 0.719 . . . . 0.0 110.893 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 145.08 55.99 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.691 2.261 . . . . 0.0 112.313 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 8.3 tmtt? -86.59 119.78 27.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.905 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . 0.474 ' HA ' ' NE ' ' A' ' 81' ' ' ARG . 47.0 m-85 -90.55 109.49 20.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.949 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . 0.536 ' CE2' HG23 ' A' ' 16' ' ' VAL . 0.9 OUTLIER -61.15 123.24 17.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.912 -179.915 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . 0.438 ' C ' ' O ' ' A' ' 96' ' ' TYR . 57.7 p -34.9 -70.18 0.09 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.89 -179.873 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -106.14 156.15 37.3 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.621 0.724 . . . . 0.0 110.874 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 166.75 26.55 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.716 2.277 . . . . 0.0 112.346 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.409 HG12 HG21 ' A' ' 16' ' ' VAL . 6.3 mt -112.31 122.67 66.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.12 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.471 HD13 ' HG2' ' A' ' 77' ' ' LYS . 14.7 tp -98.23 108.81 21.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.957 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.652 HG12 ' O ' ' A' ' 76' ' ' ALA . 0.9 OUTLIER -61.24 92.16 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.148 179.849 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . 0.412 ' O ' HG12 ' A' ' 19' ' ' VAL . 23.8 tptp -138.98 152.04 47.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.913 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.892 -179.99 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.462 HG22 ' N ' ' A' ' 9' ' ' SER . 20.9 m -95.27 158.61 15.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.805 0.336 . . . . 0.0 111.185 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.462 ' N ' HG22 ' A' ' 8' ' ' THR . 1.3 t -79.29 149.38 72.42 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.651 0.738 . . . . 0.0 110.881 -179.862 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 169.32 19.25 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.656 2.237 . . . . 0.0 112.37 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 119.67 6.58 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.642 2.228 . . . . 0.0 112.336 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 66.1 p -110.01 -176.67 3.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.144 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 47.0 mt 50.16 50.26 18.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.967 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -89.31 110.5 21.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.917 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.7 t -139.77 154.81 47.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.104 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.541 HG11 HG23 ' A' ' 19' ' ' VAL . 17.5 t -75.23 116.03 17.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.123 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -69.62 -59.38 3.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 48.2 m -154.83 132.86 11.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.831 -179.738 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.541 HG23 HG11 ' A' ' 16' ' ' VAL . 40.6 t -110.02 128.45 66.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.082 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -125.4 144.3 50.58 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.143 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -54.32 -21.38 9.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.909 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 20.9 p -92.2 -51.48 5.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.154 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 81.3 p -144.4 161.91 37.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.137 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.751 ' O ' HG23 ' A' ' 68' ' ' THR . 35.0 m -108.97 151.12 11.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.118 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 17.6 m -126.22 121.78 33.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.155 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 98.6 mmm -111.32 168.52 9.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.863 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 1.6 ptp180 -149.44 150.0 31.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.826 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 21.8 p90 -158.41 158.7 34.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.888 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 23.6 mtt-85 -114.63 158.4 40.35 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.631 0.729 . . . . 0.0 110.889 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 163.98 36.23 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.657 2.238 . . . . 0.0 112.366 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.419 ' O ' ' C ' ' A' ' 32' ' ' ASP . 53.5 Cg_endo -69.75 146.9 61.65 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.745 2.297 . . . . 0.0 112.333 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.419 ' C ' ' O ' ' A' ' 31' ' ' PRO . 5.0 t70 -35.42 -44.38 0.29 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.919 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 23.1 p-80 -148.93 167.25 26.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.847 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 15.3 mm . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.141 179.956 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.509 HD12 ' OD1' ' A' ' 86' ' ' ASN . 9.3 tp -133.64 130.99 39.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.825 0.345 . . . . 0.0 110.9 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.49 ' O ' HD22 ' A' ' 61' ' ' LEU . 11.6 m-20 -115.77 94.42 4.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.861 179.856 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.447 ' C ' ' O ' ' A' ' 40' ' ' ASP . . . 34.02 -147.7 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.511 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.551 ' O ' HD23 ' A' ' 61' ' ' LEU . 6.0 m-85 -148.4 -176.37 5.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.941 0.401 . . . . 0.0 110.945 -179.82 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 61.0 t -138.83 141.41 36.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.168 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.561 HD12 ' CG1' ' A' ' 82' ' ' VAL . 5.8 tp -126.62 139.09 53.44 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.91 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.471 ' OE1' ' N ' ' A' ' 45' ' ' GLU . 2.4 mp0 -145.91 135.87 23.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.856 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 21.2 p90 -124.72 137.41 54.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.925 -179.814 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.539 ' HB2' ' CD2' ' A' ' 54' ' ' TRP . 11.0 t -105.38 116.6 32.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.885 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -66.06 173.25 3.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.3 pp20? -95.44 13.5 25.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -124.32 -3.97 7.82 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.507 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 20.2 p -133.04 141.58 48.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.766 0.317 . . . . 0.0 111.141 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 57.5 mm-40 -88.96 28.34 1.19 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.869 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 33.1 m-20 -136.69 149.39 47.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.856 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.562 ' CZ3' ' HG2' ' A' ' 81' ' ' ARG . 92.1 m95 -84.56 132.31 34.53 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.947 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 5.2 mp -96.29 135.43 30.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.106 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 85.5 t -84.48 131.94 32.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.092 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -96.64 -58.29 2.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.064 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 18.5 p-10 -62.19 130.18 44.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.8 mppt? -61.86 -46.4 89.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.888 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -133.29 -67.73 0.61 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.846 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.551 HD23 ' O ' ' A' ' 42' ' ' TYR . 6.8 mt -149.39 143.27 25.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.884 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 7.4 mt -89.91 121.08 39.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.152 179.813 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -82.32 -56.05 4.14 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.886 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.2 mppt? -62.39 173.21 1.26 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.842 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 3.9 p -97.94 15.57 23.56 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.137 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 36.2 mttp -140.78 166.81 23.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.921 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.535 ' CD1' HD22 ' A' ' 44' ' ' LEU . 24.0 t80 -165.46 138.27 4.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.824 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.751 HG23 ' O ' ' A' ' 24' ' ' VAL . 91.4 m -120.61 120.17 35.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.104 -179.887 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.461 HD12 ' CG2' ' A' ' 24' ' ' VAL . 31.4 mt -72.1 114.24 10.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.079 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 40.0 p -91.78 130.01 37.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.184 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 97.33 72.17 1.08 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.5 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 81.1 mt -137.1 123.34 13.41 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.58 0.705 . . . . 0.0 110.899 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.468 ' O ' HG11 ' A' ' 102' ' ' VAL . 54.0 Cg_endo -69.7 133.24 25.19 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.692 2.262 . . . . 0.0 112.343 179.844 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 91.5 m -56.11 145.57 25.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.19 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 21.4 t0 65.46 36.29 6.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.885 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.459 ' O ' HD12 ' A' ' 101' ' ' LEU . . . -118.49 146.57 44.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.088 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 76.7 mttt -105.14 136.59 44.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.851 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 8.2 pt -146.87 151.6 13.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.127 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 81.3 m-85 -102.34 144.34 30.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 70.8 t -117.16 142.7 29.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.124 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.562 ' HG2' ' CZ3' ' A' ' 54' ' ' TRP . 0.2 OUTLIER -154.26 149.36 26.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.877 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.561 ' CG1' HD12 ' A' ' 44' ' ' LEU . 11.2 m -141.7 154.48 19.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.12 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.533 ' HZ1' ' HB1' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -149.23 158.77 44.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.877 179.93 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -98.58 128.55 44.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.052 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 91.5 t -117.24 117.73 56.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.117 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.509 ' OD1' HD12 ' A' ' 39' ' ' LEU . 0.1 OUTLIER -138.81 164.46 29.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.863 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 86' ' ' ASN . . . -37.74 -52.59 1.27 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.126 179.879 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -40.53 -44.92 2.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.143 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 159.03 -106.31 0.28 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.516 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.533 ' HB1' ' HZ1' ' A' ' 83' ' ' LYS . . . -152.56 154.09 34.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.814 0.34 . . . . 0.0 111.038 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.1 m -102.34 166.77 10.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.856 -179.778 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -62.1 152.46 77.84 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.633 0.73 . . . . 0.0 110.889 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.528 ' HB2' ' CZ ' ' A' ' 95' ' ' TYR . 54.0 Cg_endo -69.77 150.18 67.81 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.649 2.233 . . . . 0.0 112.35 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 12.2 tptm -122.62 127.9 49.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . 0.528 ' CZ ' ' HB2' ' A' ' 93' ' ' PRO . 12.4 m-85 -127.11 136.89 52.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.922 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 19.5 t80 -70.04 175.51 4.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.942 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 12.3 m -71.05 -68.36 0.44 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.88 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 51.0 mt-30 -107.22 155.62 39.05 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.568 0.699 . . . . 0.0 110.951 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 146.98 61.66 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.717 2.278 . . . . 0.0 112.327 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.679 ' N ' HD12 ' A' ' 100' ' ' ILE . 2.9 mp -91.89 127.68 44.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.136 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.459 HD12 ' O ' ' A' ' 76' ' ' ALA . 9.5 tp -102.99 115.67 31.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.928 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.675 HG13 ' O ' ' A' ' 102' ' ' VAL . 8.1 p -60.37 89.65 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.153 179.867 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . 0.432 ' O ' HG12 ' A' ' 19' ' ' VAL . 20.5 tptp -139.12 151.62 46.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.915 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 6.5 tm-20 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 179.923 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -101.96 149.03 24.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.83 0.347 . . . . 0.0 111.158 -179.856 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.8 p -85.34 148.78 50.65 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.703 0.763 . . . . 0.0 110.851 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.68 168.06 22.54 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.696 2.264 . . . . 0.0 112.366 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.44 ' HG2' HG23 ' A' ' 82' ' ' VAL . 54.1 Cg_endo -69.77 120.95 7.65 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.711 2.274 . . . . 0.0 112.35 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 43.2 p -100.66 173.27 6.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.15 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 50.5 mt 56.31 52.7 9.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.925 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.429 ' C ' HD13 ' A' ' 14' ' ' LEU . 3.0 tm? -88.31 114.96 25.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.92 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 9.4 m -155.25 146.91 23.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.185 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.951 HG22 ' SD ' ' A' ' 26' ' ' MET . 97.6 t -68.59 114.4 5.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.154 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 44.0 t0 -65.27 -49.9 67.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 72.6 m -144.64 166.25 25.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.909 -179.779 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.593 ' CG2' HG11 ' A' ' 16' ' ' VAL . 92.7 t -148.25 123.38 2.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.158 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.461 ' O ' ' N ' ' A' ' 22' ' ' THR . 7.7 m -131.0 133.13 45.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.155 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -40.43 -25.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.861 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.461 ' N ' ' O ' ' A' ' 20' ' ' THR . 27.4 p -86.91 -57.91 2.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.122 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 61.8 p -137.2 168.84 18.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.2 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.63 ' CG2' HD12 ' A' ' 69' ' ' ILE . 33.0 m -123.44 147.34 27.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.146 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 4.3 m -112.87 124.14 51.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.137 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.951 ' SD ' HG22 ' A' ' 16' ' ' VAL . 69.8 mmm -111.69 154.28 25.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.844 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 5.8 ptm180 -148.13 147.17 29.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.837 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 40.9 p90 -147.94 170.12 18.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.966 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.497 ' CD ' ' HD2' ' A' ' 30' ' ' PRO . 4.5 tpt180 -116.0 140.25 26.05 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.596 0.713 . . . . 0.0 110.871 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.497 ' HD2' ' CD ' ' A' ' 29' ' ' ARG . 53.8 Cg_endo -69.85 169.94 17.86 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.661 2.241 . . . . 0.0 112.337 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.428 ' HG2' HD11 ' A' ' 34' ' ' ILE . 53.9 Cg_endo -69.69 152.06 69.61 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.701 2.267 . . . . 0.0 112.383 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.4 ' OD2' ' CD2' ' A' ' 33' ' ' HIS . 7.6 t70 -62.49 -40.38 96.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.856 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.4 ' CD2' ' OD2' ' A' ' 32' ' ' ASP . 59.8 m-70 -131.03 167.77 18.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.912 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.428 HD11 ' HG2' ' A' ' 31' ' ' PRO . 4.0 mm . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.14 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.714 HD21 ' CZ ' ' A' ' 42' ' ' TYR . 8.2 tp -80.24 132.38 35.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.832 0.348 . . . . 0.0 110.935 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -118.29 95.9 5.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.834 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 48.69 -162.04 0.52 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.483 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.714 ' CZ ' HD21 ' A' ' 39' ' ' LEU . 20.8 m-85 -143.0 175.33 9.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.919 0.39 . . . . 0.0 110.943 -179.78 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.403 ' O ' ' NH2' ' A' ' 81' ' ' ARG . 55.0 t -135.86 125.95 41.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.106 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.422 HD23 ' N ' ' A' ' 45' ' ' GLU . 10.1 tt -122.75 143.91 49.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.906 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.422 ' N ' HD23 ' A' ' 44' ' ' LEU . 17.9 mt-10 -142.35 170.44 15.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.402 ' CE1' ' HB ' ' A' ' 55' ' ' ILE . 6.9 p90 -147.78 131.42 16.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.86 -179.849 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.518 ' HB2' ' CD2' ' A' ' 54' ' ' TRP . 9.3 t -103.5 111.46 23.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.863 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -75.69 135.73 40.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.888 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -59.94 120.3 9.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.873 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 100.88 33.57 4.95 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.511 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 74.8 p -126.94 173.21 9.8 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.756 0.312 . . . . 0.0 111.154 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -95.75 -38.1 10.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.879 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -139.74 154.24 47.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.518 ' CD2' ' HB2' ' A' ' 47' ' ' CYS . 21.0 m95 -51.78 178.22 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.402 ' HB ' ' CE1' ' A' ' 46' ' ' TYR . 19.0 mt -130.85 119.59 45.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.098 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.414 HG12 ' O ' ' A' ' 58' ' ' ASN . 77.9 t -65.92 119.41 10.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.136 179.851 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -87.61 -54.08 4.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.105 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.414 ' O ' HG12 ' A' ' 56' ' ' VAL . 31.0 p-10 -76.21 158.51 31.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.884 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 71.4 mttt -76.84 -73.33 0.29 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.858 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -110.1 -66.75 1.04 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.861 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 21.6 mt -149.59 151.23 33.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.856 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.411 HG22 ' O ' ' A' ' 64' ' ' LYS . 15.9 mt -98.31 108.31 21.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.103 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -61.06 -51.87 67.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.411 ' O ' HG22 ' A' ' 62' ' ' ILE . 46.4 mtmt -74.44 168.84 18.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.902 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 76.0 p -91.4 10.08 29.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.14 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 25.5 mtpt -125.39 156.52 38.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.912 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 32.3 t80 -150.57 156.86 42.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.896 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 97.1 m -137.16 117.89 14.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.154 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.63 HD12 ' CG2' ' A' ' 24' ' ' VAL . 11.0 mt -78.9 117.96 25.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.133 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 27.7 p -94.83 132.89 39.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.123 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 89.83 75.86 1.3 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.521 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 19.1 mt -137.64 124.22 13.37 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.58 0.705 . . . . 0.0 110.917 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.78 127.13 14.14 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.677 2.251 . . . . 0.0 112.343 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 9.4 m -53.52 143.5 19.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.092 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 26.9 t0 68.66 31.8 4.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -115.15 137.32 52.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.127 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 53.8 mttp -101.66 131.12 48.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.908 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 13.5 pt -138.73 153.31 25.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.199 179.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 49.6 m-85 -101.27 125.56 47.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.856 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 59.2 t -113.57 143.23 23.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.126 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.512 ' NE ' ' O ' ' A' ' 81' ' ' ARG . 0.0 OUTLIER -156.1 147.13 22.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.837 -179.959 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.44 HG23 ' HG2' ' A' ' 11' ' ' PRO . 28.1 m -131.68 165.07 32.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.094 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.407 ' HE3' ' CG2' ' A' ' 85' ' ' VAL . 0.0 OUTLIER -158.67 170.71 21.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 179.908 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -94.5 143.38 26.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.074 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.407 ' CG2' ' HE3' ' A' ' 83' ' ' LYS . 86.7 t -138.89 123.73 21.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.109 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -143.99 168.79 19.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.952 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -53.62 -21.43 6.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.153 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -77.52 -56.85 4.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.132 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -179.68 -168.44 38.51 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.454 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -113.62 162.37 16.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.803 0.335 . . . . 0.0 111.107 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 64.5 p -112.52 154.72 25.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.891 -179.799 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -48.94 143.84 8.06 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.612 0.72 . . . . 0.0 110.878 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 139.77 40.79 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.64 2.227 . . . . 0.0 112.336 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 31.1 tptt -98.91 99.45 10.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 -80.92 124.59 29.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.914 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . 0.435 ' O ' ' C ' ' A' ' 97' ' ' SER . 2.3 t80 -67.53 127.15 31.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.943 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 96' ' ' TYR . 73.4 m -35.18 -73.72 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.901 -179.86 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . 0.425 ' O ' ' CD1' ' A' ' 96' ' ' TYR . 3.6 pt20 -101.99 151.76 38.07 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.571 0.7 . . . . 0.0 110.917 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 151.39 69.44 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.698 2.265 . . . . 0.0 112.368 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.433 ' N ' HD12 ' A' ' 100' ' ' ILE . 4.7 mp -90.93 133.29 33.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.106 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.409 ' O ' ' N ' ' A' ' 103' ' ' LYS . 14.4 tp -109.25 102.19 11.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.924 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.603 HG13 ' O ' ' A' ' 102' ' ' VAL . 7.2 p -57.43 85.49 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.113 179.814 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . 0.409 ' N ' ' O ' ' A' ' 101' ' ' LEU . 10.5 tptp -137.95 137.87 38.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 9.4 tm-20 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.846 179.992 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.249 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.424 HG22 ' H ' ' A' ' 9' ' ' SER . 1.7 m -105.45 164.56 11.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.779 0.323 . . . . 0.0 111.17 -179.859 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.424 ' H ' HG22 ' A' ' 8' ' ' THR . 24.9 m -86.02 149.98 51.57 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.696 0.76 . . . . 0.0 110.851 -179.834 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 167.13 25.34 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.678 2.252 . . . . 0.0 112.341 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.51 ' HD3' ' HB2' ' A' ' 84' ' ' ALA . 54.1 Cg_endo -69.7 128.02 15.48 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.687 2.258 . . . . 0.0 112.368 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 60.5 p -111.09 -175.15 2.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.108 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 29.4 mt 53.27 41.26 32.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -81.83 112.2 18.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.935 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 4.1 m -150.59 151.86 33.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.118 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.551 HG22 ' SD ' ' A' ' 26' ' ' MET . 3.3 t -74.53 119.73 22.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.128 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 43.4 t0 -77.64 -49.91 13.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.863 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.4 t -148.79 162.64 39.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 -179.747 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 95.7 t -144.48 122.58 5.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.146 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.49 HG22 ' H ' ' A' ' 22' ' ' THR . 17.1 m -120.25 144.35 47.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.151 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -54.97 -17.83 4.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.835 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.49 ' H ' HG22 ' A' ' 20' ' ' THR . 1.4 m -96.8 -49.68 4.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.183 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 19.2 p -143.02 167.04 23.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.143 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.909 ' O ' HG23 ' A' ' 68' ' ' THR . 19.4 m -117.01 162.38 15.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.155 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 12.6 m -132.99 115.53 15.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.171 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.551 ' SD ' HG22 ' A' ' 16' ' ' VAL . 58.1 mmm -111.28 123.88 51.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.888 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 1.8 ptp180 -109.4 154.02 23.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.912 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.483 ' CZ3' HD12 ' A' ' 44' ' ' LEU . 16.8 p90 -160.23 170.74 20.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.911 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 25.6 mtt180 -125.61 157.08 69.65 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.574 0.702 . . . . 0.0 110.911 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 165.53 30.6 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.666 2.244 . . . . 0.0 112.348 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.528 ' HG2' HD13 ' A' ' 34' ' ' ILE . 53.4 Cg_endo -69.81 141.73 45.81 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.643 2.229 . . . . 0.0 112.34 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.405 ' C ' ' O ' ' A' ' 31' ' ' PRO . 9.4 t70 -37.8 -46.9 0.97 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.907 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.415 ' CD2' ' C ' ' A' ' 33' ' ' HIS . 0.1 OUTLIER -128.21 163.81 23.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.807 -179.935 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.528 HD13 ' HG2' ' A' ' 31' ' ' PRO . 19.7 mm . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.178 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.254 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.699 HD21 ' CZ ' ' A' ' 42' ' ' TYR . 4.2 tp -85.4 126.54 33.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.763 0.316 . . . . 0.0 110.936 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -110.44 96.01 5.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.86 179.827 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.895 ' HA3' HD13 ' A' ' 61' ' ' LEU . . . 55.09 -160.33 5.71 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.504 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.699 ' CZ ' HD21 ' A' ' 39' ' ' LEU . 9.8 m-85 -145.35 -177.78 5.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.916 0.389 . . . . 0.0 110.927 -179.818 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.639 HG23 HG21 ' A' ' 85' ' ' VAL . 20.5 t -135.43 126.53 44.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.163 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.507 HD13 ' HB3' ' A' ' 67' ' ' PHE . 8.2 tt -123.07 132.92 54.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.928 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.427 ' N ' HD23 ' A' ' 44' ' ' LEU . 12.8 mt-10 -140.65 159.93 41.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.875 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 4.7 p90 -139.61 134.95 32.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.929 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.427 ' HB2' ' CE3' ' A' ' 54' ' ' TRP . 27.3 t -101.55 115.94 31.65 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.859 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -70.06 136.23 50.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.41 ' HG3' ' N ' ' A' ' 50' ' ' GLY . 4.0 pt-20 -61.41 -29.13 69.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.887 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.41 ' N ' ' HG3' ' A' ' 49' ' ' GLU . . . -68.03 -13.54 64.47 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.486 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 51.3 p -128.36 -176.78 3.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.743 0.306 . . . . 0.0 111.161 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -128.79 30.78 5.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.879 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -136.57 153.12 51.06 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.835 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.556 ' CH2' ' HG3' ' A' ' 81' ' ' ARG . 96.1 m95 -84.15 119.63 25.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 37.3 mt -93.33 135.08 29.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.093 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 93.4 t -74.56 123.51 30.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.158 179.822 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -92.15 -40.92 10.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.12 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 9.8 p-10 -103.25 122.39 44.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.2 ttmp? -54.89 -53.38 56.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.435 ' O ' ' C ' ' A' ' 61' ' ' LEU . 3.6 m-20 -129.04 165.71 20.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.891 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.895 HD13 ' HA3' ' A' ' 41' ' ' GLY . 1.6 pp -34.64 135.28 0.18 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.923 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 21.2 mt -86.3 105.34 14.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.148 179.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 -57.03 -53.7 55.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.875 179.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.4 mppt? -65.96 179.59 0.87 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.918 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 8.3 p -109.89 19.95 18.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.157 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 13.0 ttpp -146.92 140.24 25.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.909 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.507 ' HB3' HD13 ' A' ' 44' ' ' LEU . 24.0 t80 -135.36 154.62 51.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.909 HG23 ' O ' ' A' ' 24' ' ' VAL . 78.1 m -138.65 115.02 10.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.143 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 25.0 mt -72.22 107.63 3.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.167 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 8.9 p -84.01 138.11 33.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.139 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 83.87 71.31 1.32 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.439 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 13.1 mt -128.27 131.3 23.7 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.607 0.718 . . . . 0.0 110.903 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.451 ' O ' HG11 ' A' ' 102' ' ' VAL . 53.9 Cg_endo -69.81 133.55 25.73 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.68 2.253 . . . . 0.0 112.354 179.838 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 12.2 m -60.82 149.57 35.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.104 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.8 t70 58.97 36.89 24.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.475 ' O ' HG12 ' A' ' 102' ' ' VAL . . . -115.48 138.04 51.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.107 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 55.5 mttp -99.15 130.35 45.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.911 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.435 ' C ' HD12 ' A' ' 78' ' ' ILE . 2.4 pp -142.0 160.67 20.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.164 179.874 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 85.0 m-85 -100.41 175.88 5.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.864 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.551 HG11 ' HG3' ' A' ' 26' ' ' MET . 95.6 t -154.96 116.44 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.136 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.559 ' HD2' ' CD1' ' A' ' 95' ' ' TYR . 13.1 mmp_? -129.13 122.19 29.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.884 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 26.1 m -114.68 129.08 71.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.128 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 10.0 ptpt -118.82 174.41 6.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.85 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.51 ' HB2' ' HD3' ' A' ' 11' ' ' PRO . . . -106.86 129.27 54.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.098 179.838 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.639 HG21 HG23 ' A' ' 43' ' ' VAL . 61.9 t -115.96 127.44 73.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.165 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.436 ' N ' ' ND2' ' A' ' 86' ' ' ASN . 0.2 OUTLIER -134.81 171.26 14.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.892 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -53.8 -40.56 66.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.129 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.68 -49.24 73.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.067 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -179.09 -122.16 0.75 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.529 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -156.02 153.79 30.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.773 0.321 . . . . 0.0 111.108 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 74.2 m -104.39 169.91 8.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.813 -179.762 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -62.89 142.68 97.4 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.621 0.724 . . . . 0.0 110.918 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 155.04 66.99 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.715 2.276 . . . . 0.0 112.362 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 9.4 tmtt? -87.71 115.86 25.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . 0.559 ' CD1' ' HD2' ' A' ' 81' ' ' ARG . 39.0 m-85 -91.0 105.41 17.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . 0.529 ' CD1' ' N ' ' A' ' 97' ' ' SER . 34.6 t80 -61.31 169.0 2.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.953 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . 0.529 ' N ' ' CD1' ' A' ' 96' ' ' TYR . 35.5 t -66.25 -73.57 0.13 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.874 -179.804 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -114.28 161.45 28.28 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.63 0.729 . . . . 0.0 110.871 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 145.36 56.73 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.637 2.224 . . . . 0.0 112.359 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.574 ' H ' HD12 ' A' ' 100' ' ' ILE . 4.0 mp -86.58 147.32 5.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.163 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 13.6 tp -119.04 115.87 25.21 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.703 HG13 ' O ' ' A' ' 102' ' ' VAL . 10.0 p -62.75 82.82 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.119 179.854 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 19.7 tptt -140.66 132.24 27.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.894 179.939 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.442 -0.263 . . . . 0.0 112.442 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.636 HG23 ' HA ' ' A' ' 34' ' ' ILE . 6.6 m -88.3 161.0 17.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.825 0.345 . . . . 0.0 111.131 -179.874 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.449 ' N ' HG22 ' A' ' 8' ' ' THR . 1.0 OUTLIER -79.22 143.99 61.71 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.68 0.753 . . . . 0.0 110.831 -179.855 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 169.91 17.87 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.646 2.231 . . . . 0.0 112.336 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.531 ' HG2' HG23 ' A' ' 82' ' ' VAL . 53.9 Cg_endo -69.85 114.36 3.69 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.664 2.243 . . . . 0.0 112.333 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 37.9 p -103.3 173.51 6.27 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.155 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 83.2 mt 54.18 52.87 11.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.853 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.668 HD13 ' HD2' ' A' ' 96' ' ' TYR . 0.0 OUTLIER -80.77 109.01 14.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.924 179.863 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.473 HG22 ' N ' ' A' ' 16' ' ' VAL . 69.0 m -135.42 156.89 48.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.145 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.475 HG23 ' OH ' ' A' ' 96' ' ' TYR . 2.8 t -80.23 133.4 29.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.132 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -85.91 -48.86 8.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.842 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.5 t -155.93 165.15 37.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.87 -179.791 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.462 HG13 HG12 ' A' ' 24' ' ' VAL . 58.9 t -148.72 128.33 3.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.095 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.3 m -142.14 135.56 29.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.202 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 56.7 m-20 -38.89 -34.05 0.14 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.882 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 82.5 p -73.01 -49.17 30.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.124 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 81.2 p -155.34 166.73 32.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.146 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.462 HG12 HG13 ' A' ' 19' ' ' VAL . 30.6 m -121.96 142.31 38.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.137 179.857 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 27.7 m -108.59 142.49 38.96 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.086 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.436 ' SD ' HG13 ' A' ' 16' ' ' VAL . 77.9 mmm -129.63 139.04 51.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 27.3 ptt180 -133.33 144.09 49.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.879 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 45.1 p90 -142.82 172.5 12.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.912 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.491 ' CD ' ' HD2' ' A' ' 30' ' ' PRO . 6.2 tpt180 -106.66 139.35 20.27 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.575 0.702 . . . . 0.0 110.878 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.491 ' HD2' ' CD ' ' A' ' 29' ' ' ARG . 53.3 Cg_endo -69.76 164.38 34.76 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.708 2.272 . . . . 0.0 112.354 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.454 ' HG2' HD11 ' A' ' 34' ' ' ILE . 54.2 Cg_endo -69.82 130.16 18.78 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.681 2.254 . . . . 0.0 112.356 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 31' ' ' PRO . 2.6 p30 -37.06 -43.64 0.49 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.851 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.405 ' C ' HD12 ' A' ' 34' ' ' ILE . 89.8 m-70 -150.44 148.83 29.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.807 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.636 ' HA ' HG23 ' A' ' 8' ' ' THR . 0.7 OUTLIER . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.151 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 5.5 tp -120.14 131.27 54.96 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.823 0.344 . . . . 0.0 110.942 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.543 ' O ' HD22 ' A' ' 61' ' ' LEU . 0.4 OUTLIER -103.27 94.1 5.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.867 179.878 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.459 ' C ' ' CG ' ' A' ' 42' ' ' TYR . . . 33.8 -139.3 0.13 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.442 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.459 ' CG ' ' C ' ' A' ' 41' ' ' GLY . 0.2 OUTLIER -157.38 177.22 11.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.933 0.396 . . . . 0.0 110.893 -179.771 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.502 HG12 ' OE1' ' A' ' 45' ' ' GLU . 59.6 t -124.51 129.88 73.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.09 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 6.7 tt -128.9 130.34 46.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.917 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.502 ' OE1' HG12 ' A' ' 43' ' ' VAL . 1.5 mp0 -136.01 145.52 46.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.907 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 13.5 p90 -122.97 139.37 54.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.943 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.534 ' HB2' ' CD2' ' A' ' 54' ' ' TRP . 48.6 t -110.72 115.46 29.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.911 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -76.92 134.43 38.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.902 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -54.44 99.41 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.853 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 130.62 39.13 0.28 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.477 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 43.4 p -151.7 173.47 14.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.758 0.313 . . . . 0.0 111.187 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -121.13 -0.22 10.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.89 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 15.4 p-10 -138.0 138.98 39.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.92 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.534 ' CD2' ' HB2' ' A' ' 47' ' ' CYS . 69.1 m95 -70.44 133.92 47.3 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.941 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.477 HD12 ' H ' ' A' ' 55' ' ' ILE . 5.0 mp -83.05 112.78 21.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.113 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 92.8 t -56.85 122.56 6.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.119 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -90.91 -60.13 1.99 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.134 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 24.9 p-10 -71.67 157.46 37.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.925 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 16.9 tttp -87.77 -53.06 4.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.846 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -122.19 -71.36 0.73 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.886 179.881 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.543 HD22 ' O ' ' A' ' 40' ' ' ASP . 12.0 mt -151.88 148.83 28.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.978 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.764 HG22 ' O ' ' A' ' 64' ' ' LYS . 43.1 mt -92.93 106.65 18.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.144 179.835 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -58.39 -60.87 3.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.856 179.827 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.764 ' O ' HG22 ' A' ' 62' ' ' ILE . 31.2 mttp -75.76 162.25 28.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.954 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 29.8 p -87.32 37.03 0.76 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.131 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 22.1 ttmt -149.93 144.42 25.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 60.2 t80 -141.72 152.95 44.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.907 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 60.5 m -134.04 118.0 17.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.122 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 26.4 mt -75.95 118.17 21.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.145 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 55.5 p -93.88 138.69 31.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.092 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 77.2 75.49 0.92 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.522 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 22.3 mt -132.05 132.51 23.14 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.531 0.681 . . . . 0.0 110.926 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.523 ' O ' HG11 ' A' ' 102' ' ' VAL . 53.4 Cg_endo -69.79 147.2 62.18 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.697 2.265 . . . . 0.0 112.31 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.503 HG22 ' N ' ' A' ' 75' ' ' ASP . 24.8 m -69.86 160.33 31.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.164 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.503 ' N ' HG22 ' A' ' 74' ' ' THR . 0.6 OUTLIER 46.82 48.15 15.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.917 179.954 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.537 ' O ' HG12 ' A' ' 102' ' ' VAL . . . -125.79 149.07 48.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.064 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.467 ' HE2' ' CD2' ' A' ' 101' ' ' LEU . 29.6 mttm -114.45 126.11 54.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.895 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 7.1 pt -132.87 152.79 36.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.136 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -101.56 145.49 28.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.918 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.41 HG23 HD13 ' A' ' 100' ' ' ILE . 60.7 t -116.54 138.44 47.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.128 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.657 ' CZ ' ' CZ ' ' A' ' 95' ' ' TYR . 31.8 mmm-85 -137.57 129.94 29.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.531 HG23 ' HG2' ' A' ' 11' ' ' PRO . 13.2 m -126.13 134.5 66.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.169 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.645 ' NZ ' ' HB1' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -134.56 145.87 49.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 179.964 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.44 ' HB3' ' CB ' ' A' ' 91' ' ' SER . . . -81.59 141.0 34.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.144 179.782 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.477 HG23 ' CD ' ' A' ' 83' ' ' LYS . 77.0 t -141.02 126.39 18.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.121 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.488 ' N ' ' ND2' ' A' ' 86' ' ' ASN . 0.3 OUTLIER -132.74 169.12 17.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.906 179.96 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -49.74 -34.63 19.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.127 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.1 -52.66 64.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.141 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -176.94 -110.98 0.28 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.453 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.645 ' HB1' ' NZ ' ' A' ' 83' ' ' LYS . . . -152.14 169.16 23.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.797 0.332 . . . . 0.0 111.121 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . 0.44 ' CB ' ' HB3' ' A' ' 84' ' ' ALA . 1.4 t -124.32 168.0 13.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.856 -179.774 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -68.35 141.86 93.99 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.65 0.738 . . . . 0.0 110.875 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.406 ' CB ' HH21 ' A' ' 81' ' ' ARG . 54.4 Cg_endo -69.75 158.87 55.49 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.685 2.256 . . . . 0.0 112.365 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.425 ' NZ ' ' HB2' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -122.43 109.31 14.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 179.907 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . 0.657 ' CZ ' ' CZ ' ' A' ' 81' ' ' ARG . 44.4 m-85 -76.42 136.24 39.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . 0.668 ' HD2' HD13 ' A' ' 14' ' ' LEU . 35.7 t80 -74.65 162.83 28.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.945 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . 0.586 ' N ' ' CD1' ' A' ' 96' ' ' TYR . 3.8 m -62.1 -75.35 0.07 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.868 -179.852 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . 0.431 ' O ' ' CD1' ' A' ' 96' ' ' TYR . 14.4 mm-40 -119.37 159.8 44.18 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.562 0.696 . . . . 0.0 110.915 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 137.28 35.14 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.687 2.258 . . . . 0.0 112.363 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.624 ' H ' HD12 ' A' ' 100' ' ' ILE . 4.2 mp -80.66 134.38 27.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.13 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.471 ' O ' ' N ' ' A' ' 103' ' ' LYS . 0.1 OUTLIER -100.69 103.81 15.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.941 179.856 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.537 HG12 ' O ' ' A' ' 76' ' ' ALA . 3.5 p -57.18 82.07 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.091 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . 0.471 ' N ' ' O ' ' A' ' 101' ' ' LEU . 13.7 tptm -143.94 134.61 24.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.939 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.9 179.998 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.653 HG21 ' HB2' ' A' ' 39' ' ' LEU . 16.8 p -85.63 154.73 21.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.789 0.328 . . . . 0.0 111.13 -179.878 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.6 m -79.34 149.81 72.9 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.68 0.752 . . . . 0.0 110.868 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 157.69 59.56 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.751 2.301 . . . . 0.0 112.33 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 120.26 7.07 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.693 2.262 . . . . 0.0 112.324 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 69.4 p -101.92 -178.94 3.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.123 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 34.8 mt 56.1 49.54 15.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.925 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.424 ' CD1' ' CD2' ' A' ' 96' ' ' TYR . 2.1 tm? -82.84 112.5 19.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.887 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 4.8 t -148.28 157.6 43.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.153 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 4.5 t -82.51 112.49 20.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.146 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -61.88 -47.73 83.66 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.837 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 10.7 p -159.33 161.03 35.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.851 -179.761 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 24.1 t -138.23 134.13 44.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.148 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.413 ' O ' ' C ' ' A' ' 21' ' ' ASP . 1.6 m -145.94 132.56 19.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.129 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.413 ' C ' ' O ' ' A' ' 20' ' ' THR . 3.0 p-10 -37.6 -33.09 0.06 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.401 ' N ' ' O ' ' A' ' 20' ' ' THR . 38.9 p -71.53 -53.77 12.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.137 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 80.9 p -152.46 169.34 22.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.165 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.431 ' CG2' HD12 ' A' ' 69' ' ' ILE . 20.4 m -118.39 142.94 30.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.141 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 10.7 m -111.35 143.65 41.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.152 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 77.8 mmm -130.18 160.61 33.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.858 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 9.0 ptm180 -149.85 130.76 14.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.881 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 30.1 p90 -132.76 165.98 23.28 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.855 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.492 ' CD ' ' HD2' ' A' ' 30' ' ' PRO . 5.1 tpt180 -114.89 139.77 24.64 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.569 0.699 . . . . 0.0 110.896 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.492 ' HD2' ' CD ' ' A' ' 29' ' ' ARG . 54.4 Cg_endo -69.7 167.69 23.65 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.651 2.234 . . . . 0.0 112.395 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 131.32 20.97 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.661 2.241 . . . . 0.0 112.374 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -40.25 -36.93 0.58 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.821 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 20.5 t60 -139.11 156.18 47.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.821 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.577 HD12 ' HB3' ' A' ' 39' ' ' LEU . 26.4 mm . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.165 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.404 ' O ' ' CB ' ' A' ' 86' ' ' ASN . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.653 ' HB2' HG21 ' A' ' 8' ' ' THR . 8.9 tp -90.46 142.14 28.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.806 0.336 . . . . 0.0 110.904 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 81.1 m-20 -128.06 100.16 5.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.857 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 39.66 -160.77 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.48 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.493 ' N ' ' CD1' ' A' ' 42' ' ' TYR . 0.3 OUTLIER -142.88 155.53 44.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.919 0.39 . . . . 0.0 110.907 -179.776 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 81.2 t -118.89 133.69 64.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.088 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.4 tt -128.95 133.16 47.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.963 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.413 ' OE1' ' N ' ' A' ' 45' ' ' GLU . 1.6 mp0 -134.48 153.07 52.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.839 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 9.5 p90 -132.61 131.8 41.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.926 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.5 ' HB2' ' CD2' ' A' ' 54' ' ' TRP . 47.2 t -105.13 104.71 14.5 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.886 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.461 ' HA ' HG22 ' A' ' 78' ' ' ILE . 4.1 t80 -49.41 174.37 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.928 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -77.83 131.68 37.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.923 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 82.39 -27.71 3.59 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.452 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -65.14 119.23 10.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.726 0.298 . . . . 0.0 111.119 -179.829 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -86.21 16.78 4.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.935 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -139.04 129.45 25.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.884 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.599 ' CE2' ' CZ ' ' A' ' 81' ' ' ARG . 75.5 m95 -68.08 151.62 46.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.957 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 18.2 mt -124.5 115.57 44.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.104 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 31.9 t -72.33 134.16 30.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.142 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -85.62 -43.84 13.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.121 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 21.6 p-10 -83.72 -176.4 6.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.858 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -113.91 -45.44 3.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.94 179.856 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.56 ' O ' HD23 ' A' ' 61' ' ' LEU . 0.1 OUTLIER -120.9 -63.61 1.32 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.89 179.861 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.56 HD23 ' O ' ' A' ' 60' ' ' ASP . 85.8 mt -153.86 -178.0 6.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.916 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 36.5 mt -128.05 106.97 15.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.164 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -86.27 47.47 1.47 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 179.833 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 30.2 mttm -159.58 157.04 29.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.941 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 15.5 p -90.75 19.62 5.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.127 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 12.7 mtmm -151.78 160.3 43.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.859 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 12.2 t80 -155.58 143.56 19.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.88 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 92.5 m -126.99 112.09 14.84 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.136 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.431 HD12 ' CG2' ' A' ' 24' ' ' VAL . 55.5 mt -66.26 108.87 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.161 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 29.0 p -83.77 131.9 34.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.105 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 84.36 84.27 0.96 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.481 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 6.2 mt -137.71 127.79 15.44 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.597 0.713 . . . . 0.0 110.917 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 128.76 16.47 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.635 2.223 . . . . 0.0 112.345 179.834 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 54.2 m -54.57 149.85 10.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.127 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 9.6 t70 60.7 32.94 20.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.884 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.599 ' O ' HG12 ' A' ' 102' ' ' VAL . . . -112.62 141.76 46.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.091 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.1 mmmm -109.97 131.64 54.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.474 ' C ' HD12 ' A' ' 78' ' ' ILE . 2.4 pp -139.47 159.31 28.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.11 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 92.7 m-85 -108.36 132.0 54.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.865 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.555 HG23 HD12 ' A' ' 100' ' ' ILE . 55.2 t -110.99 138.09 40.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.123 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.599 ' CZ ' ' CE2' ' A' ' 54' ' ' TRP . 19.1 ptt180 -153.3 139.31 18.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.892 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 7.5 m -127.53 156.46 39.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.109 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.08 133.22 10.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.894 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -59.47 148.51 32.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.122 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 57.3 t -139.25 118.15 12.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.121 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.404 ' CB ' ' O ' ' A' ' 38' ' ' GLY . 0.2 OUTLIER -128.98 179.0 5.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.904 179.953 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -48.78 -40.64 29.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.065 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.25 -57.08 11.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.106 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -178.91 -114.2 0.41 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.497 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -156.95 172.2 19.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.819 0.343 . . . . 0.0 111.124 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 25.5 m -105.46 169.18 8.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.85 -179.777 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -57.82 142.84 78.06 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.606 0.717 . . . . 0.0 110.873 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 127.74 14.97 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.671 2.248 . . . . 0.0 112.311 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 4.8 tmtm? -83.68 101.62 11.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.898 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -83.42 115.38 22.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.936 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . 0.424 ' CD2' ' CD1' ' A' ' 14' ' ' LEU . 0.2 OUTLIER -65.45 119.22 10.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.95 -179.898 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 96' ' ' TYR . 57.3 p -36.38 -63.74 0.37 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.83 -179.829 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -106.34 140.61 21.46 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.625 0.726 . . . . 0.0 110.915 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 164.37 34.84 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.675 2.25 . . . . 0.0 112.301 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.555 HD12 HG23 ' A' ' 80' ' ' VAL . 10.3 mt -98.2 144.84 10.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.098 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.9 tp -117.9 106.41 12.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.925 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.599 HG12 ' O ' ' A' ' 76' ' ' ALA . 1.6 p -65.64 90.83 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.126 179.856 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 7.1 tptm -142.13 138.38 31.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.856 179.991 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.405 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 1' ' ' GLY . 37.7 t -37.48 123.98 1.0 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.856 0.36 . . . . 0.0 110.866 -179.782 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.1 t -123.15 123.52 41.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.893 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 132.77 107.29 1.04 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.469 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.1 m -115.52 176.16 5.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.895 0.379 . . . . 0.0 110.881 -179.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 92.5 p -62.38 115.85 4.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.889 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -82.67 7.74 64.52 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.478 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.651 HG22 ' H ' ' A' ' 9' ' ' SER . 2.1 m -90.86 172.33 8.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.778 0.323 . . . . 0.0 111.194 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.651 ' H ' HG22 ' A' ' 8' ' ' THR . 1.0 OUTLIER -99.64 143.69 26.91 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.644 0.735 . . . . 0.0 110.876 -179.857 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 167.64 23.9 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.663 2.242 . . . . 0.0 112.342 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.465 ' CD ' ' HA ' ' A' ' 83' ' ' LYS . 54.2 Cg_endo -69.71 120.61 7.38 Favored 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 122.686 2.257 . . . . 0.0 112.348 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 64.0 p -107.91 -177.25 3.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.159 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 29.9 mt 50.83 50.15 19.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.911 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.576 ' CD1' ' CD2' ' A' ' 96' ' ' TYR . 2.6 tm? -85.8 113.96 22.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.924 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.493 ' CG2' ' N ' ' A' ' 16' ' ' VAL . 3.5 m -147.38 157.69 43.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.154 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.568 HG22 ' SD ' ' A' ' 26' ' ' MET . 4.7 t -81.45 127.34 39.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.143 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 37.9 t0 -81.79 -56.39 4.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.86 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 7.9 t -146.43 157.12 43.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.882 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.419 HG11 ' O ' ' A' ' 101' ' ' LEU . 91.7 t -133.13 139.54 49.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.143 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.446 ' O ' ' N ' ' A' ' 22' ' ' THR . 0.7 OUTLIER -142.88 131.72 22.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.134 -179.918 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.625 ' OD1' HG23 ' A' ' 74' ' ' THR . 11.3 m-20 -41.42 -24.82 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.834 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.446 ' N ' ' O ' ' A' ' 20' ' ' THR . 5.7 p -83.91 -53.4 5.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.171 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 6.5 p -145.12 168.95 19.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.104 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.401 ' O ' HG23 ' A' ' 68' ' ' THR . 16.2 m -119.71 144.66 27.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.12 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 54.4 m -109.91 138.08 46.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.172 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.568 ' SD ' HG22 ' A' ' 16' ' ' VAL . 92.2 mmm -133.97 129.91 36.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.91 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 15.9 ptm180 -117.76 156.81 27.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.847 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 16.1 p90 -156.62 161.95 39.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -108.82 149.79 39.99 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.598 0.713 . . . . 0.0 110.894 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 165.71 30.07 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.691 2.26 . . . . 0.0 112.354 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 152.89 69.5 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.66 2.24 . . . . 0.0 112.373 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 69.4 m-20 -56.98 -30.35 64.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.855 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 76.7 m-70 -145.91 169.66 18.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.866 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.468 ' HA ' HG23 ' A' ' 8' ' ' THR . 6.2 mm -123.97 137.02 58.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.129 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -60.62 154.43 35.02 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.514 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -46.74 -61.2 1.95 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.799 0.333 . . . . 0.0 111.088 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -42.3 -46.92 4.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.091 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 119.7 146.04 7.67 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.492 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.634 HD21 ' CZ ' ' A' ' 42' ' ' TYR . 4.0 tp -82.49 130.28 35.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.78 0.324 . . . . 0.0 110.952 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -109.58 94.38 5.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 42.07 -158.04 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.475 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.634 ' CZ ' HD21 ' A' ' 39' ' ' LEU . 8.6 m-85 -143.17 171.65 13.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.927 0.394 . . . . 0.0 110.924 -179.788 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 49.0 t -132.78 138.77 51.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.155 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.3 tt -129.92 129.59 44.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.927 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.604 ' OE2' HG22 ' A' ' 56' ' ' VAL . 5.7 mm-40 -125.13 161.76 26.12 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.905 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 12.4 p90 -149.58 133.51 17.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.931 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.485 ' HB2' ' CD2' ' A' ' 54' ' ' TRP . 1.2 t -106.91 130.77 54.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.866 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -87.29 136.15 33.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.873 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -57.4 140.61 49.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.887 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 93.55 -3.62 71.93 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.496 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 15.3 p -115.59 178.34 4.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.746 0.308 . . . . 0.0 111.148 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.45 ' N ' ' CD ' ' A' ' 52' ' ' GLU . 0.4 OUTLIER -129.04 3.29 5.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.913 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -127.79 141.91 51.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.933 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.503 ' CH2' ' HD3' ' A' ' 81' ' ' ARG . 43.9 m95 -82.19 153.85 25.77 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.908 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.449 ' C ' ' OE1' ' A' ' 45' ' ' GLU . 47.5 mt -112.27 120.42 62.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.163 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.604 HG22 ' OE2' ' A' ' 45' ' ' GLU . 58.2 t -56.53 146.93 5.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.167 179.821 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.733 ' HB1' ' CZ ' ' A' ' 67' ' ' PHE . . . -116.65 -53.13 2.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.105 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -77.95 134.35 37.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.894 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 46.0 tttt -67.99 -65.49 0.69 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.831 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.649 ' O ' HD23 ' A' ' 61' ' ' LEU . 4.2 m-20 -113.15 -72.25 0.71 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.885 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.649 HD23 ' O ' ' A' ' 60' ' ' ASP . 13.2 mt -146.99 140.64 25.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.903 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.538 HG22 ' O ' ' A' ' 64' ' ' LYS . 54.3 mt -86.1 104.69 13.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.135 179.843 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 27.5 m-20 -66.12 -60.1 3.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.852 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.538 ' O ' HG22 ' A' ' 62' ' ' ILE . 26.6 mmtp -67.63 169.02 10.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.932 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 11.1 p -91.89 8.64 36.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.146 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 38.6 mtpt -124.7 152.64 43.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.918 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.733 ' CZ ' ' HB1' ' A' ' 57' ' ' ALA . 58.6 t80 -148.57 145.89 28.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.908 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.401 HG23 ' O ' ' A' ' 24' ' ' VAL . 55.1 m -131.41 125.48 32.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.116 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.403 ' HB ' HD11 ' A' ' 72' ' ' LEU . 27.8 mt -82.53 106.38 13.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.124 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 37.9 p -82.19 150.0 27.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.157 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 71.19 75.77 0.61 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.46 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.403 HD11 ' HB ' ' A' ' 69' ' ' ILE . 27.6 mt -134.77 133.67 21.39 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.638 0.733 . . . . 0.0 110.893 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.423 ' O ' HG11 ' A' ' 102' ' ' VAL . 54.1 Cg_endo -69.71 129.59 17.92 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.734 2.289 . . . . 0.0 112.323 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.625 HG23 ' OD1' ' A' ' 21' ' ' ASP . 10.1 m -57.52 143.33 41.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.176 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 35.5 t70 64.88 41.26 4.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.878 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -123.74 132.02 53.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.093 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 72.3 mttt -94.94 125.25 39.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.849 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 11.7 pt -129.66 148.16 33.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.098 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -98.6 127.2 44.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.866 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 53.5 t -106.14 139.07 28.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.162 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.503 ' HD3' ' CH2' ' A' ' 54' ' ' TRP . 24.6 ptt85 -148.96 132.29 16.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.877 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 19.1 m -126.56 160.95 33.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.119 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.465 ' HA ' ' CD ' ' A' ' 11' ' ' PRO . 0.0 OUTLIER -155.53 170.86 20.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 179.928 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.427 ' N ' ' HD3' ' A' ' 11' ' ' PRO . . . -95.08 135.24 36.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.12 179.829 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 55.4 t -126.46 109.8 21.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.092 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.73 HD22 ' N ' ' A' ' 86' ' ' ASN . 0.5 OUTLIER -117.6 160.85 20.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.89 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -55.01 -14.37 1.48 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.124 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -85.11 -35.94 21.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.135 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 173.18 -125.77 1.18 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.508 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -157.01 159.64 38.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.821 0.343 . . . . 0.0 111.071 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.0 t -105.88 166.42 10.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.855 -179.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -61.97 143.65 94.48 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.603 0.716 . . . . 0.0 110.866 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 145.98 58.59 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.663 2.242 . . . . 0.0 112.343 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 19.4 tptp -98.38 123.51 42.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.88 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 68.5 m-85 -102.38 112.88 25.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.987 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . 0.576 ' CD2' ' CD1' ' A' ' 14' ' ' LEU . 0.3 OUTLIER -63.8 117.79 7.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.932 -179.864 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . 0.438 ' C ' ' O ' ' A' ' 96' ' ' TYR . 1.4 t -34.63 -55.88 0.54 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.867 -179.814 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 11.3 mm100 -113.16 146.87 36.11 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.566 0.698 . . . . 0.0 110.947 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 162.02 43.7 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.684 2.256 . . . . 0.0 112.324 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.672 ' N ' HD12 ' A' ' 100' ' ' ILE . 3.0 mp -107.3 113.16 42.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.136 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.419 ' O ' HG11 ' A' ' 19' ' ' VAL . 14.0 tp -84.99 129.44 34.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.625 HG13 ' O ' ' A' ' 102' ' ' VAL . 11.2 p -78.37 67.3 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.092 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 21.4 tptt -130.84 138.67 49.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.95 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 13.5 tm-20 -62.4 150.27 40.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.934 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 78.6 p -161.5 134.04 6.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.84 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -120.6 179.29 16.42 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.467 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.72 144.71 55.09 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.668 2.245 . . . . 0.0 112.344 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 14.6 m -132.37 105.96 7.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.868 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 47.1 t -51.56 138.16 23.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.89 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.499 -179.992 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.261 0 N-CA-C 112.438 -0.265 . . . . 0.0 112.438 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.435 ' O ' ' C ' ' A' ' 3' ' ' SER . 1.3 t -155.65 174.05 15.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.814 0.34 . . . . 0.0 110.896 -179.771 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 2' ' ' SER . 47.7 m -35.5 152.68 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.853 -179.802 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 133.79 -89.13 0.25 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.512 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 79.3 p -57.55 171.46 0.44 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.888 0.375 . . . . 0.0 110.856 -179.72 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.0 p -92.62 -175.42 3.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.85 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -102.82 -47.25 1.39 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.477 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.529 HG22 ' N ' ' A' ' 9' ' ' SER . 87.8 m -92.05 159.64 15.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.79 0.328 . . . . 0.0 111.142 -179.867 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.529 ' N ' HG22 ' A' ' 8' ' ' THR . 1.8 m -80.93 146.55 59.64 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.605 0.717 . . . . 0.0 110.85 -179.846 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 169.96 17.7 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.669 2.246 . . . . 0.0 112.338 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.59 ' HG2' HG23 ' A' ' 82' ' ' VAL . 53.4 Cg_endo -69.76 124.83 11.47 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.653 2.235 . . . . 0.0 112.345 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 82.4 p -105.53 167.15 9.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.145 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 38.3 mt 57.88 49.42 11.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.924 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.526 ' C ' HD13 ' A' ' 14' ' ' LEU . 2.9 tm? -81.16 109.04 15.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.902 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.485 ' CG2' ' N ' ' A' ' 16' ' ' VAL . 4.4 m -141.29 157.32 45.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.153 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.614 HG22 ' SD ' ' A' ' 26' ' ' MET . 16.6 t -74.89 133.58 31.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.158 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.561 ' HB3' HG22 ' A' ' 25' ' ' THR . 9.3 t70 -88.55 -52.48 5.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.461 ' O ' HG23 ' A' ' 19' ' ' VAL . 1.2 t -139.93 171.7 13.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.845 -179.757 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.782 HG12 ' O ' ' A' ' 103' ' ' LYS . 53.2 t -157.95 127.83 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.113 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.589 ' O ' HG23 ' A' ' 102' ' ' VAL . 3.4 m -140.01 150.1 44.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.154 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -58.63 -11.44 3.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.883 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 14.8 p -100.61 -50.61 3.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.129 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.503 HG22 ' HA ' ' A' ' 70' ' ' THR . 18.4 p -143.87 167.09 23.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.146 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.834 ' O ' HG23 ' A' ' 68' ' ' THR . 34.2 m -123.74 151.54 28.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.138 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.561 HG22 ' HB3' ' A' ' 17' ' ' ASP . 85.2 m -121.6 141.95 50.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.134 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.614 ' SD ' HG22 ' A' ' 16' ' ' VAL . 88.4 mmm -131.89 143.63 50.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 4.7 ptm180 -132.44 155.51 48.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.827 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 43.2 p90 -164.03 159.87 21.11 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.475 ' HA ' ' NE ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -101.32 145.73 30.95 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.616 0.722 . . . . 0.0 110.855 -179.936 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 169.99 17.68 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.653 2.235 . . . . 0.0 112.357 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.428 ' O ' ' C ' ' A' ' 32' ' ' ASP . 53.7 Cg_endo -69.71 126.0 12.83 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.678 2.252 . . . . 0.0 112.347 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.428 ' C ' ' O ' ' A' ' 31' ' ' PRO . 16.0 t70 -35.9 -37.64 0.11 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.853 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 6.9 t60 -146.26 155.78 42.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.462 HD12 ' HB2' ' A' ' 39' ' ' LEU . 39.6 mm -95.52 103.86 15.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.176 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.45 ' C ' ' O ' ' A' ' 34' ' ' ILE . . . -34.32 -81.36 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.473 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -160.68 170.89 19.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.753 0.311 . . . . 0.0 111.108 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.733 ' CB ' ' HB3' ' A' ' 87' ' ' ALA . . . 58.82 25.05 13.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.103 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 58.87 174.33 0.56 Allowed Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.506 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.47 HD21 ' CZ ' ' A' ' 42' ' ' TYR . 6.3 tp -108.88 123.4 49.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.828 0.347 . . . . 0.0 110.957 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.447 ' O ' ' C ' ' A' ' 41' ' ' GLY . 3.6 m-20 -98.85 94.53 6.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.872 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.447 ' C ' ' O ' ' A' ' 40' ' ' ASP . . . 34.25 -147.51 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.515 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.47 ' CZ ' HD21 ' A' ' 39' ' ' LEU . 1.2 m-85 -150.79 177.39 10.14 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.959 0.409 . . . . 0.0 110.886 -179.77 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 74.8 t -130.99 130.14 63.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.124 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.3 tt -128.6 132.28 48.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.973 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -133.17 177.47 7.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.904 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 23.6 p90 -153.78 128.4 9.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.401 ' HB2' ' CD2' ' A' ' 54' ' ' TRP . 41.0 t -104.63 105.73 15.94 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.904 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.486 ' HA ' HG22 ' A' ' 78' ' ' ILE . 4.1 t80 -54.01 174.73 0.05 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.845 -179.849 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -94.62 16.86 14.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.925 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -140.39 30.45 2.32 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.497 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 9.2 p -149.76 164.29 35.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.778 0.323 . . . . 0.0 111.148 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -115.62 18.08 15.98 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.896 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -135.78 155.37 50.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.819 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.606 ' CD1' ' NH2' ' A' ' 81' ' ' ARG . 85.4 m95 -88.75 128.84 35.63 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.946 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 24.5 mt -90.22 128.37 42.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.109 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 77.4 t -72.06 115.3 12.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.152 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -80.56 -57.78 3.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.114 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.436 ' HB3' ' CE1' ' A' ' 67' ' ' PHE . 9.2 p-10 -95.83 114.26 25.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 4.0 tmtm? -56.19 -47.33 78.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.889 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -110.39 158.62 18.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.833 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 18.5 mt -46.97 144.39 2.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.934 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 16.7 mt -91.7 132.85 35.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.107 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -94.48 -36.99 11.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 5.0 pttt -84.98 146.69 27.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.849 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 39.0 p -75.84 -3.91 37.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.115 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 19.0 ttmt -114.5 137.83 51.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.866 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.436 ' CE1' ' HB3' ' A' ' 58' ' ' ASN . 46.2 t80 -141.23 156.55 45.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.895 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.834 HG23 ' O ' ' A' ' 24' ' ' VAL . 41.0 m -144.97 118.25 8.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.142 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.474 HD12 ' CG2' ' A' ' 24' ' ' VAL . 16.7 mt -70.6 147.4 11.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.131 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.503 ' HA ' HG22 ' A' ' 23' ' ' THR . 28.7 p -121.4 141.22 51.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.132 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 80.28 70.24 1.35 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.51 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 14.0 mt -131.34 132.97 23.94 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.597 0.713 . . . . 0.0 110.903 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 128.32 15.89 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.68 2.254 . . . . 0.0 112.385 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 18.0 m -54.45 142.72 26.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.144 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 23.4 t70 61.45 50.48 4.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.822 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.438 ' C ' HD12 ' A' ' 101' ' ' LEU . . . -127.88 135.45 50.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.108 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 78.9 mttt -92.17 129.57 38.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.935 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.486 HG22 ' HA ' ' A' ' 48' ' ' PHE . 2.8 pp -141.82 154.96 19.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.13 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.569 ' CE1' ' HB3' ' A' ' 99' ' ' PRO . 40.4 m-85 -103.81 143.49 32.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.862 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 57.9 t -125.85 129.52 72.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.143 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.606 ' NH2' ' CD1' ' A' ' 54' ' ' TRP . 30.6 ptt180 -140.23 130.86 25.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.864 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.59 HG23 ' HG2' ' A' ' 11' ' ' PRO . 33.1 m -120.14 152.03 22.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.116 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 28.7 pttt -150.71 159.32 44.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -98.37 129.78 45.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.112 179.781 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 89.7 t -119.92 120.92 64.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.16 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.567 ' N ' ' ND2' ' A' ' 86' ' ' ASN . 0.0 OUTLIER -128.29 176.19 7.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.733 ' HB3' ' CB ' ' A' ' 37' ' ' ALA . . . -44.94 -52.14 9.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.108 179.846 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -49.24 -41.5 37.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.083 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 162.04 -144.06 9.37 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.521 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -118.52 162.82 17.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.773 0.32 . . . . 0.0 111.061 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 2.2 m -105.29 159.01 16.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.849 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -59.39 143.5 85.48 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.633 0.73 . . . . 0.0 110.877 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.83 152.79 69.03 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.691 2.261 . . . . 0.0 112.36 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 5.5 tmtm? -116.5 113.15 22.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.922 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -94.58 115.27 27.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.905 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . 0.5 ' CD1' ' N ' ' A' ' 97' ' ' SER . 37.5 t80 -57.33 167.45 0.95 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.894 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . 0.5 ' N ' ' CD1' ' A' ' 96' ' ' TYR . 25.8 t -63.37 -72.64 0.13 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.819 -179.847 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 73.1 mt-30 -109.58 153.12 43.05 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.591 0.71 . . . . 0.0 110.935 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.569 ' HB3' ' CE1' ' A' ' 79' ' ' PHE . 53.8 Cg_endo -69.82 127.78 15.03 Favored 'Trans proline' 0 N--CA 1.465 -0.168 0 C-N-CA 122.687 2.258 . . . . 0.0 112.369 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.77 ' H ' HD12 ' A' ' 100' ' ' ILE . 4.4 mp -68.98 131.75 33.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.09 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.438 HD12 ' C ' ' A' ' 76' ' ' ALA . 12.2 tp -108.03 95.7 5.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.931 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.589 HG23 ' O ' ' A' ' 20' ' ' THR . 4.7 p -41.6 102.61 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.143 179.804 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 0.782 ' O ' HG12 ' A' ' 19' ' ' VAL . 26.6 tptp -142.97 154.1 43.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.41 ' N ' ' HG3' ' A' ' 103' ' ' LYS . 4.0 tm-20 -91.71 151.35 20.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.857 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 9.8 m -169.24 112.81 0.53 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.835 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -63.83 164.42 31.37 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.503 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 112.9 3.21 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.662 2.241 . . . . 0.0 112.327 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 15.8 t -90.95 119.39 31.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.862 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 96.3 p -107.91 164.75 12.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.883 -179.788 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.46 -179.997 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 95.0 p -114.04 125.36 53.9 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.856 0.36 . . . . 0.0 110.853 -179.74 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 73.0 p -46.56 -51.01 16.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.856 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 125.05 88.33 0.75 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.492 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.2 m -136.77 165.32 26.2 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.872 0.368 . . . . 0.0 110.865 -179.722 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 87.1 p -148.82 140.84 23.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.84 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.467 ' HA3' ' HB2' ' A' ' 36' ' ' ALA . . . -77.63 1.59 66.36 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.526 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -111.34 148.9 31.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.793 0.33 . . . . 0.0 111.159 -179.86 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.3 m -78.26 149.9 76.51 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.684 0.754 . . . . 0.0 110.858 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 168.08 22.64 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.668 2.246 . . . . 0.0 112.319 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 136.15 32.28 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.686 2.258 . . . . 0.0 112.341 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 41.2 p -127.18 169.05 13.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.096 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 28.4 mt 61.63 50.95 4.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.893 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.505 HD22 ' N ' ' A' ' 15' ' ' THR . 1.9 tm? -92.85 117.48 30.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.9 179.853 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.505 ' N ' HD22 ' A' ' 14' ' ' LEU . 4.4 m -148.08 153.28 38.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.171 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.665 HG22 ' SD ' ' A' ' 26' ' ' MET . 5.9 t -81.62 105.41 11.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.124 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -61.24 -65.98 0.61 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.502 ' O ' HG23 ' A' ' 19' ' ' VAL . 2.0 m -123.47 174.89 7.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.857 -179.778 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.502 HG23 ' O ' ' A' ' 18' ' ' SER . 39.0 t -158.35 129.08 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.156 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -127.64 151.24 49.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.146 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 15.7 p-10 -65.93 -5.34 9.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.833 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.508 ' O ' HG23 ' A' ' 23' ' ' THR . 12.8 p -110.43 -29.31 8.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.129 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.581 HG22 ' HA ' ' A' ' 70' ' ' THR . 21.9 p -158.84 167.89 28.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.123 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.932 ' O ' HG23 ' A' ' 68' ' ' THR . 20.1 m -118.85 165.57 14.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.117 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 89.8 m -133.91 117.51 16.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.148 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.665 ' SD ' HG22 ' A' ' 16' ' ' VAL . 81.3 mmm -115.71 118.19 32.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.862 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.402 ' HD3' ' C ' ' A' ' 27' ' ' ARG . 0.0 OUTLIER -109.36 154.22 22.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.847 -179.943 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 40.6 p90 -158.27 170.08 23.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 25.1 mtp180 -121.68 161.43 41.87 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.594 0.711 . . . . 0.0 110.88 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 165.67 30.1 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.684 2.256 . . . . 0.0 112.35 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 175.29 8.31 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.668 2.245 . . . . 0.0 112.331 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -48.09 -40.15 22.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.908 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 5.0 t60 -173.54 156.21 2.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.879 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 26.3 mm -105.11 131.37 54.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.113 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -148.15 -42.47 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.46 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.467 ' HB2' ' HA3' ' A' ' 7' ' ' GLY . . . -64.21 99.87 0.3 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.784 0.326 . . . . 0.0 111.082 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . 40.87 33.88 0.24 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.123 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 67.78 -161.36 49.22 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.488 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.801 HD12 ' OD1' ' A' ' 86' ' ' ASN . 4.4 tp -133.69 137.51 45.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.809 0.337 . . . . 0.0 110.916 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -124.39 96.15 4.8 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 179.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.44 ' C ' ' CD1' ' A' ' 42' ' ' TYR . . . 44.9 -168.36 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.493 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.592 ' N ' ' CD1' ' A' ' 42' ' ' TYR . 0.1 OUTLIER -139.69 171.64 13.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.938 0.399 . . . . 0.0 110.892 -179.777 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.469 HG21 HG21 ' A' ' 85' ' ' VAL . 94.3 t -114.35 133.46 60.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.137 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.424 ' O ' ' HB3' ' A' ' 57' ' ' ALA . 6.0 tt -136.2 134.17 37.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.919 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -141.93 163.62 32.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 27.4 p90 -136.11 137.43 41.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.509 ' HB2' ' CD2' ' A' ' 54' ' ' TRP . 46.8 t -108.28 121.8 45.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.864 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -83.92 144.1 29.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.905 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -60.09 106.52 0.52 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.863 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 107.56 40.4 1.76 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.501 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 26.2 p -124.7 171.51 10.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.78 0.324 . . . . 0.0 111.136 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 69.7 mm-40 -104.82 -36.58 7.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.911 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -135.64 144.06 45.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.86 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.52 ' CH2' ' HD2' ' A' ' 81' ' ' ARG . 54.6 m95 -52.23 151.76 3.71 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.96 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 5.2 mp -100.03 112.24 32.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.147 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 91.8 t -53.38 116.91 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.144 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.424 ' HB3' ' O ' ' A' ' 44' ' ' LEU . . . -81.6 -63.38 1.41 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.111 179.847 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 9.3 p-10 -76.85 157.46 31.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.899 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 9.7 mmtp -79.93 -63.05 1.5 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.923 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.403 ' C ' ' HG ' ' A' ' 61' ' ' LEU . 0.8 OUTLIER -114.36 -66.91 1.04 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 179.874 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.403 ' HG ' ' C ' ' A' ' 60' ' ' ASP . 12.9 mt -149.86 168.55 23.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.887 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.535 HG22 ' O ' ' A' ' 64' ' ' LYS . 24.2 mt -111.79 103.8 16.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.155 179.826 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -56.12 -62.91 1.39 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.535 ' O ' HG22 ' A' ' 62' ' ' ILE . 2.5 mmpt? -74.05 161.77 29.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.878 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -81.18 13.1 3.0 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.13 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 10.5 mmtm -122.86 160.28 26.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.88 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 22.9 t80 -163.03 145.7 10.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.932 HG23 ' O ' ' A' ' 24' ' ' VAL . 61.5 m -132.47 132.58 42.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.126 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.496 ' O ' HG22 ' A' ' 23' ' ' THR . 65.0 mt -86.41 134.15 28.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.139 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.581 ' HA ' HG22 ' A' ' 23' ' ' THR . 65.5 p -111.52 129.33 56.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.141 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 94.83 69.62 1.07 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.493 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 15.2 mt -130.11 126.45 22.34 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.532 0.682 . . . . 0.0 110.964 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.496 ' O ' ' HB3' ' A' ' 76' ' ' ALA . 53.3 Cg_endo -69.78 130.99 20.28 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.696 2.264 . . . . 0.0 112.281 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.462 HG22 ' N ' ' A' ' 75' ' ' ASP . 57.7 m -49.46 156.81 0.58 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.106 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.462 ' N ' HG22 ' A' ' 74' ' ' THR . 0.9 OUTLIER 46.63 41.38 9.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.831 179.897 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.548 ' O ' HG12 ' A' ' 102' ' ' VAL . . . -120.38 127.33 52.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.09 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 66.9 mttt -93.49 133.51 36.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.89 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 17.3 pt -137.4 156.45 33.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.154 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -98.04 154.36 17.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.498 HG11 ' HE2' ' A' ' 26' ' ' MET . 73.2 t -136.01 136.18 49.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.14 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.52 ' HD2' ' CH2' ' A' ' 54' ' ' TRP . 5.4 ptm180 -153.44 133.5 13.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.876 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 10.0 m -125.14 164.17 24.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.091 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 8.6 pttm -154.42 171.81 18.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.865 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -105.16 101.76 11.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.144 179.782 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.469 HG21 HG21 ' A' ' 43' ' ' VAL . 40.7 t -104.39 108.91 25.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.155 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.801 ' OD1' HD12 ' A' ' 39' ' ' LEU . 0.0 OUTLIER -125.51 -179.59 4.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -51.12 -42.18 60.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.1 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -57.97 -48.13 80.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.113 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 171.27 -133.46 2.76 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.502 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -136.62 155.94 49.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.786 0.327 . . . . 0.0 111.072 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.3 t -109.28 157.93 18.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -52.04 142.7 26.12 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.671 0.748 . . . . 0.0 110.839 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 153.85 68.61 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.71 2.274 . . . . 0.0 112.336 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 4.9 tppt? -104.01 99.27 9.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.937 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 63.5 m-85 -81.82 117.31 22.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.927 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . 0.424 ' O ' ' C ' ' A' ' 97' ' ' SER . 1.2 t80 -71.32 122.23 19.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.91 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . 0.424 ' C ' ' O ' ' A' ' 96' ' ' TYR . 32.8 m -36.4 -70.15 0.1 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.829 -179.824 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -102.81 154.16 37.71 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.562 0.696 . . . . 0.0 110.907 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 162.63 41.33 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.694 2.263 . . . . 0.0 112.345 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.754 ' N ' HD12 ' A' ' 100' ' ' ILE . 1.9 mp -101.85 134.6 41.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.116 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 19.8 tp -100.97 141.49 33.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.911 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.548 HG12 ' O ' ' A' ' 76' ' ' ALA . 5.5 p -100.1 76.62 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.099 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 10.2 tptm -133.8 139.11 46.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.936 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 10.1 tm-20 -75.34 163.0 27.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.885 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 29.4 t -98.56 -69.33 0.76 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.801 -179.76 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 141.73 -92.61 0.18 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.49 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 160.21 50.55 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.691 2.261 . . . . 0.0 112.335 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 12.1 t 65.81 36.61 6.06 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.849 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 1.4 t -94.54 31.76 1.71 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.859 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.481 -179.971 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 61.7 m -148.13 116.49 6.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.872 0.368 . . . . 0.0 110.861 -179.688 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 76.0 p -50.69 117.89 2.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.874 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -76.55 128.06 9.03 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.508 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 72.6 m -93.92 108.79 20.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.871 0.367 . . . . 0.0 110.846 -179.693 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 79.7 p -46.59 109.48 0.2 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.829 -179.806 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -89.26 44.1 3.07 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.486 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -133.49 164.0 28.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.786 0.326 . . . . 0.0 111.135 -179.85 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -92.5 143.75 27.72 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.623 0.725 . . . . 0.0 110.883 -179.863 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 168.68 20.83 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.669 2.246 . . . . 0.0 112.331 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 122.69 9.36 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.645 2.23 . . . . 0.0 112.336 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 64.0 p -110.69 -175.42 2.71 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.154 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 33.5 mt 50.72 40.47 24.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.683 ' C ' HD13 ' A' ' 14' ' ' LEU . 3.0 tm? -86.92 109.81 19.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.913 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.46 ' CG2' ' N ' ' A' ' 16' ' ' VAL . 4.5 m -142.87 155.84 44.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.17 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.512 HG23 ' CE2' ' A' ' 96' ' ' TYR . 5.3 t -77.13 94.73 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.131 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -51.67 -62.15 1.8 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 4.7 m -141.04 164.63 29.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.467 HG13 HG12 ' A' ' 24' ' ' VAL . 46.6 t -144.32 133.43 18.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.141 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.456 ' O ' ' N ' ' A' ' 22' ' ' THR . 1.3 m -128.28 131.14 48.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.114 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -38.67 -28.0 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.866 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.456 ' N ' ' O ' ' A' ' 20' ' ' THR . 1.2 p -88.02 -57.33 2.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.143 -179.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 22.3 p -133.47 158.09 43.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.161 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.467 HG12 HG13 ' A' ' 19' ' ' VAL . 31.8 m -111.59 147.97 15.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.124 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.442 ' CG2' ' HE2' ' A' ' 66' ' ' LYS . 13.7 m -113.67 142.26 46.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.137 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 96.4 mmm -133.68 146.15 50.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.936 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 7.7 ptt180 -129.43 152.53 48.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.847 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.475 ' HH2' HG21 ' A' ' 62' ' ' ILE . 16.8 p90 -160.04 171.09 19.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.948 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 22.9 mtt180 -132.72 154.21 81.37 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.596 0.712 . . . . 0.0 110.847 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.84 169.95 17.82 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.669 2.246 . . . . 0.0 112.326 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 153.95 68.42 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.729 2.286 . . . . 0.0 112.346 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.493 ' O ' ' CG ' ' A' ' 33' ' ' HIS . 19.3 t0 -40.33 -41.72 1.41 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.825 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.507 ' C ' HD13 ' A' ' 34' ' ' ILE . 55.4 m-70 -166.49 171.46 11.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.879 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.507 HD13 ' C ' ' A' ' 33' ' ' HIS . 3.1 mm -107.19 137.23 39.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.105 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.419 ' O ' ' C ' ' A' ' 36' ' ' ALA . . . -81.25 64.12 4.21 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.485 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.419 ' C ' ' O ' ' A' ' 35' ' ' GLY . . . 35.55 38.84 0.05 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.798 0.332 . . . . 0.0 111.135 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -116.29 -40.41 3.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.087 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 103.55 109.51 3.37 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.478 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.421 HD21 ' CZ ' ' A' ' 42' ' ' TYR . 6.4 tp -82.33 128.41 34.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.8 0.333 . . . . 0.0 110.889 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.425 ' O ' ' C ' ' A' ' 41' ' ' GLY . 15.3 m-20 -104.93 95.36 5.81 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.87 179.822 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.444 ' C ' ' CG ' ' A' ' 42' ' ' TYR . . . 35.35 -140.83 0.16 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.494 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.444 ' CG ' ' C ' ' A' ' 41' ' ' GLY . 1.1 m-85 -157.09 168.49 27.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.89 0.376 . . . . 0.0 110.949 -179.824 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 91.1 t -127.51 130.27 70.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.113 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.508 HD12 ' CG1' ' A' ' 82' ' ' VAL . 5.3 tt -124.14 141.69 51.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.872 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.449 ' N ' HD23 ' A' ' 44' ' ' LEU . 78.6 mt-10 -145.76 155.13 42.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 13.5 p90 -130.54 129.25 42.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.901 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.497 ' HB2' ' CD2' ' A' ' 54' ' ' TRP . 41.6 t -101.94 100.47 10.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.911 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 5.9 t80 -55.76 164.7 1.05 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -75.68 -31.62 59.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.926 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -99.41 42.55 1.98 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.47 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 2.2 p -142.45 165.96 25.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.754 0.311 . . . . 0.0 111.125 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -108.08 -38.49 5.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.904 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -112.31 151.15 30.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.894 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.497 ' CD2' ' HB2' ' A' ' 47' ' ' CYS . 71.8 m95 -59.64 151.46 24.74 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 28.5 mt -106.35 98.21 6.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.143 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 76.8 t -40.42 122.35 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.126 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -92.14 -50.12 5.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.151 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 16.3 p-10 -87.75 162.64 16.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 25.6 tptp -84.75 -56.25 3.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.901 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -123.21 -65.09 1.11 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.84 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 85.4 mt -153.33 154.93 35.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.94 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.475 HG21 ' HH2' ' A' ' 28' ' ' TRP . 18.2 mt -102.86 124.84 57.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.092 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 34.2 m-20 -87.05 -46.81 9.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.866 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 26.8 mtpp -66.38 160.57 24.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.9 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -87.31 2.22 50.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.151 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.442 ' HE2' ' CG2' ' A' ' 25' ' ' THR . 12.6 mtpt -129.12 152.24 48.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.907 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 32.5 t80 -143.47 149.67 37.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.909 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 97.1 m -133.14 118.43 18.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.149 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 58.0 mt -74.5 132.32 33.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.123 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 35.7 p -105.55 134.91 47.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.126 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 86.03 75.61 1.25 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.474 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 18.1 mt -137.05 127.53 16.06 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.576 0.703 . . . . 0.0 110.944 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 131.1 20.49 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.693 2.262 . . . . 0.0 112.37 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.525 HG22 ' OD2' ' A' ' 75' ' ' ASP . 50.2 m -52.94 144.18 15.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.141 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.525 ' OD2' HG22 ' A' ' 74' ' ' THR . 16.0 m-20 61.58 45.13 8.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.842 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.582 ' O ' HG12 ' A' ' 102' ' ' VAL . . . -123.56 142.16 51.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.099 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 79.1 mttt -104.36 136.16 44.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.921 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 33.0 pt -143.05 156.67 17.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.148 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 86.8 m-85 -103.68 122.01 44.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.901 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.502 HG13 HD21 ' A' ' 44' ' ' LEU . 83.1 t -108.04 138.35 35.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.095 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.44 ' HG2' ' CZ3' ' A' ' 54' ' ' TRP . 25.1 ptt180 -151.42 138.04 18.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.836 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.508 ' CG1' HD12 ' A' ' 44' ' ' LEU . 4.8 m -116.42 147.32 19.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.084 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 4.3 mtmm -132.84 140.91 48.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.884 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -88.3 110.57 20.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.105 179.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 77.3 t -99.66 129.88 49.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.12 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.461 ' N ' ' ND2' ' A' ' 86' ' ' ASN . 0.3 OUTLIER -132.21 174.47 10.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.834 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.56 -41.33 80.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.117 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.15 -52.72 62.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.121 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -175.99 -126.91 0.99 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.494 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -145.42 153.77 41.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.787 0.327 . . . . 0.0 111.099 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 7.5 t -101.03 169.16 9.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.859 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -59.1 144.03 83.42 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.688 0.756 . . . . 0.0 110.88 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 146.57 60.41 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.669 2.246 . . . . 0.0 112.349 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 34.0 tptt -95.95 104.13 16.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.887 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 50.3 m-85 -88.02 122.45 31.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.917 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . 0.512 ' CE2' HG23 ' A' ' 16' ' ' VAL . 2.0 t80 -71.88 132.57 44.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.878 -179.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 3.3 t -46.14 -70.49 0.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.864 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -103.03 147.49 34.2 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.613 0.721 . . . . 0.0 110.872 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 148.84 65.73 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.677 2.251 . . . . 0.0 112.344 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.466 ' H ' HD12 ' A' ' 100' ' ' ILE . 5.0 mp -86.11 142.38 13.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.129 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.48 ' O ' ' N ' ' A' ' 103' ' ' LYS . 45.2 tp -114.25 102.55 10.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.906 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.59 HG22 ' O ' ' A' ' 102' ' ' VAL . 1.8 p -55.68 82.84 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.132 179.85 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 0.48 ' N ' ' O ' ' A' ' 101' ' ' LEU . 12.8 tptp -142.29 135.01 28.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.9 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -72.91 158.07 36.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.931 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 80.1 p -70.58 -26.89 63.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.837 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 91.87 -158.04 24.75 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.467 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -5.46 16.24 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.674 2.25 . . . . 0.0 112.355 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 12.6 t -40.76 137.24 1.22 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.82 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 50.8 m -53.74 120.24 5.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.85 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.486 -179.98 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.7 p -116.92 74.53 0.92 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.861 0.362 . . . . 0.0 110.87 -179.759 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 4' ' ' GLY . 2.6 m -175.0 162.07 3.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.87 -179.778 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.408 ' C ' ' O ' ' A' ' 3' ' ' SER . . . -35.51 138.19 0.3 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.534 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.441 ' O ' ' C ' ' A' ' 6' ' ' SER . 60.4 p -79.46 52.47 1.38 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.844 0.354 . . . . 0.0 110.883 -179.753 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.441 ' C ' ' O ' ' A' ' 5' ' ' SER . 46.9 p 34.75 46.28 0.19 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.854 -179.779 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 67.99 -75.04 0.25 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.49 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.611 HG22 ' N ' ' A' ' 9' ' ' SER . 56.9 m -94.23 164.97 12.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.782 0.325 . . . . 0.0 111.143 -179.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.611 ' N ' HG22 ' A' ' 8' ' ' THR . 1.9 m -88.32 150.01 46.0 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.621 0.724 . . . . 0.0 110.866 -179.85 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 169.48 18.85 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.655 2.236 . . . . 0.0 112.315 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.556 ' HD3' ' HB2' ' A' ' 84' ' ' ALA . 54.5 Cg_endo -69.72 148.32 65.06 Favored 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.66 2.24 . . . . 0.0 112.374 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 53.7 p -134.32 177.36 7.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.118 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.9 mt 55.51 53.3 9.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.967 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.438 HD12 ' HD1' ' A' ' 96' ' ' TYR . 2.0 tm? -83.59 118.78 24.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.948 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.432 HG22 ' N ' ' A' ' 16' ' ' VAL . 41.0 m -142.82 154.98 44.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.156 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.432 ' N ' HG22 ' A' ' 15' ' ' THR . 3.6 t -89.0 112.79 24.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.116 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -70.16 -49.67 48.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.842 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.2 t -159.15 153.52 24.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.862 -179.719 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 19.2 t -142.5 130.08 19.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.12 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.74 HG22 ' H ' ' A' ' 21' ' ' ASP . 0.6 OUTLIER -108.14 -178.2 3.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.116 -179.935 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.74 ' H ' HG22 ' A' ' 20' ' ' THR . 4.2 m-20 -87.97 -5.22 58.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -125.13 -21.21 4.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.147 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.473 HG22 ' HA ' ' A' ' 70' ' ' THR . 36.0 p -145.39 166.1 26.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.1 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.712 ' CG2' HD12 ' A' ' 69' ' ' ILE . 15.9 m -134.09 135.62 54.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.114 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.7 m -104.6 130.91 52.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.152 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.436 ' CE ' HG11 ' A' ' 80' ' ' VAL . 97.9 mmm -129.78 125.23 35.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.9 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.41 ' HD3' ' C ' ' A' ' 27' ' ' ARG . 0.1 OUTLIER -117.19 146.82 42.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.85 -179.92 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.436 ' HB3' HD23 ' A' ' 14' ' ' LEU . 41.5 p90 -140.42 177.7 7.82 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.907 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 5.1 mmm180 -120.3 150.38 51.54 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.602 0.715 . . . . 0.0 110.885 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 162.62 41.37 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.716 2.278 . . . . 0.0 112.333 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.521 ' HG2' HD13 ' A' ' 34' ' ' ILE . 54.2 Cg_endo -69.71 142.23 47.59 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.719 2.279 . . . . 0.0 112.339 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -42.31 -49.41 5.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.846 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 56.7 t-80 -136.35 147.73 47.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.828 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.521 HD13 ' HG2' ' A' ' 31' ' ' PRO . 20.6 mm -94.32 109.3 21.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.11 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -48.01 146.91 4.74 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.486 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -39.37 -42.63 1.09 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.841 0.353 . . . . 0.0 111.113 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.928 ' HB1' ' HB3' ' A' ' 87' ' ' ALA . . . -54.04 -47.11 71.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.057 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 108.25 137.17 8.1 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.518 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 7.4 tp -79.89 132.91 36.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.859 0.361 . . . . 0.0 110.926 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -115.87 97.91 6.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.434 ' C ' ' CG ' ' A' ' 42' ' ' TYR . . . 41.15 -145.87 0.49 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.507 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.434 ' CG ' ' C ' ' A' ' 41' ' ' GLY . 0.2 OUTLIER -155.61 173.48 16.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.92 0.391 . . . . 0.0 110.957 -179.827 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 59.5 t -127.62 131.44 70.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.127 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.748 HD12 ' CG1' ' A' ' 82' ' ' VAL . 4.2 tp -111.47 135.52 51.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.862 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 55.0 mt-10 -144.72 132.4 21.1 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.865 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 20.2 p90 -124.44 131.48 53.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.923 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 1.2 t -96.45 122.56 39.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.884 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -86.42 137.29 32.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.466 ' CD ' ' N ' ' A' ' 50' ' ' GLY . 2.8 pp20? -54.77 -40.0 68.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.868 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.466 ' N ' ' CD ' ' A' ' 49' ' ' GLU . . . -69.21 -18.76 73.44 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.532 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 78.8 p -107.39 179.38 4.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.733 0.302 . . . . 0.0 111.115 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -120.77 -35.91 3.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.899 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -89.84 150.35 22.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.886 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 63.0 m95 -71.69 138.33 48.48 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 5.4 mp -101.95 142.01 17.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.126 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 1.6 p -93.36 150.15 4.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.153 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -107.89 -40.04 5.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.114 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 16.9 p-10 -89.71 150.39 22.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.883 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.452 ' HG2' ' N ' ' A' ' 60' ' ' ASP . 0.0 OUTLIER -82.87 -32.98 27.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.916 179.899 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.452 ' N ' ' HG2' ' A' ' 59' ' ' LYS . 2.0 t70 -133.48 -70.99 0.52 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.822 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 37.3 mt -155.27 162.16 40.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.917 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.535 HG22 ' H ' ' A' ' 64' ' ' LYS . 20.9 mt -105.6 113.07 41.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.09 179.848 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -89.87 37.35 0.88 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.853 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.535 ' H ' HG22 ' A' ' 62' ' ' ILE . 0.0 OUTLIER -155.27 139.8 16.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.871 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 5.0 p -67.05 -3.53 7.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.129 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.7 mmmm -121.44 166.59 13.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.536 ' CD1' ' N ' ' A' ' 68' ' ' THR . 24.8 t80 -166.62 156.47 11.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.536 ' N ' ' CD1' ' A' ' 67' ' ' PHE . 31.4 m -144.08 128.32 17.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.151 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.712 HD12 ' CG2' ' A' ' 24' ' ' VAL . 17.9 mt -91.92 140.21 16.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.087 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.473 ' HA ' HG22 ' A' ' 23' ' ' THR . 73.1 p -119.64 137.21 54.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.176 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 94.11 61.31 1.09 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.482 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 36.6 mt -131.43 132.89 23.83 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.627 0.727 . . . . 0.0 110.89 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.659 ' O ' HG11 ' A' ' 102' ' ' VAL . 53.9 Cg_endo -69.79 146.04 58.81 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.642 2.228 . . . . 0.0 112.371 179.858 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.601 HG23 ' OD1' ' A' ' 21' ' ' ASP . 22.1 m -73.36 153.25 40.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.12 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 7.9 t70 57.84 37.7 27.03 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -115.99 149.57 38.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.075 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.593 ' HG2' HD22 ' A' ' 101' ' ' LEU . 31.5 mttt -107.99 135.39 49.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.887 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 32.9 pt -146.76 154.16 12.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.141 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -102.12 131.55 48.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.905 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.603 ' CG2' HD13 ' A' ' 100' ' ' ILE . 79.2 t -106.82 144.61 15.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.124 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 20.9 ptt180 -159.44 133.61 7.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.875 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.748 ' CG1' HD12 ' A' ' 44' ' ' LEU . 1.7 m -125.28 144.82 33.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.145 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -133.72 174.51 10.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.556 ' HB2' ' HD3' ' A' ' 11' ' ' PRO . . . -117.12 131.25 56.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.112 179.838 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 76.0 t -117.99 129.56 74.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.141 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -145.49 179.03 7.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.873 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.928 ' HB3' ' HB1' ' A' ' 37' ' ' ALA . . . -49.38 -51.38 35.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.136 179.845 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -47.51 -52.29 17.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.067 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 170.15 -130.04 1.94 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.458 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -134.57 143.82 47.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.787 0.327 . . . . 0.0 111.092 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.7 t -101.32 152.78 20.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.845 -179.79 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -57.42 142.08 77.07 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.625 0.726 . . . . 0.0 110.889 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.5 ' HG2' ' CE1' ' A' ' 95' ' ' TYR . 53.9 Cg_endo -69.74 148.7 65.76 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.717 2.278 . . . . 0.0 112.342 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 2.9 tppt? -92.0 113.22 25.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.93 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . 0.5 ' CE1' ' HG2' ' A' ' 93' ' ' PRO . 58.4 m-85 -91.28 120.36 32.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.891 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . 0.438 ' HD1' HD12 ' A' ' 14' ' ' LEU . 27.9 t80 -68.01 166.59 15.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.911 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 67.9 p -62.9 -74.28 0.1 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.9 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -105.29 159.31 29.87 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.572 0.701 . . . . 0.0 110.946 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 147.72 63.59 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.734 2.289 . . . . 0.0 112.363 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.603 HD13 ' CG2' ' A' ' 80' ' ' VAL . 5.2 mp -88.59 129.46 39.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.11 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.593 HD22 ' HG2' ' A' ' 77' ' ' LYS . 0.1 OUTLIER -99.46 110.43 22.91 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.88 179.913 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.659 HG11 ' O ' ' A' ' 73' ' ' PRO . 7.3 p -59.45 82.38 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.166 179.806 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 0.424 ' N ' ' O ' ' A' ' 101' ' ' LEU . 14.0 tptp -143.42 146.57 33.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.947 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -80.03 149.16 30.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.891 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 10.6 t -175.02 109.63 0.11 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.886 -179.762 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -84.76 170.21 45.62 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.501 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 173.53 10.83 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.695 2.264 . . . . 0.0 112.379 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 11.7 t -119.59 136.62 54.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.86 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 34.0 m -105.08 90.92 3.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.863 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.452 -179.947 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 92.7 p -127.87 160.7 30.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.854 0.359 . . . . 0.0 110.846 -179.723 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 72.7 m -72.26 119.69 16.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.859 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -124.24 -57.85 0.18 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.505 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.9 m -66.68 -60.07 3.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.892 0.377 . . . . 0.0 110.849 -179.722 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.565 ' O ' ' HB3' ' A' ' 88' ' ' ALA . 12.3 t 68.25 28.54 6.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.872 -179.835 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 86.06 -61.62 4.47 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.487 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.521 HG22 ' N ' ' A' ' 9' ' ' SER . 46.1 m -100.46 159.92 14.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.789 0.328 . . . . 0.0 111.125 -179.839 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.521 ' N ' HG22 ' A' ' 8' ' ' THR . 17.7 m -78.83 148.86 73.2 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.684 0.754 . . . . 0.0 110.849 -179.86 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 168.79 20.55 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.647 2.232 . . . . 0.0 112.347 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 122.41 9.08 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.668 2.245 . . . . 0.0 112.319 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 79.5 p -106.53 -177.56 3.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.164 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.685 HD13 ' NH1' ' A' ' 29' ' ' ARG . 33.3 mt 49.39 49.63 19.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.919 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.477 ' C ' HD13 ' A' ' 14' ' ' LEU . 3.4 tm? -86.97 112.99 22.35 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.934 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 21.3 m -153.97 143.2 21.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.151 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.418 HG22 ' SD ' ' A' ' 26' ' ' MET . 2.8 t -64.48 146.76 12.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.103 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -106.52 -56.98 2.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.854 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 33.0 p -138.13 148.36 44.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.841 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 77.4 t -131.86 125.2 54.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.094 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.686 HG23 ' CD ' ' A' ' 104' ' ' GLU . 0.8 OUTLIER -132.19 128.0 37.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.137 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.54 ' HA ' HG22 ' A' ' 102' ' ' VAL . 2.7 p-10 -35.46 -33.19 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.858 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.456 ' N ' ' O ' ' A' ' 20' ' ' THR . 29.3 p -71.11 -54.1 12.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.141 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 20.6 p -152.27 162.48 41.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.139 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.419 ' CG2' HD12 ' A' ' 69' ' ' ILE . 34.5 m -104.35 164.85 3.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.149 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 68.6 m -134.78 122.42 22.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.12 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.685 ' HG3' HG11 ' A' ' 80' ' ' VAL . 79.7 mmm -112.66 130.25 56.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.856 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 4.8 ptm180 -115.09 149.48 37.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.862 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 26.1 p90 -163.37 174.32 12.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.924 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.685 ' NH1' HD13 ' A' ' 13' ' ' LEU . 31.2 mtt85 -129.25 156.68 77.97 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.587 0.708 . . . . 0.0 110.884 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 168.71 20.71 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.66 2.24 . . . . 0.0 112.358 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.409 ' HG2' HD13 ' A' ' 34' ' ' ILE . 53.9 Cg_endo -69.75 136.98 34.42 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.752 2.301 . . . . 0.0 112.322 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -39.46 -42.77 1.15 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.872 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 28.6 m170 -133.58 162.64 31.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.871 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.495 ' HA ' HG23 ' A' ' 8' ' ' THR . 3.2 mm -113.88 120.28 63.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.15 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -48.85 156.53 1.33 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.444 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -54.31 -41.88 69.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.81 0.338 . . . . 0.0 111.116 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -57.18 -26.53 60.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.113 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 105.58 -175.14 21.54 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.494 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.493 HD12 ' OD1' ' A' ' 86' ' ' ASN . 8.0 tp -133.61 135.56 44.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.784 0.326 . . . . 0.0 110.87 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.423 ' O ' ' C ' ' A' ' 41' ' ' GLY . 36.1 m-20 -121.39 96.67 5.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.84 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.423 ' C ' ' O ' ' A' ' 40' ' ' ASP . . . 36.54 -151.72 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.432 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -148.65 177.59 9.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.89 0.376 . . . . 0.0 110.967 -179.804 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.425 ' CG2' HG21 ' A' ' 85' ' ' VAL . 23.3 t -133.92 142.09 42.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.169 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.574 HD23 ' C ' ' A' ' 44' ' ' LEU . 7.7 tt -138.9 135.83 34.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.946 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.403 ' N ' HD23 ' A' ' 44' ' ' LEU . 5.8 mt-10 -138.01 158.07 45.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.856 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 8.0 p90 -137.38 133.5 34.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.926 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.451 ' HB2' ' CD2' ' A' ' 54' ' ' TRP . 1.2 t -103.2 127.98 50.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.874 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -87.27 141.78 28.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.915 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -62.02 -27.28 68.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.864 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -75.62 -18.17 79.85 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.449 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 66.4 p -122.34 144.12 49.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.75 0.309 . . . . 0.0 111.157 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -91.55 27.87 1.88 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -138.85 152.4 47.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.839 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.451 ' CD2' ' HB2' ' A' ' 47' ' ' CYS . 79.9 m95 -83.23 122.13 28.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.942 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 27.8 mt -90.2 101.8 12.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.118 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.459 HG12 ' O ' ' A' ' 58' ' ' ASN . 91.7 t -56.3 124.71 10.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.124 179.833 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -84.17 -54.27 4.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.128 179.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.459 ' O ' HG12 ' A' ' 56' ' ' VAL . 1.0 OUTLIER -74.85 149.04 39.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.883 -179.942 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.408 ' N ' ' OD1' ' A' ' 58' ' ' ASN . 24.2 mtpt -87.46 -65.57 1.0 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.929 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -102.55 -68.24 0.84 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.847 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 95.6 mt -155.35 159.58 40.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.91 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.645 HG22 ' H ' ' A' ' 64' ' ' LYS . 45.7 mt -103.64 126.8 58.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.137 179.832 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 43.3 t0 -108.06 38.01 2.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.87 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.645 ' H ' HG22 ' A' ' 62' ' ' ILE . 10.3 pttm -149.9 146.09 26.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.913 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 16.7 p -76.89 3.11 12.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.108 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 63.8 mttt -141.85 138.38 32.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.936 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.497 ' CD1' ' N ' ' A' ' 68' ' ' THR . 22.4 t80 -129.04 151.69 49.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.902 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.497 ' N ' ' CD1' ' A' ' 67' ' ' PHE . 64.7 m -134.15 117.53 16.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.158 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.419 HD12 ' CG2' ' A' ' 24' ' ' VAL . 15.6 mt -79.22 107.81 12.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.095 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 62.6 p -83.78 129.63 34.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.137 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 96.28 70.76 1.06 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.487 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 17.5 mt -133.85 126.06 18.61 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.633 0.73 . . . . 0.0 110.911 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 133.1 24.64 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.706 2.271 . . . . 0.0 112.322 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.492 HG22 ' CG ' ' A' ' 75' ' ' ASP . 88.2 m -58.7 143.01 48.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.135 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.492 ' CG ' HG22 ' A' ' 74' ' ' THR . 6.0 m-20 70.34 29.9 3.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.853 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.663 ' O ' HG12 ' A' ' 102' ' ' VAL . . . -113.79 141.27 47.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.09 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 26.6 mttm -108.12 136.46 47.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.923 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.405 ' C ' HD12 ' A' ' 78' ' ' ILE . 2.7 pp -141.87 159.12 20.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.117 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 54.3 m-85 -104.16 132.34 50.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.917 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.685 HG11 ' HG3' ' A' ' 26' ' ' MET . 74.9 t -112.01 132.22 61.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.125 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 34.6 ptt180 -146.45 128.13 15.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.847 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 34.0 m -125.97 152.63 33.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.161 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.8 167.94 22.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -93.38 120.36 33.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.073 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.425 HG21 ' CG2' ' A' ' 43' ' ' VAL . 45.6 t -107.7 120.95 59.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.121 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.523 ' N ' ' ND2' ' A' ' 86' ' ' ASN . 0.0 OUTLIER -139.75 177.43 7.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.889 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -54.55 -46.06 73.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.084 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.565 ' HB3' ' O ' ' A' ' 6' ' ' SER . . . -47.84 -34.41 8.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.132 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 151.47 -109.36 0.42 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.498 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -155.29 151.66 28.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.78 0.324 . . . . 0.0 111.136 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 19.6 m -101.89 158.02 16.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.874 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -50.48 143.06 14.38 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.686 0.755 . . . . 0.0 110.868 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 149.4 66.73 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.696 2.264 . . . . 0.0 112.363 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 20.1 tptp -101.52 120.18 39.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.925 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 -102.55 121.8 43.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.962 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 7.1 t80 -72.77 142.58 48.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.911 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 4.9 m -48.57 -73.24 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.863 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 11.3 mm100 -108.56 151.28 41.56 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.553 0.692 . . . . 0.0 110.946 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 149.22 66.56 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.677 2.251 . . . . 0.0 112.341 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.597 ' H ' HD12 ' A' ' 100' ' ' ILE . 3.7 mp -89.62 125.98 42.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.146 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.474 ' O ' ' N ' ' A' ' 103' ' ' LYS . 37.4 tp -97.85 101.89 13.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.912 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.663 HG12 ' O ' ' A' ' 76' ' ' ALA . 2.7 p -54.67 84.05 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.089 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 0.474 ' N ' ' O ' ' A' ' 101' ' ' LEU . 20.5 tptp -143.08 132.82 23.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.909 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.686 ' CD ' HG23 ' A' ' 20' ' ' THR . 3.1 tp10 -83.34 150.54 26.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.914 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . 0.436 ' N ' ' HG3' ' A' ' 104' ' ' GLU . 11.2 p -76.18 -48.23 21.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.843 -179.786 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 129.97 -95.91 0.36 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.501 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 144.31 53.49 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.676 2.251 . . . . 0.0 112.298 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 70.6 m -99.55 -50.63 4.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.845 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 64.3 m -122.08 121.52 37.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.877 -179.795 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.511 -179.953 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.511 -0.236 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.4 m -82.02 139.25 34.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.872 0.368 . . . . 0.0 110.876 -179.749 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.2 t -113.72 98.95 7.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.854 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 115.75 148.63 9.29 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.475 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 83.9 p -63.0 157.51 21.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.927 0.394 . . . . 0.0 110.84 -179.752 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.9 p -95.27 15.02 20.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.907 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.704 ' HA3' ' HB2' ' A' ' 36' ' ' ALA . . . 82.5 -55.67 4.98 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.51 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -92.01 150.57 20.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.854 0.359 . . . . 0.0 111.098 -179.863 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.5 t -78.69 149.3 74.33 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.701 0.762 . . . . 0.0 110.884 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.76 169.24 19.37 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.718 2.279 . . . . 0.0 112.354 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 129.65 18.0 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.68 2.253 . . . . 0.0 112.342 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 44.9 p -112.98 -177.98 3.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.139 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 80.6 mt 55.56 48.97 17.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.914 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.49 HD12 ' HD1' ' A' ' 96' ' ' TYR . 1.9 tm? -81.79 109.47 16.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.955 179.829 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 45.4 p -133.77 158.12 44.15 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.139 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.418 HG23 ' CZ ' ' A' ' 96' ' ' TYR . 21.4 t -94.78 84.4 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.115 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 16' ' ' VAL . 25.4 t70 -36.07 -60.22 0.56 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.861 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.566 ' O ' HG23 ' A' ' 19' ' ' VAL . 20.9 t -157.81 177.7 11.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.823 -179.757 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.859 HG13 HG12 ' A' ' 24' ' ' VAL . 39.8 t -160.15 147.98 6.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.126 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -133.51 158.11 43.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.128 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.708 ' OD1' HG23 ' A' ' 74' ' ' THR . 6.4 m-20 -59.75 -15.18 18.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.853 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 29.7 p -98.84 -53.32 3.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.113 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 16.6 p -139.64 163.08 33.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.114 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.859 HG12 HG13 ' A' ' 19' ' ' VAL . 31.0 m -111.5 163.82 7.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.123 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 28.8 m -132.14 127.94 37.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.15 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 99.0 mmm -115.91 160.27 20.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.901 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.439 ' HD3' ' N ' ' A' ' 28' ' ' TRP . 0.0 OUTLIER -148.94 151.54 34.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.859 -179.935 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.547 ' CZ3' HD12 ' A' ' 44' ' ' LEU . 26.5 p90 -163.62 172.63 14.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.889 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 16.2 mtt180 -123.43 154.49 65.99 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.601 0.715 . . . . 0.0 110.908 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 168.57 21.2 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.705 2.27 . . . . 0.0 112.308 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 153.9 68.33 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.722 2.282 . . . . 0.0 112.308 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -39.52 -50.01 2.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.854 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.55 ' C ' HD12 ' A' ' 34' ' ' ILE . 9.6 t-80 -162.71 157.48 21.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.866 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.707 ' N ' HD12 ' A' ' 34' ' ' ILE . 1.2 mp -102.39 126.6 56.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.135 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -126.31 -44.39 0.25 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.467 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.704 ' HB2' ' HA3' ' A' ' 7' ' ' GLY . . . -56.46 -174.95 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.803 0.335 . . . . 0.0 111.061 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.52 ' CB ' ' HB3' ' A' ' 87' ' ' ALA . . . -33.85 -34.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.091 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.474 ' N ' ' O ' ' A' ' 36' ' ' ALA . . . 151.08 -159.35 28.14 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.456 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 7.3 tp -132.98 124.8 28.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.807 0.337 . . . . 0.0 110.912 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.412 ' O ' ' C ' ' A' ' 41' ' ' GLY . 19.9 m-20 -110.49 95.13 5.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 179.823 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.465 ' C ' ' CG ' ' A' ' 42' ' ' TYR . . . 36.84 -134.91 0.75 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.499 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.465 ' CG ' ' C ' ' A' ' 41' ' ' GLY . 1.4 m-85 -157.99 169.41 24.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.9 0.381 . . . . 0.0 110.92 -179.816 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 95.0 t -133.79 127.54 52.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.112 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.547 HD12 ' CZ3' ' A' ' 28' ' ' TRP . 8.4 tt -122.08 130.56 53.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.906 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 76.4 mt-10 -134.46 153.71 51.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.91 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 26.4 p90 -134.18 137.32 44.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.928 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.51 ' HB2' ' CD2' ' A' ' 54' ' ' TRP . 26.1 t -107.82 133.79 51.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.867 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -90.66 147.83 23.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.868 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -59.78 133.59 56.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.931 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 94.38 -48.03 2.14 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.522 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 68.0 p -74.44 118.36 17.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.745 0.307 . . . . 0.0 111.111 -179.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -83.33 37.82 0.58 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -144.49 138.37 27.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.851 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.51 ' CD2' ' HB2' ' A' ' 47' ' ' CYS . 85.9 m95 -82.84 135.77 34.84 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.946 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 5.2 mp -98.43 122.4 50.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.133 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.422 HG12 ' O ' ' A' ' 58' ' ' ASN . 36.8 t -70.86 130.53 34.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.178 179.811 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -93.42 -49.42 5.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.082 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.422 ' O ' HG12 ' A' ' 56' ' ' VAL . 11.3 p-10 -83.06 165.89 19.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 5.5 ptpt -91.17 -49.37 6.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.927 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 16.3 t0 -125.47 -74.92 0.6 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.838 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 43.5 mt -137.9 173.43 11.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.946 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 24.6 mt -116.47 125.19 73.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.149 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 12.7 t0 -84.07 -57.95 2.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 42.1 mttp -68.96 164.99 20.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.885 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -85.52 -4.36 59.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.131 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 17.6 mtmt -119.05 163.4 17.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.864 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.494 ' CD1' ' N ' ' A' ' 68' ' ' THR . 21.1 t80 -153.89 154.45 33.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.888 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.494 ' N ' ' CD1' ' A' ' 67' ' ' PHE . 7.3 m -130.2 123.03 29.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.116 -179.865 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.432 ' HB ' HG22 ' A' ' 24' ' ' VAL . 52.4 mt -87.22 103.65 13.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.15 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 48.8 p -86.41 137.08 32.84 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.118 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 91.87 65.19 1.14 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.507 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 19.9 mt -132.68 132.6 22.72 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.566 0.698 . . . . 0.0 110.913 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.449 ' O ' HG11 ' A' ' 102' ' ' VAL . 53.5 Cg_endo -69.78 130.74 19.84 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.673 2.248 . . . . 0.0 112.339 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.708 HG23 ' OD1' ' A' ' 21' ' ' ASP . 81.5 m -59.51 137.51 57.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.104 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 14.9 t70 69.59 49.81 0.54 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.863 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.503 ' O ' HD12 ' A' ' 101' ' ' LEU . . . -130.95 139.57 50.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.07 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 43.5 mttp -96.45 126.09 41.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.876 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 14.2 pt -139.24 146.59 25.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.151 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 64.6 m-85 -99.74 138.79 36.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 40.3 t -117.19 145.54 22.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.12 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.448 ' HG2' ' CZ3' ' A' ' 54' ' ' TRP . 4.1 ptp180 -146.84 133.46 19.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.907 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 21.1 m -126.97 128.15 70.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.111 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 28.9 pttt -131.99 163.86 27.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.939 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -100.67 135.77 41.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.107 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 87.5 t -119.69 135.11 61.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.147 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.487 ' N ' ' ND2' ' A' ' 86' ' ' ASN . 0.0 OUTLIER -144.4 167.59 22.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.856 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.52 ' HB3' ' CB ' ' A' ' 37' ' ' ALA . . . -39.02 -44.01 1.05 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.125 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -56.44 -52.8 63.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.063 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 172.39 -130.92 2.01 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.449 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -128.22 161.26 29.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.818 0.342 . . . . 0.0 111.098 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 2.8 m -104.12 167.38 9.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.859 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -62.45 142.4 96.35 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.643 0.735 . . . . 0.0 110.89 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 147.38 62.53 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.674 2.249 . . . . 0.0 112.341 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 2.2 tppt? -107.47 99.79 9.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 28.1 m-85 -84.61 116.02 22.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.927 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . 0.49 ' HD1' HD12 ' A' ' 14' ' ' LEU . 4.6 t80 -55.93 177.86 0.05 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 68.9 m -78.53 -71.53 0.43 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.848 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 47.6 mt-30 -102.72 154.14 37.71 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.61 0.719 . . . . 0.0 110.922 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 112.22 3.02 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.684 2.256 . . . . 0.0 112.334 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 15.8 mt -54.05 111.19 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.145 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.503 HD12 ' O ' ' A' ' 76' ' ' ALA . 31.9 tp -92.79 91.18 7.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.449 HG11 ' O ' ' A' ' 73' ' ' PRO . 2.5 p -39.19 93.48 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.151 179.807 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 0.465 ' N ' ' O ' ' A' ' 101' ' ' LEU . 25.2 tptt -144.6 145.03 31.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -79.38 161.19 26.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.89 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 2.0 m -105.29 -35.05 7.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.826 -179.784 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -164.95 146.1 10.92 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.449 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.68 -27.41 26.88 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.706 2.27 . . . . 0.0 112.378 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 34.4 t -65.65 128.73 37.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.85 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 52.8 p -101.53 128.37 47.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.277 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.472 -179.973 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.2 p -107.12 103.81 13.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.869 0.366 . . . . 0.0 110.891 -179.74 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.8 p -54.44 173.0 0.08 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.917 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 62.13 60.04 8.59 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.529 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.6 t -110.27 125.59 53.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.872 0.368 . . . . 0.0 110.845 -179.719 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.4 p -130.36 -46.61 1.09 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.819 -179.796 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 127.56 -40.89 1.67 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.449 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.1 p -90.99 173.07 8.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.832 0.349 . . . . 0.0 111.13 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 22.1 m -97.82 149.85 36.15 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.677 0.751 . . . . 0.0 110.874 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 169.75 18.2 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.631 2.221 . . . . 0.0 112.316 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.573 ' HG2' HG23 ' A' ' 82' ' ' VAL . 53.5 Cg_endo -69.76 121.07 7.77 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.676 2.25 . . . . 0.0 112.321 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 42.2 p -101.79 176.77 5.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.173 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.691 HD12 ' NE ' ' A' ' 29' ' ' ARG . 13.4 mt 56.28 45.63 22.66 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.918 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.649 ' C ' HD13 ' A' ' 14' ' ' LEU . 2.0 tm? -85.59 109.13 18.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.937 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.42 ' N ' HD13 ' A' ' 14' ' ' LEU . 5.1 t -135.0 157.63 46.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.16 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 44.8 t -77.27 89.28 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.124 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -45.4 -58.91 2.99 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 17.0 m -154.23 171.52 19.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.827 -179.709 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 1.033 HG13 HG12 ' A' ' 24' ' ' VAL . 58.2 t -151.99 136.78 10.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.115 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.529 HG23 ' OE2' ' A' ' 104' ' ' GLU . 24.9 m -133.96 137.44 44.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.203 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -38.3 -30.86 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.868 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.425 ' N ' ' O ' ' A' ' 20' ' ' THR . 38.2 p -83.55 -63.24 1.39 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.178 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 54.3 p -130.81 165.92 21.96 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.109 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 1.033 HG12 HG13 ' A' ' 19' ' ' VAL . 34.2 m -118.93 154.67 21.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.121 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 28.0 m -118.48 142.97 47.06 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.125 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.458 ' HG3' HG11 ' A' ' 80' ' ' VAL . 84.3 mmm -140.06 120.97 14.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.936 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 10.8 ptt180 -102.82 152.1 21.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.863 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 34.3 p90 -153.59 165.63 35.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.691 ' NE ' HD12 ' A' ' 13' ' ' LEU . 1.7 ttp180 -121.37 139.07 29.02 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.636 0.731 . . . . 0.0 110.848 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 166.19 28.4 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.704 2.269 . . . . 0.0 112.338 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.448 ' HG2' ' CD1' ' A' ' 34' ' ' ILE . 53.9 Cg_endo -69.75 138.99 39.18 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.697 2.265 . . . . 0.0 112.349 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -62.08 -46.92 86.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.864 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.798 ' O ' HD13 ' A' ' 34' ' ' ILE . 28.6 t-80 -93.12 141.89 27.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.862 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.798 HD13 ' O ' ' A' ' 33' ' ' HIS . 22.4 mm -133.28 116.26 25.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.137 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -139.65 -51.8 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.526 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.412 ' O ' ' C ' ' A' ' 37' ' ' ALA . . . -53.45 91.38 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.845 0.355 . . . . 0.0 111.104 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.572 ' CB ' ' HB3' ' A' ' 87' ' ' ALA . . . 36.42 37.63 0.06 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.133 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.522 ' HA2' HG22 ' A' ' 34' ' ' ILE . . . 66.9 -153.63 52.76 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.461 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.435 HD21 ' CE1' ' A' ' 42' ' ' TYR . 21.9 tp -130.17 136.58 49.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.79 0.329 . . . . 0.0 110.924 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -122.09 94.78 4.41 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.863 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 43.46 -161.66 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.512 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.435 ' CE1' HD21 ' A' ' 39' ' ' LEU . 4.7 m-85 -139.38 -178.09 5.22 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.914 0.388 . . . . 0.0 110.934 -179.792 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 95.9 t -140.21 135.67 36.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.111 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.615 HD23 ' CB ' ' A' ' 57' ' ' ALA . 4.6 tp -112.69 136.7 51.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.907 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -144.28 133.38 22.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 25.2 p90 -126.86 145.77 50.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.866 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.525 ' HB2' ' CD2' ' A' ' 54' ' ' TRP . 19.3 t -114.06 99.96 8.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.896 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.464 ' HA ' HG22 ' A' ' 78' ' ' ILE . 4.2 t80 -53.94 157.12 2.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.918 -179.871 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -70.15 -42.09 72.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.856 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -89.51 40.24 3.06 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.517 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 29.6 p -140.9 -177.52 5.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.749 0.309 . . . . 0.0 111.136 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.3 pp20? -131.59 -35.56 1.29 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.916 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -96.71 145.31 25.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.897 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.525 ' CD2' ' HB2' ' A' ' 47' ' ' CYS . 55.9 m95 -70.92 123.28 21.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 18.0 mt -87.64 138.27 19.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.104 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.426 HG13 ' O ' ' A' ' 56' ' ' VAL . 7.4 p -91.57 122.64 43.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.13 179.833 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.615 ' CB ' HD23 ' A' ' 44' ' ' LEU . . . -73.95 -34.22 64.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.087 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.514 ' HB2' ' CE2' ' A' ' 67' ' ' PHE . 1.1 t30 -152.15 108.76 3.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.925 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -58.74 -58.26 9.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.853 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.497 ' O ' ' ND2' ' A' ' 58' ' ' ASN . 4.1 m-20 -53.05 -174.98 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.886 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 20.3 mt -97.35 134.37 40.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.927 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 6.6 mt -87.83 106.87 16.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.127 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -56.46 -65.22 0.65 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 20.6 mtmm -58.29 169.67 0.82 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.957 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 21.2 p -99.01 34.07 2.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.102 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 16.4 ttpp -158.05 135.85 10.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.842 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.514 ' CE2' ' HB2' ' A' ' 58' ' ' ASN . 35.6 t80 -131.84 156.05 46.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.848 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.423 ' N ' ' CD1' ' A' ' 67' ' ' PHE . 89.3 m -131.03 102.45 6.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.121 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.459 HD12 ' CG2' ' A' ' 24' ' ' VAL . 39.6 mt -48.89 139.35 3.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.119 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 58.5 p -112.36 128.73 56.37 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.185 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 85.47 79.81 1.14 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.511 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 20.4 mt -136.97 130.37 17.52 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.591 0.71 . . . . 0.0 110.933 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 129.14 17.05 Favored 'Trans proline' 0 N--CA 1.465 -0.195 0 C-N-CA 122.699 2.266 . . . . 0.0 112.339 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 18.4 m -59.4 143.48 49.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.1 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 14.3 t70 66.53 47.85 1.59 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -133.9 146.11 50.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.091 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.451 ' HG3' HD13 ' A' ' 101' ' ' LEU . 45.7 mttm -104.67 145.04 30.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.915 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.464 HG22 ' HA ' ' A' ' 48' ' ' PHE . 2.7 pp -153.15 156.24 5.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.148 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 37.9 m-85 -100.76 128.51 46.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.647 HG23 HD13 ' A' ' 100' ' ' ILE . 92.5 t -108.45 141.07 24.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.122 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.429 ' HG2' ' CZ3' ' A' ' 54' ' ' TRP . 46.1 ptt85 -159.56 131.96 6.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.895 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.606 ' CG1' HD12 ' A' ' 44' ' ' LEU . 14.4 m -118.97 148.04 22.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.111 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 43.1 pttt -139.88 139.53 36.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.863 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -70.33 137.93 51.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.095 179.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 86.4 t -125.39 129.02 73.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.148 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -143.82 173.01 12.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.904 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.572 ' HB3' ' CB ' ' A' ' 37' ' ' ALA . . . -42.47 -56.24 3.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.126 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -48.24 -54.15 14.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.098 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 176.59 -113.96 0.46 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.486 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -151.46 166.8 29.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.766 0.317 . . . . 0.0 111.091 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 69.6 m -105.33 166.97 10.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.848 -179.783 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -57.87 144.18 75.21 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.617 0.722 . . . . 0.0 110.903 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 142.66 48.4 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.665 2.243 . . . . 0.0 112.346 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.57 108.21 20.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.89 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 57.9 m-85 -92.79 123.28 35.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.894 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -65.26 179.37 0.75 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.898 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.2 t -79.25 -68.12 0.69 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.874 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 18.1 mm-40 -105.68 155.05 38.78 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.641 0.734 . . . . 0.0 110.888 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 125.2 11.87 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.646 2.231 . . . . 0.0 112.358 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.728 ' H ' HD12 ' A' ' 100' ' ' ILE . 4.8 mp -68.04 138.23 23.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.105 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.454 ' O ' ' N ' ' A' ' 103' ' ' LYS . 8.8 tp -118.69 110.69 17.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.541 HG13 ' O ' ' A' ' 102' ' ' VAL . 5.1 p -58.57 81.19 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.122 179.78 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 0.454 ' N ' ' O ' ' A' ' 101' ' ' LEU . 19.4 tptp -136.97 145.66 44.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.529 ' OE2' HG23 ' A' ' 20' ' ' THR . 7.4 tt0 -88.85 168.15 12.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.906 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 44.7 m -115.91 50.62 1.01 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.872 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 76.04 -157.26 48.33 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.521 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 85.3 0.62 Allowed 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.739 2.292 . . . . 0.0 112.315 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 20.9 t -108.94 143.25 38.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.839 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 3.5 m -137.62 110.72 7.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.867 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.503 -179.983 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.519 -0.232 . . . . 0.0 112.519 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.9 t -84.34 178.69 7.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.903 0.382 . . . . 0.0 110.843 -179.735 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.3 p -143.82 129.04 18.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.848 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 142.88 77.28 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.489 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.2 m -69.57 146.58 51.67 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.909 0.385 . . . . 0.0 110.857 -179.729 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.8 p -94.52 -6.64 43.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.825 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 100.56 -55.56 0.82 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.443 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.977 ' CG2' HG23 ' A' ' 34' ' ' ILE . 3.3 p -83.66 165.03 19.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.838 0.352 . . . . 0.0 111.112 -179.833 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 67.1 m -88.78 150.03 44.97 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.632 0.73 . . . . 0.0 110.887 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 166.2 28.4 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.719 2.279 . . . . 0.0 112.337 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 117.61 5.19 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.711 2.274 . . . . 0.0 112.309 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 47.0 p -100.02 -178.59 3.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.12 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 19.9 mt 54.76 46.54 24.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.925 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -82.44 114.58 20.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.95 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 6.6 t -144.61 156.91 44.36 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.108 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 8.7 t -85.61 102.4 11.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.105 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -54.33 -62.34 1.72 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.876 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.5 t -146.48 172.06 14.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.896 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.712 HG13 HG12 ' A' ' 24' ' ' VAL . 71.8 t -150.86 128.0 2.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.15 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.466 ' O ' ' N ' ' A' ' 22' ' ' THR . 7.5 m -124.79 133.63 53.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.129 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -39.85 -25.82 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.897 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.466 ' N ' ' O ' ' A' ' 20' ' ' THR . 16.6 p -87.36 -55.29 3.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.168 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 48.4 p -140.6 162.11 36.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.113 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.712 HG12 HG13 ' A' ' 19' ' ' VAL . 32.9 m -115.22 152.35 16.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.128 179.83 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 11.5 m -123.43 138.08 54.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.104 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.424 ' HG3' HG11 ' A' ' 80' ' ' VAL . 63.7 mmm -122.27 166.79 14.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.895 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 7.7 ptm180 -150.12 146.81 27.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.933 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 13.2 p90 -157.27 167.13 31.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.919 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 17.6 mtt180 -119.2 154.95 53.87 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.573 0.702 . . . . 0.0 110.867 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 166.05 28.93 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.649 2.232 . . . . 0.0 112.345 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.456 ' HG2' HD11 ' A' ' 34' ' ' ILE . 53.9 Cg_endo -69.71 145.35 57.13 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.734 2.29 . . . . 0.0 112.327 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.425 ' C ' ' O ' ' A' ' 31' ' ' PRO . 5.3 t0 -35.63 -48.15 0.51 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.831 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 13.3 t-80 -161.15 147.02 14.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.87 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.977 HG23 ' CG2' ' A' ' 8' ' ' THR . 4.1 mp -106.64 135.36 45.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.127 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -151.58 42.1 0.72 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.465 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -153.73 108.2 3.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.814 0.34 . . . . 0.0 111.099 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.573 ' HB1' ' HB3' ' A' ' 87' ' ' ALA . . . 40.0 29.63 0.05 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.083 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 62.37 -178.63 5.1 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.485 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 6.3 tp -115.26 138.94 50.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.828 0.347 . . . . 0.0 110.904 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.414 ' O ' ' C ' ' A' ' 41' ' ' GLY . 14.8 m-20 -119.63 99.74 6.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.855 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.414 ' C ' ' O ' ' A' ' 40' ' ' ASP . . . 36.59 -147.46 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.524 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -150.46 156.23 41.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.925 0.393 . . . . 0.0 110.904 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 95.0 t -110.32 127.24 67.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.135 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 5.0 tt -122.06 132.9 54.73 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.891 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 56.9 mt-10 -134.72 164.95 26.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.872 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 13.9 p90 -146.16 141.78 27.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.94 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.581 ' HB2' ' CE3' ' A' ' 54' ' ' TRP . 53.1 t -110.26 117.18 32.96 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.823 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -79.02 135.68 36.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.895 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -51.09 136.62 23.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.886 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 99.53 -46.82 1.38 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.496 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 61.4 p -82.09 120.79 25.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.759 0.314 . . . . 0.0 111.161 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -82.57 39.43 0.61 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -142.19 145.36 34.06 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.583 ' CH2' ' HG3' ' A' ' 81' ' ' ARG . 74.1 m95 -90.1 112.35 23.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.898 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 22.8 mt -78.82 151.32 5.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.138 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 90.1 t -91.99 124.28 44.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.145 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -81.09 -39.85 25.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.091 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.647 ' OD1' HD11 ' A' ' 62' ' ' ILE . 3.9 p-10 -143.19 129.55 19.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.861 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.72 -50.37 10.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.923 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 75.1 m-20 -68.76 176.84 2.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.87 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 4.3 mt -85.58 136.54 33.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.922 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.647 HD11 ' OD1' ' A' ' 58' ' ' ASN . 21.1 mt -86.82 107.44 16.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.141 179.851 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 -65.13 -60.73 2.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.841 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 70.9 mmtt -57.51 171.31 0.45 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.925 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 16.8 p -101.16 21.04 14.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.15 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 18.4 mtmm -142.34 154.9 45.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.931 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 58.9 t80 -145.75 149.91 35.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.926 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 89.7 m -134.99 98.51 4.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.144 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 54.8 mt -50.38 126.07 4.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.146 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 20.4 p -100.4 132.63 45.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.133 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 83.96 79.38 1.07 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.476 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 13.7 mt -135.84 133.01 19.68 Favored Pre-proline 0 C--N 1.327 -0.375 0 CA-C-O 121.573 0.701 . . . . 0.0 110.959 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.678 ' O ' HG11 ' A' ' 102' ' ' VAL . 53.8 Cg_endo -69.79 141.63 45.63 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.679 2.253 . . . . 0.0 112.335 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 42.9 m -68.01 142.3 55.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.155 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 60.87 47.97 7.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.631 ' O ' HD12 ' A' ' 101' ' ' LEU . . . -124.53 140.75 52.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.034 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 38.4 mttp -97.36 129.57 44.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.452 ' C ' HD12 ' A' ' 78' ' ' ILE . 2.7 pp -142.58 163.34 17.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.108 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.526 ' CE1' ' HB3' ' A' ' 99' ' ' PRO . 92.0 m-85 -113.44 149.78 33.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.943 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.452 HG23 HD13 ' A' ' 100' ' ' ILE . 71.4 t -123.49 128.44 74.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.119 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.601 ' NE ' ' CD2' ' A' ' 95' ' ' TYR . 40.6 mmt-85 -131.71 133.11 44.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.854 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 27.9 m -130.2 145.4 35.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.101 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 17.0 pttm -156.42 157.61 35.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.922 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -81.06 154.64 26.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.105 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 96.7 t -148.84 130.22 5.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.085 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -146.03 170.19 17.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.886 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.573 ' HB3' ' HB1' ' A' ' 37' ' ' ALA . . . -42.21 -48.15 4.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.097 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -55.49 -60.59 3.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.066 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -176.69 -151.1 8.68 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.499 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -125.64 163.29 23.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.807 0.337 . . . . 0.0 111.09 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.8 t -102.76 166.17 10.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.841 -179.736 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -54.13 142.23 48.02 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.6 0.714 . . . . 0.0 110.894 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 136.04 32.04 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.708 2.272 . . . . 0.0 112.317 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 20.4 tptp -87.12 123.33 32.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.9 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . 0.601 ' CD2' ' NE ' ' A' ' 81' ' ' ARG . 51.1 m-85 -106.81 112.34 25.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.904 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . 0.545 ' CD1' ' N ' ' A' ' 97' ' ' SER . 28.4 t80 -62.47 166.09 5.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.934 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . 0.545 ' N ' ' CD1' ' A' ' 96' ' ' TYR . 41.0 m -70.8 -73.78 0.16 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.862 -179.838 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 15.0 pt20 -102.72 152.4 38.43 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.615 0.721 . . . . 0.0 110.886 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.526 ' HB3' ' CE1' ' A' ' 79' ' ' PHE . 54.2 Cg_endo -69.71 138.32 37.69 Favored 'Trans proline' 0 C--O 1.232 0.219 0 C-N-CA 122.692 2.262 . . . . 0.0 112.356 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.704 ' H ' HD12 ' A' ' 100' ' ' ILE . 3.5 mp -80.21 130.99 35.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.122 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.631 HD12 ' O ' ' A' ' 76' ' ' ALA . 25.7 tp -113.82 104.67 12.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.919 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.678 HG11 ' O ' ' A' ' 73' ' ' PRO . 3.1 p -50.17 90.87 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.157 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 0.424 ' N ' ' O ' ' A' ' 101' ' ' LEU . 0.4 OUTLIER -137.94 143.68 40.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 179.955 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -71.12 147.27 48.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 13.0 t -80.52 -64.68 1.13 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.869 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 87.83 -155.79 26.99 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.47 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 2.09 3.89 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.648 2.232 . . . . 0.0 112.319 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 2.6 m 60.29 40.75 17.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.849 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 3.7 m -89.08 41.73 1.05 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.884 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.461 -179.995 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.4 t -96.35 70.45 2.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.879 0.371 . . . . 0.0 110.843 -179.693 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 t -41.4 145.34 0.27 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.899 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 165.44 -121.95 1.04 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.523 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.0 t 73.38 52.11 0.12 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.914 0.388 . . . . 0.0 110.842 -179.762 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.5 p -61.8 -49.38 76.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.88 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 145.07 -58.42 0.51 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.51 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.587 HG22 ' HA ' ' A' ' 34' ' ' ILE . 0.8 OUTLIER -83.96 167.35 17.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.78 0.324 . . . . 0.0 111.167 -179.879 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.6 t -85.92 149.66 51.11 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.681 0.753 . . . . 0.0 110.858 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 169.4 18.99 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.662 2.241 . . . . 0.0 112.372 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 130.27 19.02 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.654 2.236 . . . . 0.0 112.376 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 71.1 p -118.24 176.93 5.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.107 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.418 HD23 ' HA ' ' A' ' 13' ' ' LEU . 11.7 mt 59.02 46.52 13.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.923 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -81.86 125.16 30.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.942 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.3 t -154.92 153.64 31.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.156 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 10.2 t -76.69 120.19 26.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.118 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -77.37 -65.27 0.98 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.6 m -136.52 152.45 50.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 42.0 t -140.83 126.67 19.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.129 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.7 m -133.91 141.29 47.29 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.141 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -45.45 -22.88 0.17 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.879 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 74.2 p -86.06 -56.66 3.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.147 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.8 p -143.89 169.89 16.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.163 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 27.2 m -124.38 160.31 29.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.128 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 76.9 m -136.13 132.44 36.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.142 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.721 ' HG3' HG11 ' A' ' 80' ' ' VAL . 87.3 mmm -119.26 150.23 40.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.915 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 15.5 ptt180 -127.8 158.8 36.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.88 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 14.4 p90 -162.08 169.92 20.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.919 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -121.69 150.86 56.25 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.576 0.703 . . . . 0.0 110.882 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 169.55 18.74 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.686 2.257 . . . . 0.0 112.296 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.66 147.17 62.91 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.682 2.255 . . . . 0.0 112.334 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -62.4 -50.64 70.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 1.9 t-160 -114.15 137.71 51.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.587 ' HA ' HG22 ' A' ' 8' ' ' THR . 1.8 mt -127.16 96.33 3.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.171 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -132.24 47.59 1.0 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.521 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.482 ' O ' ' N ' ' A' ' 38' ' ' GLY . . . -151.16 106.85 3.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.784 0.325 . . . . 0.0 111.077 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.414 ' C ' ' O ' ' A' ' 36' ' ' ALA . . . 36.89 29.97 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.11 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.482 ' N ' ' O ' ' A' ' 36' ' ' ALA . . . 64.78 -152.71 50.4 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.467 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.608 HD21 ' OH ' ' A' ' 42' ' ' TYR . 21.4 tp -128.52 136.83 51.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.824 0.345 . . . . 0.0 110.925 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.424 ' O ' ' C ' ' A' ' 41' ' ' GLY . 65.8 m-20 -121.7 95.34 4.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.901 179.831 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.477 ' C ' ' CD1' ' A' ' 42' ' ' TYR . . . 36.26 -149.31 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.433 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.608 ' OH ' HD21 ' A' ' 39' ' ' LEU . 2.5 m-85 -153.37 171.1 19.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.972 0.415 . . . . 0.0 110.903 -179.802 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 85.4 t -127.26 132.71 69.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.106 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.561 HD13 ' HB3' ' A' ' 67' ' ' PHE . 10.2 tt -128.61 139.05 52.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 64.3 mt-10 -147.54 147.77 30.47 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.447 ' HB2' HD12 ' A' ' 78' ' ' ILE . 30.1 p90 -128.27 132.08 48.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.902 -179.855 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 15.2 t -99.29 122.74 42.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.897 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -72.39 166.48 22.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.916 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -76.46 128.18 34.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.856 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 83.17 15.93 70.77 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.518 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 71.3 p -123.48 127.43 48.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.721 0.295 . . . . 0.0 111.15 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -96.01 25.35 4.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.916 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -135.31 119.79 18.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.849 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.475 ' CZ3' ' HG2' ' A' ' 81' ' ' ARG . 83.9 m95 -70.67 131.61 44.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.884 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 89.2 mt -91.73 130.21 41.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.107 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 98.5 t -78.9 118.96 27.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.117 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.47 ' HB1' ' CE1' ' A' ' 67' ' ' PHE . . . -85.38 -47.58 9.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.086 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 25.4 p-10 -90.34 133.37 35.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 2.4 tppp? -60.0 -64.58 0.9 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.915 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -110.78 -74.43 0.65 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.823 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 28.9 mt -141.85 158.25 44.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.421 HG22 ' H ' ' A' ' 64' ' ' LYS . 41.9 mt -102.74 118.36 49.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.105 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -97.07 43.81 1.06 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.829 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.421 ' H ' HG22 ' A' ' 62' ' ' ILE . 28.1 mtpt -157.1 159.39 37.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.902 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 5.2 p -87.81 8.51 25.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.162 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 14.3 mtmt -143.88 154.06 42.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.928 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.561 ' HB3' HD13 ' A' ' 44' ' ' LEU . 21.0 t80 -147.42 144.66 28.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.854 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 17.7 m -124.31 119.21 28.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.117 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 28.6 mt -79.05 103.21 5.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.156 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 65.2 p -82.35 135.95 35.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.155 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 90.03 61.26 1.35 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.501 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 13.6 mt -129.96 131.56 23.56 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.596 0.712 . . . . 0.0 110.966 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 164.33 34.95 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.701 2.268 . . . . 0.0 112.344 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.603 HG22 ' N ' ' A' ' 75' ' ' ASP . 83.8 m -84.71 163.84 18.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.127 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.603 ' N ' HG22 ' A' ' 74' ' ' THR . 0.3 OUTLIER 47.17 28.58 0.99 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.886 179.919 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.463 ' O ' HG12 ' A' ' 102' ' ' VAL . . . -101.01 145.75 28.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.114 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 12.3 mmtp -111.75 121.09 44.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.447 HD12 ' HB2' ' A' ' 46' ' ' TYR . 9.2 pt -133.97 160.87 41.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.117 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 93.8 m-85 -109.8 133.54 53.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.848 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.721 HG11 ' HG3' ' A' ' 26' ' ' MET . 96.3 t -108.42 137.64 39.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.114 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.475 ' HG2' ' CZ3' ' A' ' 54' ' ' TRP . 13.7 ptt180 -148.55 135.9 20.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.847 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 29.9 m -129.75 160.27 40.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.149 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 23.3 pttm -154.65 173.81 15.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.854 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -107.39 116.37 31.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.064 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 95.6 t -111.12 130.18 65.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.137 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.446 ' N ' ' ND2' ' A' ' 86' ' ' ASN . 0.0 OUTLIER -139.43 173.62 11.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.879 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -51.55 -43.3 62.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.09 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -55.75 -61.22 2.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.073 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -170.93 -141.01 3.18 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.474 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -130.66 155.57 46.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.774 0.321 . . . . 0.0 111.124 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.8 m -102.22 168.96 9.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.859 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -65.41 144.73 99.04 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.642 0.734 . . . . 0.0 110.875 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 147.15 62.22 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.706 2.27 . . . . 0.0 112.311 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 25.5 tptt -122.93 112.44 17.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.933 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -101.51 139.6 36.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.927 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -65.66 167.37 9.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.916 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.2 t -68.75 -64.62 0.83 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.908 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -103.41 155.91 36.16 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.537 0.684 . . . . 0.0 110.914 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 146.29 59.61 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.68 2.254 . . . . 0.0 112.334 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.67 HD13 HG23 ' A' ' 80' ' ' VAL . 5.2 mp -88.85 110.83 21.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.125 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.431 HD21 ' HZ1' ' A' ' 103' ' ' LYS . 16.1 tp -87.48 103.23 15.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.717 HG22 ' O ' ' A' ' 102' ' ' VAL . 0.7 OUTLIER -62.16 84.95 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.126 179.823 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 0.498 ' HZ3' ' HB2' ' A' ' 103' ' ' LYS . 0.0 OUTLIER -136.43 149.56 48.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.853 179.927 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.466 ' OE2' ' N ' ' A' ' 105' ' ' SER . 0.5 OUTLIER -74.97 150.85 38.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 179.937 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . 0.466 ' N ' ' OE2' ' A' ' 104' ' ' GLU . 68.7 m -162.78 117.18 1.74 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.855 -179.788 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 138.16 -162.86 25.69 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.49 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 148.32 64.97 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.682 2.255 . . . . 0.0 112.339 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 41.3 p -112.95 44.97 1.41 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.863 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 96.1 p -106.61 140.91 38.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.859 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.503 -179.982 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 90.4 p -105.77 149.65 26.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.913 0.387 . . . . 0.0 110.806 -179.743 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.6 p -131.53 129.25 40.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.872 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 164.36 164.15 18.97 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.506 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.0 t -111.65 -178.06 3.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.847 0.356 . . . . 0.0 110.866 -179.733 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.0 p -79.73 164.92 23.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.867 -179.799 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -105.32 -3.52 41.16 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.521 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -128.08 170.67 12.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.794 0.33 . . . . 0.0 111.123 -179.855 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 18.8 m -94.36 147.33 33.13 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.643 0.735 . . . . 0.0 110.867 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 169.59 18.51 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.717 2.278 . . . . 0.0 112.351 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.624 ' HG2' HG23 ' A' ' 82' ' ' VAL . 54.0 Cg_endo -69.69 129.83 18.36 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.726 2.284 . . . . 0.0 112.376 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 43.1 p -120.32 179.54 4.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.132 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 16.7 mt 53.29 46.0 27.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.451 ' C ' HD13 ' A' ' 14' ' ' LEU . 3.0 tm? -86.16 112.56 21.43 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.916 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 51.1 p -137.01 157.97 45.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.178 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.483 ' CG1' HG23 ' A' ' 19' ' ' VAL . 6.7 t -85.13 99.29 7.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.126 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -56.65 -60.95 2.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.861 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 15.8 p -146.18 154.91 42.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.819 -179.755 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.483 HG23 ' CG1' ' A' ' 16' ' ' VAL . 25.4 t -142.87 128.58 16.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.126 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -120.11 151.42 39.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.163 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -53.94 -17.17 2.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.865 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 3.0 p -98.12 -61.62 1.36 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.129 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 23.1 p -125.91 168.64 13.61 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.16 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.924 ' O ' HG23 ' A' ' 68' ' ' THR . 16.5 m -121.71 155.52 26.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.13 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 19.0 m -126.28 136.09 52.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.116 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 93.2 mmm -124.97 157.14 36.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.866 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 11.1 ptm180 -140.39 140.3 35.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.924 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 11.3 p90 -149.05 165.63 31.13 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.951 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 25.1 mtt180 -119.52 157.01 52.83 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.609 0.719 . . . . 0.0 110.812 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 169.14 19.69 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.632 2.222 . . . . 0.0 112.34 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.458 ' HG2' ' CD1' ' A' ' 34' ' ' ILE . 53.8 Cg_endo -69.78 144.82 55.12 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.656 2.237 . . . . 0.0 112.335 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.447 ' C ' ' O ' ' A' ' 31' ' ' PRO . 25.5 t0 -34.71 -39.41 0.09 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 26.2 t60 -160.3 170.91 20.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.458 ' CD1' ' HG2' ' A' ' 31' ' ' PRO . 43.0 mm -120.06 120.65 63.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.114 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -74.44 -172.79 28.8 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.51 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.423 ' O ' ' C ' ' A' ' 37' ' ' ALA . . . -59.69 -51.74 68.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.771 0.319 . . . . 0.0 111.099 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.423 ' C ' ' O ' ' A' ' 36' ' ' ALA . . . -35.55 -42.02 0.22 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.086 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 97.73 179.76 33.26 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.508 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.5 tp -133.78 134.4 42.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.792 0.33 . . . . 0.0 110.909 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -124.16 98.05 5.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.836 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.432 ' C ' ' CG ' ' A' ' 42' ' ' TYR . . . 41.76 -147.19 0.5 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.484 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.432 ' CG ' ' C ' ' A' ' 41' ' ' GLY . 2.2 m-85 -156.93 175.67 13.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.9 0.381 . . . . 0.0 110.935 -179.804 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 69.5 t -125.8 133.31 69.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.128 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.457 HD13 ' HB3' ' A' ' 67' ' ' PHE . 9.6 tt -136.31 131.46 34.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.924 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -144.59 170.81 15.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 6.0 p90 -139.48 140.52 37.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.875 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 4.7 t -110.39 91.16 3.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.9 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -49.67 157.71 0.53 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.825 -179.809 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -77.92 135.68 37.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.872 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 97.72 -44.3 1.85 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.473 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 19.3 p -68.89 -41.23 78.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.754 0.312 . . . . 0.0 111.153 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 67.82 26.43 7.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.879 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -133.0 142.2 48.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.88 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.548 ' CZ3' ' HG2' ' A' ' 81' ' ' ARG . 88.7 m95 -87.75 110.59 20.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 17.4 mt -83.91 138.98 18.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.121 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 70.5 t -71.67 112.88 7.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.11 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.466 ' HB1' ' CE1' ' A' ' 67' ' ' PHE . . . -80.05 -64.15 1.25 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.083 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.496 ' HB3' ' CE2' ' A' ' 67' ' ' PHE . 7.5 p-10 -84.31 98.11 9.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.918 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 34.0 ttmt -44.66 -34.53 2.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.427 ' O ' ' C ' ' A' ' 61' ' ' LEU . 10.7 m-20 -128.49 147.17 50.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.866 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.427 ' C ' ' O ' ' A' ' 60' ' ' ASP . 35.1 mt -34.74 142.65 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 10.2 mt -90.68 139.81 17.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.159 179.802 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -103.98 -49.24 3.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.829 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 26.8 mmtt -69.28 166.56 18.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.921 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 44.4 p -94.84 35.62 1.24 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.164 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 18.1 ttmt -160.38 143.42 13.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.496 ' CE2' ' HB3' ' A' ' 58' ' ' ASN . 51.8 t80 -142.94 156.71 44.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.889 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.924 HG23 ' O ' ' A' ' 24' ' ' VAL . 93.6 m -139.46 130.42 26.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.154 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 20.9 mt -86.45 120.44 36.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.103 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 40.9 p -97.92 128.99 44.86 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.151 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 95.01 72.78 1.17 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.49 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 51.1 mt -137.96 135.32 18.61 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.684 0.754 . . . . 0.0 110.871 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.718 ' O ' HG11 ' A' ' 102' ' ' VAL . 53.5 Cg_endo -69.75 153.51 68.89 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.644 2.23 . . . . 0.0 112.34 179.849 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 43.2 m -79.56 144.39 33.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.154 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 39.0 t70 66.87 37.55 4.0 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.81 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.418 ' O ' HG12 ' A' ' 102' ' ' VAL . . . -119.33 149.81 41.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.128 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 2.8 mtmp? -111.88 125.23 53.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.403 ' C ' HD12 ' A' ' 78' ' ' ILE . 2.8 pp -129.52 153.89 39.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.097 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 89.3 m-85 -101.47 136.41 41.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.907 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 71.8 t -117.08 131.98 68.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.119 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.548 ' HG2' ' CZ3' ' A' ' 54' ' ' TRP . 0.2 OUTLIER -146.42 124.96 12.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.624 HG23 ' HG2' ' A' ' 11' ' ' PRO . 10.2 m -105.88 161.01 5.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.153 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 19.8 ttpt -154.88 148.77 25.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -101.65 142.11 33.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.119 179.792 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 2.8 t -132.37 132.64 60.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.139 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.489 ' N ' ' ND2' ' A' ' 86' ' ' ASN . 0.0 OUTLIER -146.52 -178.52 6.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.866 -179.961 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -47.13 -50.51 20.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.094 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -53.62 -25.82 19.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.117 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 140.11 -116.98 1.24 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.527 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -144.42 155.77 43.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.817 0.341 . . . . 0.0 111.089 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 92.6 p -101.15 169.59 8.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.859 -179.803 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -65.72 141.8 97.92 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.668 0.747 . . . . 0.0 110.871 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 145.76 57.98 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.692 2.262 . . . . 0.0 112.353 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 38.9 tptt -103.27 99.35 9.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.886 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -81.83 133.7 35.35 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.933 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . 0.502 ' CD1' ' O ' ' A' ' 98' ' ' GLN . 1.9 t80 -77.1 129.68 36.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 30.7 t -42.0 -72.37 0.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.825 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . 0.502 ' O ' ' CD1' ' A' ' 96' ' ' TYR . 3.6 pt20 -103.83 148.77 36.34 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.549 0.69 . . . . 0.0 110.919 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 158.51 56.72 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.7 2.267 . . . . 0.0 112.327 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 11.3 mt -100.04 139.35 21.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.109 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.497 ' O ' ' N ' ' A' ' 103' ' ' LYS . 9.8 tp -107.07 99.12 8.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.718 HG11 ' O ' ' A' ' 73' ' ' PRO . 7.3 p -50.72 86.55 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.125 179.83 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 0.497 ' N ' ' O ' ' A' ' 101' ' ' LEU . 35.8 tptt -140.94 155.37 46.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.867 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -97.78 147.67 24.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.887 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . 0.445 ' O ' ' C ' ' A' ' 106' ' ' GLY . 31.5 t -107.31 98.63 8.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.841 -179.743 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . 0.445 ' C ' ' O ' ' A' ' 105' ' ' SER . . . -34.38 145.83 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.489 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 171.94 13.52 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.709 2.273 . . . . 0.0 112.353 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 3.6 m -169.34 148.12 3.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.874 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 67.4 m -52.29 136.77 30.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.851 -179.788 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.473 -179.976 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.451 -0.26 . . . . 0.0 112.451 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.8 t -171.18 154.41 4.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.845 0.355 . . . . 0.0 110.882 -179.758 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.8 t -49.84 124.34 9.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.894 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -104.34 72.62 0.25 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.47 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.4 t -122.36 96.52 5.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.859 0.361 . . . . 0.0 110.828 -179.727 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.412 ' HB2' ' C ' ' A' ' 89' ' ' GLY . 5.1 t -108.5 160.18 16.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.855 -179.837 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -113.4 41.11 2.3 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.459 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.6 p -140.58 145.88 37.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.804 0.335 . . . . 0.0 111.154 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.5 m -80.13 149.64 70.04 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.647 0.737 . . . . 0.0 110.865 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 160.15 50.78 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.67 2.247 . . . . 0.0 112.336 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.517 ' HD3' ' HB2' ' A' ' 84' ' ' ALA . 53.8 Cg_endo -69.8 131.66 21.64 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.672 2.248 . . . . 0.0 112.316 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 69.8 p -114.87 -178.81 3.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.122 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 19.4 mt 57.01 37.05 28.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.949 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.467 HD13 ' O ' ' A' ' 14' ' ' LEU . 2.4 tm? -83.39 108.98 16.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.947 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.418 HG22 ' N ' ' A' ' 16' ' ' VAL . 35.5 m -143.61 154.5 43.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.138 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.539 HG22 ' SD ' ' A' ' 26' ' ' MET . 11.1 t -76.34 104.31 4.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.147 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -53.2 -61.07 2.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.897 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.2 m -155.96 150.05 25.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.859 -179.77 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.52 HG13 HG12 ' A' ' 24' ' ' VAL . 54.8 t -129.27 148.06 33.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.13 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.412 ' C ' ' N ' ' A' ' 22' ' ' THR . 19.6 m -147.24 148.16 31.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.132 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 85.2 m-20 -44.0 -22.66 0.06 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.855 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.412 ' N ' ' C ' ' A' ' 20' ' ' THR . 23.8 p -81.4 -69.64 0.59 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.145 -179.876 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.576 HG21 ' HA ' ' A' ' 70' ' ' THR . 71.4 p -141.27 168.93 18.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.131 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.52 HG12 HG13 ' A' ' 19' ' ' VAL . 35.2 m -105.83 153.73 7.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.136 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 29.1 m -129.09 126.54 39.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.149 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.539 ' SD ' HG22 ' A' ' 16' ' ' VAL . 28.5 mmm -118.19 163.3 16.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.89 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 10.4 ptm180 -146.56 151.45 37.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.893 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 27.2 p90 -160.52 176.73 11.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.927 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 19.2 mtt180 -131.57 158.05 76.43 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.639 0.733 . . . . 0.0 110.876 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 169.74 18.17 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.715 2.277 . . . . 0.0 112.334 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.429 ' O ' ' C ' ' A' ' 32' ' ' ASP . 53.7 Cg_endo -69.74 141.44 45.3 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.712 2.275 . . . . 0.0 112.354 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.429 ' C ' ' O ' ' A' ' 31' ' ' PRO . 10.8 m-20 -35.36 -51.84 0.61 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.864 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 50.2 m80 -131.53 159.45 38.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.832 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 2.6 mm -110.94 107.41 22.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.136 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -47.4 173.53 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.49 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.98 -36.67 84.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.79 0.329 . . . . 0.0 111.058 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -53.86 -32.17 52.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.155 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 82.22 118.15 0.52 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.498 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -76.3 140.06 41.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.847 0.356 . . . . 0.0 110.888 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -118.98 94.09 4.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.806 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 46.93 -156.48 0.64 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.511 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.483 ' N ' ' CD1' ' A' ' 42' ' ' TYR . 0.1 OUTLIER -146.38 177.35 9.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.955 0.407 . . . . 0.0 110.921 -179.826 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 19.9 t -133.86 131.82 56.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.144 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.401 HD23 ' N ' ' A' ' 45' ' ' GLU . 7.3 tt -119.6 137.96 53.52 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.918 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.401 ' N ' HD23 ' A' ' 44' ' ' LEU . 21.4 mt-10 -141.82 147.13 36.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.881 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 13.7 p90 -129.12 138.71 51.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.89 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.552 ' HB2' ' CE3' ' A' ' 54' ' ' TRP . 12.0 t -109.53 116.64 32.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.941 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -67.2 163.27 20.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.927 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -66.61 -43.55 84.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.897 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -92.57 57.82 2.64 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.518 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 2.9 p -152.04 166.38 31.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.757 0.313 . . . . 0.0 111.147 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -124.02 4.22 8.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.907 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -143.95 144.99 31.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.839 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.552 ' CE3' ' HB2' ' A' ' 47' ' ' CYS . 96.5 m95 -66.17 157.96 29.96 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.957 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 12.2 mt -119.59 145.0 26.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.141 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.459 HG12 ' O ' ' A' ' 58' ' ' ASN . 73.6 t -94.35 126.44 46.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.11 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -91.95 -43.37 9.49 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.11 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.459 ' O ' HG12 ' A' ' 56' ' ' VAL . 8.2 p-10 -82.13 158.85 23.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.847 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 10.0 tppt? -84.45 -51.77 6.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.917 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -125.57 -65.7 0.99 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.864 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 23.6 mt -144.96 171.74 14.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.919 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.589 HG22 ' O ' ' A' ' 64' ' ' LYS . 52.6 mt -116.75 102.31 13.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.107 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -64.58 -61.41 2.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.589 ' O ' HG22 ' A' ' 62' ' ' ILE . 6.2 mtpm? -65.78 154.49 38.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 81.5 p -87.94 40.79 0.96 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.165 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 14.5 ttmt -160.13 140.93 12.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.862 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.508 ' CD1' ' N ' ' A' ' 68' ' ' THR . 10.2 t80 -137.67 156.1 48.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.893 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.508 ' N ' ' CD1' ' A' ' 67' ' ' PHE . 40.0 m -140.21 111.19 6.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.121 -179.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 46.6 mt -67.13 105.17 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.162 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.576 ' HA ' HG21 ' A' ' 23' ' ' THR . 35.9 p -82.73 131.58 35.2 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.12 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 91.21 71.84 1.22 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.483 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 10.9 mt -131.23 125.66 21.05 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.63 0.728 . . . . 0.0 110.918 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 128.54 16.21 Favored 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 122.714 2.276 . . . . 0.0 112.356 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.524 HG22 ' N ' ' A' ' 75' ' ' ASP . 89.7 m -50.57 159.29 0.53 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.112 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.524 ' N ' HG22 ' A' ' 74' ' ' THR . 1.2 p30 46.33 47.44 13.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.886 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.598 ' O ' HG12 ' A' ' 102' ' ' VAL . . . -126.93 142.4 51.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.086 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 64.2 mttt -102.64 141.18 35.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.401 HD12 ' C ' ' A' ' 78' ' ' ILE . 2.8 pp -148.14 -179.58 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.091 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 69.1 m-85 -127.97 149.57 50.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.857 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.698 HG23 HD13 ' A' ' 100' ' ' ILE . 96.7 t -128.4 120.99 54.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.118 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.603 ' NE ' ' CD1' ' A' ' 95' ' ' TYR . 34.2 mmt-85 -130.03 132.22 46.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.856 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 22.5 m -126.34 137.73 56.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.157 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 28.6 pttt -139.15 136.07 34.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.934 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.517 ' HB2' ' HD3' ' A' ' 11' ' ' PRO . . . -66.96 125.46 26.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.1 179.839 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 97.8 t -111.38 116.31 52.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.134 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.476 ' N ' ' ND2' ' A' ' 86' ' ' ASN . 0.1 OUTLIER -123.12 174.2 7.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.874 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.21 -39.24 93.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.052 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -69.15 -52.1 31.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.052 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . 0.412 ' C ' ' HB2' ' A' ' 6' ' ' SER . . . -179.17 177.24 48.33 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.504 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -102.11 159.28 15.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.785 0.326 . . . . 0.0 111.131 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.3 t -102.72 161.84 13.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.85 -179.784 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 19.4 pt-20 -47.52 143.3 5.66 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.703 0.764 . . . . 0.0 110.863 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 138.3 37.6 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.741 2.294 . . . . 0.0 112.316 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 12.8 tptp -86.54 111.4 20.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.91 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . 0.603 ' CD1' ' NE ' ' A' ' 81' ' ' ARG . 31.1 m-85 -93.59 108.09 19.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.956 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . 0.409 ' CD1' ' N ' ' A' ' 97' ' ' SER . 2.5 t80 -62.07 137.22 58.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.924 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . 0.409 ' N ' ' CD1' ' A' ' 96' ' ' TYR . 30.5 t -40.99 -74.88 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.836 -179.847 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 -106.54 154.63 39.83 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.603 0.716 . . . . 0.0 110.877 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 154.64 67.6 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.68 2.253 . . . . 0.0 112.338 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.698 HD13 HG23 ' A' ' 80' ' ' VAL . 2.6 mp -92.53 127.37 44.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.118 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 16.7 tp -103.01 115.95 31.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.903 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.613 HG13 ' O ' ' A' ' 102' ' ' VAL . 7.2 p -65.97 76.45 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.13 179.797 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 20.3 tptp -139.15 142.21 38.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.89 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.449 ' HG2' ' N ' ' A' ' 105' ' ' SER . 40.5 tt0 -62.56 164.9 6.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.865 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . 0.449 ' N ' ' HG2' ' A' ' 104' ' ' GLU . 33.0 t -124.87 86.94 2.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 -179.84 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -62.16 145.66 49.34 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.508 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 104.89 1.39 Allowed 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.679 2.253 . . . . 0.0 112.305 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 81.6 p -59.3 133.91 56.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.853 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 84.5 p -146.65 148.34 31.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.869 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.461 -179.957 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.366 0 N-CA-C 112.523 -0.231 . . . . 0.0 112.523 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 93.0 p -112.28 153.72 26.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.861 0.363 . . . . 0.0 110.915 -179.804 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.0 t -63.37 141.11 58.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 175.86 -119.31 0.7 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.521 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.7 m -48.46 128.93 15.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.878 0.37 . . . . 0.0 110.887 -179.734 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.4 m -70.43 178.27 3.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.83 -179.754 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -83.77 -21.33 57.98 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.512 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.583 HG22 ' H ' ' A' ' 9' ' ' SER . 0.6 OUTLIER -102.42 173.09 6.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.796 0.331 . . . . 0.0 111.146 -179.89 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.583 ' H ' HG22 ' A' ' 8' ' ' THR . 9.2 t -90.62 142.22 27.75 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.657 0.742 . . . . 0.0 110.92 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 169.72 18.18 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.699 2.266 . . . . 0.0 112.352 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 129.52 17.71 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.666 2.244 . . . . 0.0 112.333 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 57.1 p -110.44 -178.33 3.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.125 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.537 HD12 HH11 ' A' ' 29' ' ' ARG . 29.8 mt 50.31 48.82 21.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.87 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.437 ' C ' HD13 ' A' ' 14' ' ' LEU . 3.2 tm? -83.61 111.53 19.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.461 ' CG2' ' N ' ' A' ' 16' ' ' VAL . 4.7 m -151.87 155.89 39.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.127 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.595 HG21 HG12 ' A' ' 100' ' ' ILE . 21.8 t -71.61 141.41 16.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.126 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -100.64 -45.09 5.62 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.851 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.7 t -153.91 159.1 41.61 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.831 -179.726 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.504 HG13 HG12 ' A' ' 24' ' ' VAL . 90.5 t -147.99 130.58 7.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.139 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.654 HG22 ' H ' ' A' ' 21' ' ' ASP . 0.6 OUTLIER -125.86 176.32 7.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.101 -179.936 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.654 ' H ' HG22 ' A' ' 20' ' ' THR . 35.8 p-10 -82.99 4.78 24.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.873 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.2 p -121.37 -47.56 2.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.136 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.451 HG22 ' HA ' ' A' ' 70' ' ' THR . 44.8 p -145.95 160.63 41.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.127 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.518 ' CG2' HD12 ' A' ' 69' ' ' ILE . 13.3 m -117.53 147.1 21.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.102 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 5.2 m -113.51 147.26 38.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.179 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.414 ' SD ' HG22 ' A' ' 16' ' ' VAL . 91.0 mmm -130.94 159.96 35.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.913 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 8.0 ptm180 -148.75 154.78 40.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.866 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 27.0 p90 -160.38 177.9 10.12 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.943 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.537 HH11 HD12 ' A' ' 13' ' ' LEU . 0.1 OUTLIER -123.33 143.21 40.61 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.642 0.734 . . . . 0.0 110.861 -179.949 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.472 ' N ' ' HG3' ' A' ' 29' ' ' ARG . 53.5 Cg_endo -69.77 165.62 30.36 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.698 2.265 . . . . 0.0 112.315 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 139.03 39.19 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.68 2.253 . . . . 0.0 112.329 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -55.43 -41.92 73.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.858 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 15.2 t60 -113.01 163.97 14.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 16.8 mm -128.64 126.4 65.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.12 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.572 ' H ' HG23 ' A' ' 8' ' ' THR . . . -56.15 149.0 27.74 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.457 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -47.32 -42.29 20.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.76 0.314 . . . . 0.0 111.062 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.39 -37.34 80.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.11 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 113.59 173.62 18.58 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.491 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.585 HD12 ' OD1' ' A' ' 86' ' ' ASN . 9.5 tp -115.1 137.37 52.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.804 0.335 . . . . 0.0 110.924 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -122.99 95.72 4.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.866 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.415 ' C ' ' CG ' ' A' ' 42' ' ' TYR . . . 38.88 -147.42 0.13 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.492 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.415 ' CG ' ' C ' ' A' ' 41' ' ' GLY . 1.1 m-85 -154.62 170.49 21.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.945 0.402 . . . . 0.0 110.895 -179.787 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.411 HG21 HG21 ' A' ' 85' ' ' VAL . 59.7 t -124.62 128.34 73.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.166 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.734 HD23 ' N ' ' A' ' 45' ' ' GLU . 9.5 tt -120.07 158.39 26.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.734 ' N ' HD23 ' A' ' 44' ' ' LEU . 28.4 mt-10 -161.1 173.49 15.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.921 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 21.8 p90 -149.83 137.02 19.7 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.906 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.585 ' HB2' ' CE3' ' A' ' 54' ' ' TRP . 19.2 t -107.65 104.1 13.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.881 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -61.8 141.36 57.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.92 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -51.57 140.26 18.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.899 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 90.35 -49.98 3.26 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.509 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 64.7 p -79.17 120.08 23.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.725 0.298 . . . . 0.0 111.168 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 22.2 tp10 -87.14 26.75 1.13 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.916 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -124.92 119.87 30.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.888 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.585 ' CE3' ' HB2' ' A' ' 47' ' ' CYS . 96.6 m95 -64.26 128.48 35.97 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.893 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 5.2 mp -96.26 123.55 48.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.109 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 92.7 t -67.84 122.47 19.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.121 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -89.17 -51.22 5.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.078 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.484 ' HB3' ' CE1' ' A' ' 67' ' ' PHE . 11.9 p-10 -108.75 125.55 52.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.864 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 11.3 ttpp -73.43 -45.25 55.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.845 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -102.07 156.68 17.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.876 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 13.9 mt -46.49 156.08 0.2 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.948 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.582 HG22 ' H ' ' A' ' 64' ' ' LYS . 52.0 mt -104.78 112.34 38.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.117 179.859 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -91.31 33.79 0.97 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.85 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.582 ' H ' HG22 ' A' ' 62' ' ' ILE . 7.7 mmtp -142.36 150.57 40.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.881 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 2.0 p -81.53 9.57 7.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.122 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 5.2 mtmp? -140.5 167.21 22.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.854 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.484 ' CE1' ' HB3' ' A' ' 58' ' ' ASN . 55.4 t80 -161.75 143.78 11.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.857 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 79.8 m -127.28 123.42 36.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.127 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.518 HD12 ' CG2' ' A' ' 24' ' ' VAL . 17.1 mt -79.89 129.67 37.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.153 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.451 ' HA ' HG22 ' A' ' 23' ' ' THR . 82.6 p -107.07 134.64 49.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.155 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 91.14 62.53 1.22 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.482 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.411 HD23 ' HA ' ' A' ' 72' ' ' LEU . 26.0 mt -127.7 131.52 23.86 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.575 0.703 . . . . 0.0 110.918 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.73 ' O ' HG11 ' A' ' 102' ' ' VAL . 54.1 Cg_endo -69.7 156.23 64.05 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.701 2.268 . . . . 0.0 112.366 179.828 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 71.2 m -79.44 140.97 37.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.202 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 8.8 t70 65.33 48.48 2.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.899 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.555 ' O ' HG12 ' A' ' 102' ' ' VAL . . . -132.51 144.23 50.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.115 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 21.4 mtpt -102.16 135.7 43.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.567 ' C ' HD12 ' A' ' 78' ' ' ILE . 2.5 pp -140.65 154.11 21.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.149 179.871 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.401 ' HB3' ' NH1' ' A' ' 81' ' ' ARG . 64.2 m-85 -98.61 161.54 13.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.876 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.494 ' O ' ' NE ' ' A' ' 81' ' ' ARG . 65.9 t -140.93 116.43 6.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.149 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.516 ' CG ' ' CH2' ' A' ' 54' ' ' TRP . 16.1 mmp_? -121.83 125.55 46.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.847 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 34.1 m -119.0 129.73 74.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.113 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 20.4 pttt -134.09 165.04 25.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.878 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -101.98 124.14 47.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.105 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.411 HG21 HG21 ' A' ' 43' ' ' VAL . 59.4 t -117.33 121.85 68.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.135 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.585 ' OD1' HD12 ' A' ' 39' ' ' LEU . 0.3 OUTLIER -147.15 179.87 7.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 -179.946 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -42.63 -57.35 2.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.102 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -43.48 -51.12 6.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.115 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 162.84 -125.5 1.41 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.493 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -141.7 151.14 42.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.778 0.323 . . . . 0.0 111.155 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 21.6 m -101.12 154.9 18.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.863 -179.77 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -51.69 148.41 9.92 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.611 0.72 . . . . 0.0 110.919 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 134.11 27.04 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.685 2.257 . . . . 0.0 112.295 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 9.1 tmtt? -90.52 108.87 20.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.922 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . 0.48 ' HA ' ' NE ' ' A' ' 81' ' ' ARG . 74.7 m-85 -82.16 105.96 13.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.915 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . 0.596 ' CD2' ' O ' ' A' ' 98' ' ' GLN . 9.7 t80 -51.7 152.12 3.0 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.951 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 12.5 m -52.84 -69.9 0.1 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.844 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . 0.596 ' O ' ' CD2' ' A' ' 96' ' ' TYR . 10.2 mm100 -117.56 151.43 48.29 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.574 0.702 . . . . 0.0 110.931 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 162.11 43.31 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.708 2.272 . . . . 0.0 112.342 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.595 HG12 HG21 ' A' ' 16' ' ' VAL . 12.1 mt -101.56 147.79 8.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.111 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.485 ' O ' ' N ' ' A' ' 103' ' ' LYS . 25.8 tp -121.8 99.69 6.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.73 HG11 ' O ' ' A' ' 73' ' ' PRO . 7.3 p -49.18 87.77 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.11 179.841 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 0.485 ' N ' ' O ' ' A' ' 101' ' ' LEU . 20.6 tptm -144.32 147.68 33.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.911 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -80.89 159.9 24.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.864 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 4.8 m -106.53 66.32 0.69 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.851 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 166.29 74.38 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.508 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -6.9 19.73 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.687 2.258 . . . . 0.0 112.311 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 2.9 t -65.71 113.01 3.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.905 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 12.1 t -127.73 151.94 48.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.886 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.502 -179.961 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.2 p -170.69 153.8 4.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.901 0.381 . . . . 0.0 110.841 -179.736 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.9 t -96.06 -56.91 2.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.862 -179.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 121.77 -81.4 0.34 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.471 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.9 t -170.93 126.16 0.69 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.917 0.389 . . . . 0.0 110.913 -179.737 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 93.6 p -66.63 -11.34 53.23 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.881 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.42 -51.81 2.4 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.484 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.572 HG23 ' HA ' ' A' ' 34' ' ' ILE . 5.8 m -87.73 161.2 17.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.759 0.314 . . . . 0.0 111.179 -179.886 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.437 ' N ' HG22 ' A' ' 8' ' ' THR . 2.2 m -88.32 149.88 45.72 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.627 0.727 . . . . 0.0 110.898 -179.845 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.75 168.49 21.4 Favored 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.704 2.269 . . . . 0.0 112.358 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 133.36 25.33 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.696 2.264 . . . . 0.0 112.33 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 66.4 p -122.14 174.38 6.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.106 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 12.8 mt 54.38 49.81 17.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.95 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.589 HD12 ' HD1' ' A' ' 96' ' ' TYR . 3.1 tm? -82.22 126.29 31.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.933 179.836 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.474 ' CG2' ' N ' ' A' ' 16' ' ' VAL . 4.5 m -149.92 156.93 42.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.155 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.793 HG22 ' SD ' ' A' ' 26' ' ' MET . 10.5 t -81.28 108.78 14.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.165 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -57.57 -48.46 79.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.905 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.5 t -157.34 174.65 15.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.519 HG12 ' O ' ' A' ' 103' ' ' LYS . 76.0 t -150.74 132.28 5.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.119 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.48 ' O ' ' N ' ' A' ' 22' ' ' THR . 2.9 m -140.28 132.15 27.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.147 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 16.5 p30 -39.55 -25.79 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.885 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.48 ' N ' ' O ' ' A' ' 20' ' ' THR . 72.8 p -83.0 -49.71 9.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.179 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 39.1 p -151.95 169.48 22.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.14 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.548 ' O ' HG23 ' A' ' 68' ' ' THR . 33.8 m -119.75 151.45 22.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.146 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.9 m -118.99 124.88 48.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.166 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.793 ' SD ' HG22 ' A' ' 16' ' ' VAL . 95.8 mmm -123.45 134.72 53.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.907 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.492 ' O ' HD22 ' A' ' 14' ' ' LEU . 25.1 ptt180 -126.38 161.06 28.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.867 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.525 ' CD2' ' O ' ' A' ' 65' ' ' THR . 40.1 p90 -145.36 177.25 8.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.931 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 8.2 mmm180 -117.77 151.25 48.36 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.616 0.722 . . . . 0.0 110.851 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 153.13 69.15 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.697 2.265 . . . . 0.0 112.301 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 138.46 37.77 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.679 2.253 . . . . 0.0 112.356 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 15.5 t0 -53.02 -41.62 64.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.853 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.403 ' ND1' ' N ' ' A' ' 34' ' ' ILE . 63.9 t-80 -111.89 157.55 20.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.849 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.572 ' HA ' HG23 ' A' ' 8' ' ' THR . 25.6 mm -125.51 94.93 2.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.15 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -41.3 144.87 0.63 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.484 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -38.74 -57.76 1.16 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.789 0.328 . . . . 0.0 111.116 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -38.5 -43.8 0.88 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.07 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 98.83 125.84 5.46 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.476 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.446 HD21 ' CZ ' ' A' ' 42' ' ' TYR . 5.1 tp -76.6 124.46 27.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.863 0.363 . . . . 0.0 110.915 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.428 ' OD1' ' N ' ' A' ' 40' ' ' ASP . 0.2 OUTLIER -111.76 95.28 5.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 179.841 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.658 ' HA3' HD13 ' A' ' 61' ' ' LEU . . . 58.83 -145.27 43.48 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.481 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.633 ' CD1' ' C ' ' A' ' 41' ' ' GLY . 3.9 m-85 -156.63 -175.09 5.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.92 0.39 . . . . 0.0 110.93 -179.794 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 94.7 t -140.69 135.65 34.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.13 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.547 HD12 ' CG1' ' A' ' 82' ' ' VAL . 5.6 tp -110.09 153.99 23.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.935 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -157.17 142.47 17.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.915 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 8.6 p90 -142.0 136.02 29.87 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.969 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.545 ' HB2' ' CD2' ' A' ' 54' ' ' TRP . 1.5 t -108.96 115.42 30.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.895 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -62.8 164.36 8.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.892 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -72.64 -51.71 18.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.893 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.426 ' O ' ' CG2' ' A' ' 51' ' ' THR . . . -79.03 46.04 2.88 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.481 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.426 ' CG2' ' O ' ' A' ' 50' ' ' GLY . 72.3 p -158.43 164.99 35.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.81 0.338 . . . . 0.0 111.12 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -122.77 15.13 10.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.937 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 41.1 m-20 -125.65 155.26 41.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.854 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.545 ' CD2' ' HB2' ' A' ' 47' ' ' CYS . 75.6 m95 -100.65 110.66 22.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.945 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 12.0 mt -76.48 137.37 22.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.129 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.58 HG12 ' O ' ' A' ' 58' ' ' ASN . 92.8 t -89.27 119.9 37.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.134 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.504 ' CB ' HD23 ' A' ' 44' ' ' LEU . . . -74.42 -57.98 3.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.057 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.58 ' O ' HG12 ' A' ' 56' ' ' VAL . 47.0 t30 -74.22 171.19 14.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 -179.868 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 24.1 tptt -113.96 -67.72 0.98 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -102.13 -73.03 0.67 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.813 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.658 HD13 ' HA3' ' A' ' 41' ' ' GLY . 0.7 OUTLIER -152.81 135.68 15.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.92 -179.943 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.438 HD11 ' HB2' ' A' ' 58' ' ' ASN . 8.7 mt -87.34 107.15 16.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.125 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -53.91 -41.45 67.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.839 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 27.2 mtmt -81.02 162.12 23.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.923 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.525 ' O ' ' CD2' ' A' ' 28' ' ' TRP . 11.0 p -87.27 16.92 4.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.169 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.479 ' HA ' ' CZ3' ' A' ' 28' ' ' TRP . 4.6 ptpp? -144.72 -177.77 5.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.892 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.574 ' CD1' ' N ' ' A' ' 68' ' ' THR . 12.0 t80 -165.52 153.04 10.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.877 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.574 ' N ' ' CD1' ' A' ' 67' ' ' PHE . 85.9 m -129.23 118.05 21.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.143 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.486 ' HB ' HD11 ' A' ' 72' ' ' LEU . 18.2 mt -73.5 109.33 5.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.127 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 30.4 p -85.35 133.63 34.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.138 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 86.34 77.27 1.23 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.468 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.486 HD11 ' HB ' ' A' ' 69' ' ' ILE . 30.9 mt -136.4 133.34 19.26 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.633 0.73 . . . . 0.0 110.856 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.42 ' HG2' ' CB ' ' A' ' 76' ' ' ALA . 53.7 Cg_endo -69.84 131.37 21.0 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.685 2.257 . . . . 0.0 112.287 179.867 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 25.6 m -60.39 138.47 57.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.098 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 22.3 t70 68.57 42.8 1.45 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.46 ' O ' HG12 ' A' ' 102' ' ' VAL . . . -122.11 139.51 53.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.104 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 50.7 mttt -99.03 127.54 44.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 8.0 pt -138.78 163.34 27.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.132 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 67.9 m-85 -101.3 162.33 12.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.834 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 90.1 t -144.81 127.8 11.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.147 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.554 ' CD ' ' CE1' ' A' ' 95' ' ' TYR . 4.7 mtm105 -144.23 131.36 20.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.547 ' CG1' HD12 ' A' ' 44' ' ' LEU . 3.4 m -119.67 149.37 22.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.159 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.52 ' HD2' HG23 ' A' ' 85' ' ' VAL . 0.1 OUTLIER -150.57 154.6 37.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.925 179.888 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -81.35 138.29 35.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.144 179.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.52 HG23 ' HD2' ' A' ' 83' ' ' LYS . 96.3 t -136.1 126.8 42.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.175 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -145.22 -179.89 6.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -44.95 -50.3 10.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.087 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -51.63 -55.49 19.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.098 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 173.36 -138.02 4.4 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.482 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -128.87 170.83 12.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.84 0.352 . . . . 0.0 111.101 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 58.3 p -112.95 169.33 9.0 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.858 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -61.58 143.32 93.7 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.592 0.711 . . . . 0.0 110.913 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.415 ' HB2' ' NH1' ' A' ' 81' ' ' ARG . 53.7 Cg_endo -69.77 145.66 57.79 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.71 2.273 . . . . 0.0 112.288 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 6.7 tmtm? -106.99 123.88 48.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.915 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . 0.554 ' CE1' ' CD ' ' A' ' 81' ' ' ARG . 6.9 m-85 -104.12 114.59 28.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.865 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . 0.589 ' HD1' HD12 ' A' ' 14' ' ' LEU . 27.3 t80 -60.38 171.14 1.13 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.962 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . 0.454 ' N ' ' CD2' ' A' ' 96' ' ' TYR . 64.9 m -73.42 -73.57 0.21 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.842 -179.841 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -102.65 149.58 36.88 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.58 0.705 . . . . 0.0 110.943 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 137.34 35.29 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.689 2.259 . . . . 0.0 112.328 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.67 ' H ' HD12 ' A' ' 100' ' ' ILE . 3.8 mp -79.7 131.67 33.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.141 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 11.5 tp -109.95 104.02 12.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.878 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.519 HG13 ' O ' ' A' ' 102' ' ' VAL . 3.6 p -53.62 94.79 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.102 179.839 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 0.519 ' O ' HG12 ' A' ' 19' ' ' VAL . 31.8 tptt -144.99 148.4 33.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.526 ' CD ' ' N ' ' A' ' 105' ' ' SER . 16.6 tm-20 -91.87 164.21 13.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.964 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . 0.526 ' N ' ' CD ' ' A' ' 104' ' ' GLU . 4.4 m -118.95 79.38 1.39 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.881 -179.803 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . 0.491 ' N ' ' OE1' ' A' ' 104' ' ' GLU . . . -116.19 84.09 0.36 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.511 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -34.94 13.61 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.69 2.26 . . . . 0.0 112.329 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 83.8 p -155.01 123.02 5.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.916 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 8.1 t -82.69 125.72 31.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.827 -179.793 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.531 179.98 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.2 t -73.77 -51.56 16.05 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.871 0.367 . . . . 0.0 110.855 -179.73 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 70.4 m -115.25 154.42 29.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.91 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -153.05 66.43 0.33 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.51 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 83.8 p -140.43 120.53 13.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.874 0.369 . . . . 0.0 110.88 -179.761 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.7 t -134.96 161.51 35.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.803 -179.788 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -77.95 -37.29 29.77 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.443 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.47 HG23 ' HA ' ' A' ' 34' ' ' ILE . 1.6 m -86.37 164.19 17.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.816 0.341 . . . . 0.0 111.125 -179.831 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.406 ' H ' HG22 ' A' ' 8' ' ' THR . 39.9 m -93.22 149.45 37.45 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.661 0.743 . . . . 0.0 110.858 -179.82 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 169.9 17.82 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.731 2.287 . . . . 0.0 112.364 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 130.29 19.05 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.689 2.26 . . . . 0.0 112.338 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 79.6 p -110.96 -175.33 2.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.099 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 29.9 mt 47.3 48.96 15.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.916 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.462 ' CD1' ' CD2' ' A' ' 96' ' ' TYR . 2.4 tm? -81.75 110.53 17.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.916 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.5 t -145.44 158.06 43.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.109 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.787 HG22 ' SD ' ' A' ' 26' ' ' MET . 4.6 t -89.09 120.07 37.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.146 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -77.45 -60.18 2.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.865 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.426 ' O ' HG23 ' A' ' 19' ' ' VAL . 2.2 t -126.76 166.54 17.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.857 -179.74 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.426 HG23 ' O ' ' A' ' 18' ' ' SER . 53.0 t -157.14 120.55 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.172 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.509 ' O ' HG23 ' A' ' 102' ' ' VAL . 0.8 OUTLIER -120.96 152.11 38.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.145 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -60.25 -10.78 5.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.845 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -105.52 -48.77 3.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.175 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.908 HG22 ' HA ' ' A' ' 70' ' ' THR . 58.1 p -135.09 163.11 30.64 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.165 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.497 ' CG2' HD12 ' A' ' 69' ' ' ILE . 4.6 m -130.18 130.89 65.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.144 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 37.9 m -102.01 144.95 29.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.134 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.787 ' SD ' HG22 ' A' ' 16' ' ' VAL . 77.8 mmm -132.06 134.47 45.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.864 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 9.5 ptt180 -115.4 151.35 34.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.88 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.477 ' CD2' ' O ' ' A' ' 65' ' ' THR . 11.7 p90 -159.1 167.56 28.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.899 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.478 ' HG3' ' N ' ' A' ' 30' ' ' PRO . 0.7 OUTLIER -119.77 143.2 34.52 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.553 0.692 . . . . 0.0 110.899 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.478 ' N ' ' HG3' ' A' ' 29' ' ' ARG . 53.5 Cg_endo -69.81 168.9 20.3 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.663 2.242 . . . . 0.0 112.33 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.488 ' HG2' HD13 ' A' ' 34' ' ' ILE . 54.1 Cg_endo -69.71 136.65 33.66 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.71 2.273 . . . . 0.0 112.355 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -40.88 -44.56 2.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.874 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 5.2 t-80 -125.14 162.16 25.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.856 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.488 HD13 ' HG2' ' A' ' 31' ' ' PRO . 3.2 mm -123.52 102.99 12.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.111 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.424 ' C ' ' O ' ' A' ' 34' ' ' ILE . . . -36.02 143.89 0.11 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.496 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.417 ' C ' ' O ' ' A' ' 35' ' ' GLY . . . -36.75 -47.98 0.7 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.735 0.303 . . . . 0.0 111.11 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.75 ' HB1' ' HB3' ' A' ' 87' ' ' ALA . . . -42.67 -48.56 5.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.12 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 115.42 160.94 12.84 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.518 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.472 ' HB2' HG23 ' A' ' 34' ' ' ILE . 4.6 tp -106.63 127.55 53.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.819 0.343 . . . . 0.0 110.918 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.486 ' O ' HD22 ' A' ' 61' ' ' LEU . 0.2 OUTLIER -121.77 94.85 4.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.844 179.852 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 46.41 -160.7 0.23 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.495 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.432 ' CD1' ' N ' ' A' ' 42' ' ' TYR . 0.3 OUTLIER -148.71 163.76 36.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.936 0.398 . . . . 0.0 110.918 -179.783 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 98.9 t -107.99 136.76 42.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.154 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.9 tt -134.56 129.31 34.84 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.945 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -137.21 148.43 46.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 6.4 p90 -127.11 141.79 51.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.955 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 19.9 t -111.83 103.22 11.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.909 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -60.06 152.91 22.9 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -64.54 136.39 56.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 94.8 -35.41 4.25 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.528 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 50.3 p -88.65 123.02 32.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.718 0.294 . . . . 0.0 111.173 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.6 mp0 -89.02 29.71 1.02 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.894 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -130.64 132.68 45.59 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.822 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.589 ' CH2' ' HG2' ' A' ' 81' ' ' ARG . 83.5 m95 -79.99 117.54 20.92 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 16.8 mt -88.25 131.51 35.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.122 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 84.8 t -79.15 124.42 37.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.138 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -86.17 -60.53 1.98 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.087 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 13.1 p-10 -70.38 143.25 51.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.847 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -72.47 -60.77 2.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.915 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -115.92 -73.57 0.64 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.858 179.84 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.486 HD22 ' O ' ' A' ' 40' ' ' ASP . 7.3 mt -142.8 154.4 44.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.908 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.549 HG22 ' O ' ' A' ' 64' ' ' LYS . 14.7 mt -99.59 110.68 27.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.147 179.806 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -64.41 -60.02 3.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.842 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.549 ' O ' HG22 ' A' ' 62' ' ' ILE . 66.2 mttt -75.27 157.49 34.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.477 ' O ' ' CD2' ' A' ' 28' ' ' TRP . 29.8 p -81.74 7.06 13.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.132 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -121.56 143.18 49.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.938 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 25.1 t80 -138.15 145.6 41.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.893 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 91.9 m -133.57 127.66 33.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.203 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.497 HD12 ' CG2' ' A' ' 24' ' ' VAL . 10.7 mt -93.25 128.28 44.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.154 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.908 ' HA ' HG22 ' A' ' 23' ' ' THR . 25.5 p -104.5 140.01 38.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.155 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 86.06 63.7 1.51 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.46 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 61.3 mt -125.12 128.78 24.72 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.65 0.738 . . . . 0.0 110.913 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 128.54 16.22 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.737 2.291 . . . . 0.0 112.376 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.424 HG22 ' N ' ' A' ' 75' ' ' ASP . 22.7 m -54.55 155.87 3.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.147 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.424 ' N ' HG22 ' A' ' 74' ' ' THR . 0.9 OUTLIER 54.74 35.28 23.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 179.934 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.652 ' O ' HG12 ' A' ' 102' ' ' VAL . . . -114.8 130.67 56.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.087 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.471 ' HG2' HD13 ' A' ' 101' ' ' LEU . 40.6 mttm -95.99 121.89 38.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.927 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.579 ' C ' HD12 ' A' ' 78' ' ' ILE . 2.1 pp -134.89 157.16 40.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.192 179.837 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.4 ' HB3' ' NH1' ' A' ' 81' ' ' ARG . 94.2 m-85 -101.92 160.74 14.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.84 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.45 ' O ' ' NE ' ' A' ' 81' ' ' ARG . 79.7 t -141.63 115.97 5.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.17 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.589 ' HG2' ' CH2' ' A' ' 54' ' ' TRP . 15.5 mmp_? -118.68 136.8 53.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.854 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 7.9 m -128.8 134.61 64.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.1 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.434 ' NZ ' ' O ' ' A' ' 91' ' ' SER . 0.0 OUTLIER -132.99 174.25 10.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.895 179.902 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -110.58 142.26 42.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.076 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 18.1 t -139.04 123.64 20.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.143 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.541 ' OD1' ' HB3' ' A' ' 88' ' ' ALA . 2.1 p30 -147.97 170.04 18.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.939 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.75 ' HB3' ' HB1' ' A' ' 37' ' ' ALA . . . -36.33 -41.73 0.29 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.065 179.87 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.541 ' HB3' ' OD1' ' A' ' 86' ' ' ASN . . . -56.69 -62.06 2.0 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.105 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 178.32 -132.87 2.01 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.455 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -135.81 150.11 49.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.754 0.312 . . . . 0.0 111.066 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.434 ' O ' ' NZ ' ' A' ' 83' ' ' LYS . 12.7 t -108.14 162.54 13.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.84 -179.799 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -65.7 141.38 97.76 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.61 0.719 . . . . 0.0 110.893 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 145.08 55.99 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.691 2.261 . . . . 0.0 112.313 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 8.3 tmtt? -86.59 119.78 27.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.905 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . 0.474 ' HA ' ' NE ' ' A' ' 81' ' ' ARG . 47.0 m-85 -90.55 109.49 20.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.949 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . 0.536 ' CE2' HG23 ' A' ' 16' ' ' VAL . 0.9 OUTLIER -61.15 123.24 17.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.912 -179.915 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . 0.438 ' C ' ' O ' ' A' ' 96' ' ' TYR . 57.7 p -34.9 -70.18 0.09 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.89 -179.873 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -106.14 156.15 37.3 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.621 0.724 . . . . 0.0 110.874 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 166.75 26.55 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.716 2.277 . . . . 0.0 112.346 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.409 HG12 HG21 ' A' ' 16' ' ' VAL . 6.3 mt -112.31 122.67 66.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.12 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.471 HD13 ' HG2' ' A' ' 77' ' ' LYS . 14.7 tp -98.23 108.81 21.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.957 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.652 HG12 ' O ' ' A' ' 76' ' ' ALA . 0.9 OUTLIER -61.24 92.16 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.148 179.849 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 0.412 ' O ' HG12 ' A' ' 19' ' ' VAL . 23.8 tptp -138.98 152.04 47.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.913 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -90.2 156.27 18.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.892 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 90.7 p -113.11 43.43 1.71 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 -179.771 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -124.05 87.05 0.38 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.515 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -23.78 30.36 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.668 2.246 . . . . 0.0 112.307 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 9.3 t -89.42 124.84 34.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.86 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 4.3 m -89.64 148.19 23.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.812 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.473 -179.996 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 56.9 p -158.95 160.03 35.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.906 0.384 . . . . 0.0 110.836 -179.693 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.0 t -106.65 119.62 39.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.84 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 132.49 138.5 4.12 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.479 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.1 m -103.93 155.51 18.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.863 0.363 . . . . 0.0 110.884 -179.755 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 91.3 p -60.05 152.67 23.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.888 -179.821 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -83.0 -42.07 8.3 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.485 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.462 HG22 ' N ' ' A' ' 9' ' ' SER . 20.9 m -95.27 158.61 15.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.805 0.336 . . . . 0.0 111.185 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.462 ' N ' HG22 ' A' ' 8' ' ' THR . 1.3 t -79.29 149.38 72.42 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.651 0.738 . . . . 0.0 110.881 -179.862 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 169.32 19.25 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.656 2.237 . . . . 0.0 112.37 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 119.67 6.58 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.642 2.228 . . . . 0.0 112.336 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 66.1 p -110.01 -176.67 3.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.144 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 47.0 mt 50.16 50.26 18.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.967 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -89.31 110.5 21.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.917 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.7 t -139.77 154.81 47.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.104 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.541 HG11 HG23 ' A' ' 19' ' ' VAL . 17.5 t -75.23 116.03 17.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.123 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -69.62 -59.38 3.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 48.2 m -154.83 132.86 11.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.831 -179.738 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.541 HG23 HG11 ' A' ' 16' ' ' VAL . 40.6 t -110.02 128.45 66.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.082 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -125.4 144.3 50.58 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.143 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -54.32 -21.38 9.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.909 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 20.9 p -92.2 -51.48 5.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.154 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 81.3 p -144.4 161.91 37.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.137 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.751 ' O ' HG23 ' A' ' 68' ' ' THR . 35.0 m -108.97 151.12 11.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.118 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 17.6 m -126.22 121.78 33.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.155 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 98.6 mmm -111.32 168.52 9.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.863 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 1.6 ptp180 -149.44 150.0 31.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.826 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 21.8 p90 -158.41 158.7 34.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.888 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 23.6 mtt-85 -114.63 158.4 40.35 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.631 0.729 . . . . 0.0 110.889 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 163.98 36.23 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.657 2.238 . . . . 0.0 112.366 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.419 ' O ' ' C ' ' A' ' 32' ' ' ASP . 53.5 Cg_endo -69.75 146.9 61.65 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.745 2.297 . . . . 0.0 112.333 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.419 ' C ' ' O ' ' A' ' 31' ' ' PRO . 5.0 t70 -35.42 -44.38 0.29 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.919 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 23.1 p-80 -148.93 167.25 26.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.847 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 15.3 mm -106.61 129.92 59.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.141 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -62.75 158.5 36.67 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.451 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -49.69 -44.18 47.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.793 0.33 . . . . 0.0 111.095 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.743 ' HB1' ' HB3' ' A' ' 87' ' ' ALA . . . -54.16 -36.06 62.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.128 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 113.63 -171.42 13.82 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.481 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.509 HD12 ' OD1' ' A' ' 86' ' ' ASN . 9.3 tp -133.64 130.99 39.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.825 0.345 . . . . 0.0 110.9 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.49 ' O ' HD22 ' A' ' 61' ' ' LEU . 11.6 m-20 -115.77 94.42 4.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.861 179.856 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.447 ' C ' ' O ' ' A' ' 40' ' ' ASP . . . 34.02 -147.7 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.511 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.551 ' O ' HD23 ' A' ' 61' ' ' LEU . 6.0 m-85 -148.4 -176.37 5.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.941 0.401 . . . . 0.0 110.945 -179.82 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 61.0 t -138.83 141.41 36.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.168 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.561 HD12 ' CG1' ' A' ' 82' ' ' VAL . 5.8 tp -126.62 139.09 53.44 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.91 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.471 ' OE1' ' N ' ' A' ' 45' ' ' GLU . 2.4 mp0 -145.91 135.87 23.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.856 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 21.2 p90 -124.72 137.41 54.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.925 -179.814 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.539 ' HB2' ' CD2' ' A' ' 54' ' ' TRP . 11.0 t -105.38 116.6 32.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.885 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -66.06 173.25 3.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.3 pp20? -95.44 13.5 25.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -124.32 -3.97 7.82 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.507 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 20.2 p -133.04 141.58 48.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.766 0.317 . . . . 0.0 111.141 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 57.5 mm-40 -88.96 28.34 1.19 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.869 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 33.1 m-20 -136.69 149.39 47.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.856 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.562 ' CZ3' ' HG2' ' A' ' 81' ' ' ARG . 92.1 m95 -84.56 132.31 34.53 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.947 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 5.2 mp -96.29 135.43 30.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.106 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 85.5 t -84.48 131.94 32.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.092 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -96.64 -58.29 2.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.064 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 18.5 p-10 -62.19 130.18 44.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.8 mppt? -61.86 -46.4 89.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.888 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -133.29 -67.73 0.61 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.846 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.551 HD23 ' O ' ' A' ' 42' ' ' TYR . 6.8 mt -149.39 143.27 25.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.884 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 7.4 mt -89.91 121.08 39.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.152 179.813 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -82.32 -56.05 4.14 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.886 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.2 mppt? -62.39 173.21 1.26 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.842 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 3.9 p -97.94 15.57 23.56 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.137 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 36.2 mttp -140.78 166.81 23.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.921 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.535 ' CD1' HD22 ' A' ' 44' ' ' LEU . 24.0 t80 -165.46 138.27 4.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.824 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.751 HG23 ' O ' ' A' ' 24' ' ' VAL . 91.4 m -120.61 120.17 35.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.104 -179.887 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.461 HD12 ' CG2' ' A' ' 24' ' ' VAL . 31.4 mt -72.1 114.24 10.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.079 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 40.0 p -91.78 130.01 37.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.184 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 97.33 72.17 1.08 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.5 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 81.1 mt -137.1 123.34 13.41 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.58 0.705 . . . . 0.0 110.899 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.468 ' O ' HG11 ' A' ' 102' ' ' VAL . 54.0 Cg_endo -69.7 133.24 25.19 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.692 2.262 . . . . 0.0 112.343 179.844 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 91.5 m -56.11 145.57 25.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.19 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 21.4 t0 65.46 36.29 6.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.885 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.459 ' O ' HD12 ' A' ' 101' ' ' LEU . . . -118.49 146.57 44.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.088 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 76.7 mttt -105.14 136.59 44.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.851 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 8.2 pt -146.87 151.6 13.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.127 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 81.3 m-85 -102.34 144.34 30.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 70.8 t -117.16 142.7 29.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.124 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.562 ' HG2' ' CZ3' ' A' ' 54' ' ' TRP . 0.2 OUTLIER -154.26 149.36 26.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.877 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.561 ' CG1' HD12 ' A' ' 44' ' ' LEU . 11.2 m -141.7 154.48 19.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.12 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.533 ' HZ1' ' HB1' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -149.23 158.77 44.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.877 179.93 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -98.58 128.55 44.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.052 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 91.5 t -117.24 117.73 56.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.117 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.509 ' OD1' HD12 ' A' ' 39' ' ' LEU . 0.1 OUTLIER -138.81 164.46 29.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.863 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.743 ' HB3' ' HB1' ' A' ' 37' ' ' ALA . . . -37.74 -52.59 1.27 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.126 179.879 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -40.53 -44.92 2.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.143 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 159.03 -106.31 0.28 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.516 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.533 ' HB1' ' HZ1' ' A' ' 83' ' ' LYS . . . -152.56 154.09 34.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.814 0.34 . . . . 0.0 111.038 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.1 m -102.34 166.77 10.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.856 -179.778 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -62.1 152.46 77.84 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.633 0.73 . . . . 0.0 110.889 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.528 ' HB2' ' CZ ' ' A' ' 95' ' ' TYR . 54.0 Cg_endo -69.77 150.18 67.81 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.649 2.233 . . . . 0.0 112.35 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 12.2 tptm -122.62 127.9 49.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . 0.528 ' CZ ' ' HB2' ' A' ' 93' ' ' PRO . 12.4 m-85 -127.11 136.89 52.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.922 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 19.5 t80 -70.04 175.51 4.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.942 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 12.3 m -71.05 -68.36 0.44 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.88 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 51.0 mt-30 -107.22 155.62 39.05 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.568 0.699 . . . . 0.0 110.951 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 146.98 61.66 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.717 2.278 . . . . 0.0 112.327 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.679 ' N ' HD12 ' A' ' 100' ' ' ILE . 2.9 mp -91.89 127.68 44.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.136 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.459 HD12 ' O ' ' A' ' 76' ' ' ALA . 9.5 tp -102.99 115.67 31.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.928 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.675 HG13 ' O ' ' A' ' 102' ' ' VAL . 8.1 p -60.37 89.65 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.153 179.867 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 0.432 ' O ' HG12 ' A' ' 19' ' ' VAL . 20.5 tptp -139.12 151.62 46.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.915 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 6.5 tm-20 -90.02 154.73 19.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 72.0 m -111.4 96.4 6.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.843 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -124.42 84.78 0.36 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.487 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 129.76 18.16 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.699 2.266 . . . . 0.0 112.336 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 75.5 p -117.9 159.23 23.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.836 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 93.6 p -41.76 152.65 0.07 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.847 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.507 179.997 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.7 p -113.4 -50.82 2.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.868 0.366 . . . . 0.0 110.853 -179.74 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.2 t -90.95 95.82 10.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.84 -179.798 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -84.24 95.66 1.93 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.496 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.1 m -103.77 -43.89 5.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.87 0.367 . . . . 0.0 110.853 -179.74 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.3 t -53.8 100.48 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.865 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.497 ' H ' ' HB2' ' A' ' 36' ' ' ALA . . . -77.04 11.15 16.43 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.477 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -101.96 149.03 24.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.83 0.347 . . . . 0.0 111.158 -179.856 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.8 p -85.34 148.78 50.65 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.703 0.763 . . . . 0.0 110.851 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.68 168.06 22.54 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.696 2.264 . . . . 0.0 112.366 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.44 ' HG2' HG23 ' A' ' 82' ' ' VAL . 54.1 Cg_endo -69.77 120.95 7.65 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.711 2.274 . . . . 0.0 112.35 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 43.2 p -100.66 173.27 6.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.15 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 50.5 mt 56.31 52.7 9.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.925 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.429 ' C ' HD13 ' A' ' 14' ' ' LEU . 3.0 tm? -88.31 114.96 25.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.92 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 9.4 m -155.25 146.91 23.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.185 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.951 HG22 ' SD ' ' A' ' 26' ' ' MET . 97.6 t -68.59 114.4 5.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.154 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 44.0 t0 -65.27 -49.9 67.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 72.6 m -144.64 166.25 25.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.909 -179.779 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.593 ' CG2' HG11 ' A' ' 16' ' ' VAL . 92.7 t -148.25 123.38 2.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.158 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.461 ' O ' ' N ' ' A' ' 22' ' ' THR . 7.7 m -131.0 133.13 45.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.155 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -40.43 -25.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.861 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.461 ' N ' ' O ' ' A' ' 20' ' ' THR . 27.4 p -86.91 -57.91 2.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.122 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 61.8 p -137.2 168.84 18.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.2 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.63 ' CG2' HD12 ' A' ' 69' ' ' ILE . 33.0 m -123.44 147.34 27.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.146 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 4.3 m -112.87 124.14 51.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.137 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.951 ' SD ' HG22 ' A' ' 16' ' ' VAL . 69.8 mmm -111.69 154.28 25.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.844 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 5.8 ptm180 -148.13 147.17 29.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.837 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 40.9 p90 -147.94 170.12 18.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.966 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.497 ' CD ' ' HD2' ' A' ' 30' ' ' PRO . 4.5 tpt180 -116.0 140.25 26.05 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.596 0.713 . . . . 0.0 110.871 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.497 ' HD2' ' CD ' ' A' ' 29' ' ' ARG . 53.8 Cg_endo -69.85 169.94 17.86 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.661 2.241 . . . . 0.0 112.337 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.428 ' HG2' HD11 ' A' ' 34' ' ' ILE . 53.9 Cg_endo -69.69 152.06 69.61 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.701 2.267 . . . . 0.0 112.383 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.4 ' OD2' ' CD2' ' A' ' 33' ' ' HIS . 7.6 t70 -62.49 -40.38 96.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.856 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.4 ' CD2' ' OD2' ' A' ' 32' ' ' ASP . 59.8 m-70 -131.03 167.77 18.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.912 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.428 HD11 ' HG2' ' A' ' 31' ' ' PRO . 4.0 mm -134.92 144.83 33.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.14 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.419 ' O ' ' N ' ' A' ' 37' ' ' ALA . . . -161.77 -58.88 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.465 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.637 ' HB1' ' HB3' ' A' ' 88' ' ' ALA . . . -46.42 93.3 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.781 0.324 . . . . 0.0 111.111 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.651 ' CB ' ' HB3' ' A' ' 87' ' ' ALA . . . 35.7 35.31 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.071 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.416 ' N ' ' O ' ' A' ' 36' ' ' ALA . . . 59.8 152.59 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.476 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.714 HD21 ' CZ ' ' A' ' 42' ' ' TYR . 8.2 tp -80.24 132.38 35.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.832 0.348 . . . . 0.0 110.935 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -118.29 95.9 5.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.834 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 48.69 -162.04 0.52 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.483 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.714 ' CZ ' HD21 ' A' ' 39' ' ' LEU . 20.8 m-85 -143.0 175.33 9.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.919 0.39 . . . . 0.0 110.943 -179.78 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.403 ' O ' ' NH2' ' A' ' 81' ' ' ARG . 55.0 t -135.86 125.95 41.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.106 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.422 HD23 ' N ' ' A' ' 45' ' ' GLU . 10.1 tt -122.75 143.91 49.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.906 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.422 ' N ' HD23 ' A' ' 44' ' ' LEU . 17.9 mt-10 -142.35 170.44 15.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.402 ' CE1' ' HB ' ' A' ' 55' ' ' ILE . 6.9 p90 -147.78 131.42 16.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.86 -179.849 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.518 ' HB2' ' CD2' ' A' ' 54' ' ' TRP . 9.3 t -103.5 111.46 23.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.863 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -75.69 135.73 40.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.888 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -59.94 120.3 9.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.873 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 100.88 33.57 4.95 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.511 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 74.8 p -126.94 173.21 9.8 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.756 0.312 . . . . 0.0 111.154 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -95.75 -38.1 10.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.879 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -139.74 154.24 47.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.518 ' CD2' ' HB2' ' A' ' 47' ' ' CYS . 21.0 m95 -51.78 178.22 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.402 ' HB ' ' CE1' ' A' ' 46' ' ' TYR . 19.0 mt -130.85 119.59 45.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.098 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.414 HG12 ' O ' ' A' ' 58' ' ' ASN . 77.9 t -65.92 119.41 10.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.136 179.851 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -87.61 -54.08 4.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.105 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.414 ' O ' HG12 ' A' ' 56' ' ' VAL . 31.0 p-10 -76.21 158.51 31.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.884 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 71.4 mttt -76.84 -73.33 0.29 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.858 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -110.1 -66.75 1.04 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.861 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 21.6 mt -149.59 151.23 33.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.856 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.411 HG22 ' O ' ' A' ' 64' ' ' LYS . 15.9 mt -98.31 108.31 21.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.103 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -61.06 -51.87 67.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.411 ' O ' HG22 ' A' ' 62' ' ' ILE . 46.4 mtmt -74.44 168.84 18.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.902 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 76.0 p -91.4 10.08 29.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.14 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 25.5 mtpt -125.39 156.52 38.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.912 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 32.3 t80 -150.57 156.86 42.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.896 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 97.1 m -137.16 117.89 14.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.154 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.63 HD12 ' CG2' ' A' ' 24' ' ' VAL . 11.0 mt -78.9 117.96 25.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.133 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 27.7 p -94.83 132.89 39.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.123 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 89.83 75.86 1.3 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.521 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 19.1 mt -137.64 124.22 13.37 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.58 0.705 . . . . 0.0 110.917 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.78 127.13 14.14 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.677 2.251 . . . . 0.0 112.343 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 9.4 m -53.52 143.5 19.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.092 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 26.9 t0 68.66 31.8 4.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -115.15 137.32 52.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.127 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 53.8 mttp -101.66 131.12 48.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.908 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 13.5 pt -138.73 153.31 25.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.199 179.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 49.6 m-85 -101.27 125.56 47.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.856 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 59.2 t -113.57 143.23 23.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.126 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.512 ' NE ' ' O ' ' A' ' 81' ' ' ARG . 0.0 OUTLIER -156.1 147.13 22.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.837 -179.959 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.44 HG23 ' HG2' ' A' ' 11' ' ' PRO . 28.1 m -131.68 165.07 32.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.094 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.407 ' HE3' ' CG2' ' A' ' 85' ' ' VAL . 0.0 OUTLIER -158.67 170.71 21.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 179.908 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -94.5 143.38 26.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.074 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.407 ' CG2' ' HE3' ' A' ' 83' ' ' LYS . 86.7 t -138.89 123.73 21.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.109 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -143.99 168.79 19.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.952 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.651 ' HB3' ' CB ' ' A' ' 37' ' ' ALA . . . -53.62 -21.43 6.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.153 179.856 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.637 ' HB3' ' HB1' ' A' ' 36' ' ' ALA . . . -77.52 -56.85 4.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.132 179.876 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -179.68 -168.44 38.51 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.454 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -113.62 162.37 16.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.803 0.335 . . . . 0.0 111.107 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 64.5 p -112.52 154.72 25.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.891 -179.799 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -48.94 143.84 8.06 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.612 0.72 . . . . 0.0 110.878 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 139.77 40.79 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.64 2.227 . . . . 0.0 112.336 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 31.1 tptt -98.91 99.45 10.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 -80.92 124.59 29.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.914 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . 0.435 ' O ' ' C ' ' A' ' 97' ' ' SER . 2.3 t80 -67.53 127.15 31.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.943 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 96' ' ' TYR . 73.4 m -35.18 -73.72 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.901 -179.86 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . 0.425 ' O ' ' CD1' ' A' ' 96' ' ' TYR . 3.6 pt20 -101.99 151.76 38.07 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.571 0.7 . . . . 0.0 110.917 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 151.39 69.44 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.698 2.265 . . . . 0.0 112.368 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.433 ' N ' HD12 ' A' ' 100' ' ' ILE . 4.7 mp -90.93 133.29 33.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.106 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.409 ' O ' ' N ' ' A' ' 103' ' ' LYS . 14.4 tp -109.25 102.19 11.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.924 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.603 HG13 ' O ' ' A' ' 102' ' ' VAL . 7.2 p -57.43 85.49 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.113 179.814 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 0.409 ' N ' ' O ' ' A' ' 101' ' ' LEU . 10.5 tptp -137.95 137.87 38.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 9.4 tm-20 -78.82 160.99 27.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.846 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 74.7 m -39.69 -51.34 2.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.83 -179.794 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 128.05 -156.75 20.89 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.46 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.407 ' O ' ' C ' ' A' ' 108' ' ' SER . 53.7 Cg_endo -69.74 2.8 3.2 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.664 2.243 . . . . 0.0 112.353 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 107' ' ' PRO . 9.7 t -37.32 122.33 0.89 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.834 -179.829 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 2.2 m -100.87 130.21 46.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.87 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.481 -179.989 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.5 p -130.89 175.07 9.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.85 0.357 . . . . 0.0 110.917 -179.786 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.5 t -115.36 -44.89 2.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.843 -179.804 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 156.11 -132.59 3.38 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.518 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 55.4 p -62.52 163.57 8.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.887 0.375 . . . . 0.0 110.848 -179.798 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.8 t -113.71 -32.23 6.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.862 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 115.9 -24.73 9.95 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.483 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.424 HG22 ' H ' ' A' ' 9' ' ' SER . 1.7 m -105.45 164.56 11.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.779 0.323 . . . . 0.0 111.17 -179.859 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.424 ' H ' HG22 ' A' ' 8' ' ' THR . 24.9 m -86.02 149.98 51.57 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.696 0.76 . . . . 0.0 110.851 -179.834 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 167.13 25.34 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.678 2.252 . . . . 0.0 112.341 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.51 ' HD3' ' HB2' ' A' ' 84' ' ' ALA . 54.1 Cg_endo -69.7 128.02 15.48 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.687 2.258 . . . . 0.0 112.368 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 60.5 p -111.09 -175.15 2.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.108 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 29.4 mt 53.27 41.26 32.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -81.83 112.2 18.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.935 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 4.1 m -150.59 151.86 33.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.118 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.551 HG22 ' SD ' ' A' ' 26' ' ' MET . 3.3 t -74.53 119.73 22.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.128 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 43.4 t0 -77.64 -49.91 13.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.863 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.4 t -148.79 162.64 39.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 -179.747 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 95.7 t -144.48 122.58 5.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.146 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.49 HG22 ' H ' ' A' ' 22' ' ' THR . 17.1 m -120.25 144.35 47.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.151 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -54.97 -17.83 4.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.835 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.49 ' H ' HG22 ' A' ' 20' ' ' THR . 1.4 m -96.8 -49.68 4.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.183 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 19.2 p -143.02 167.04 23.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.143 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.909 ' O ' HG23 ' A' ' 68' ' ' THR . 19.4 m -117.01 162.38 15.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.155 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 12.6 m -132.99 115.53 15.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.171 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.551 ' SD ' HG22 ' A' ' 16' ' ' VAL . 58.1 mmm -111.28 123.88 51.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.888 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 1.8 ptp180 -109.4 154.02 23.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.912 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.483 ' CZ3' HD12 ' A' ' 44' ' ' LEU . 16.8 p90 -160.23 170.74 20.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.911 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 25.6 mtt180 -125.61 157.08 69.65 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.574 0.702 . . . . 0.0 110.911 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 165.53 30.6 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.666 2.244 . . . . 0.0 112.348 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.528 ' HG2' HD13 ' A' ' 34' ' ' ILE . 53.4 Cg_endo -69.81 141.73 45.81 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.643 2.229 . . . . 0.0 112.34 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.405 ' C ' ' O ' ' A' ' 31' ' ' PRO . 9.4 t70 -37.8 -46.9 0.97 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.907 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.415 ' CD2' ' C ' ' A' ' 33' ' ' HIS . 0.1 OUTLIER -128.21 163.81 23.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.807 -179.935 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.528 HD13 ' HG2' ' A' ' 31' ' ' PRO . 19.7 mm -117.45 131.73 69.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.178 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.42 ' O ' ' N ' ' A' ' 38' ' ' GLY . . . -58.11 139.99 47.0 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.497 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -38.82 -36.0 0.24 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.794 0.331 . . . . 0.0 111.121 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.14 -45.31 94.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.093 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 35' ' ' GLY . . . 110.41 133.0 6.36 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.469 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.699 HD21 ' CZ ' ' A' ' 42' ' ' TYR . 4.2 tp -85.4 126.54 33.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.763 0.316 . . . . 0.0 110.936 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -110.44 96.01 5.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.86 179.827 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.895 ' HA3' HD13 ' A' ' 61' ' ' LEU . . . 55.09 -160.33 5.71 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.504 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.699 ' CZ ' HD21 ' A' ' 39' ' ' LEU . 9.8 m-85 -145.35 -177.78 5.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.916 0.389 . . . . 0.0 110.927 -179.818 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.639 HG23 HG21 ' A' ' 85' ' ' VAL . 20.5 t -135.43 126.53 44.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.163 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.507 HD13 ' HB3' ' A' ' 67' ' ' PHE . 8.2 tt -123.07 132.92 54.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.928 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.427 ' N ' HD23 ' A' ' 44' ' ' LEU . 12.8 mt-10 -140.65 159.93 41.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.875 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 4.7 p90 -139.61 134.95 32.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.929 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.427 ' HB2' ' CE3' ' A' ' 54' ' ' TRP . 27.3 t -101.55 115.94 31.65 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.859 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -70.06 136.23 50.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.41 ' HG3' ' N ' ' A' ' 50' ' ' GLY . 4.0 pt-20 -61.41 -29.13 69.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.887 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.41 ' N ' ' HG3' ' A' ' 49' ' ' GLU . . . -68.03 -13.54 64.47 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.486 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 51.3 p -128.36 -176.78 3.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.743 0.306 . . . . 0.0 111.161 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -128.79 30.78 5.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.879 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -136.57 153.12 51.06 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.835 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.556 ' CH2' ' HG3' ' A' ' 81' ' ' ARG . 96.1 m95 -84.15 119.63 25.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 37.3 mt -93.33 135.08 29.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.093 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 93.4 t -74.56 123.51 30.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.158 179.822 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -92.15 -40.92 10.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.12 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 9.8 p-10 -103.25 122.39 44.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.2 ttmp? -54.89 -53.38 56.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.435 ' O ' ' C ' ' A' ' 61' ' ' LEU . 3.6 m-20 -129.04 165.71 20.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.891 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.895 HD13 ' HA3' ' A' ' 41' ' ' GLY . 1.6 pp -34.64 135.28 0.18 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.923 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 21.2 mt -86.3 105.34 14.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.148 179.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 -57.03 -53.7 55.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.875 179.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.4 mppt? -65.96 179.59 0.87 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.918 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 8.3 p -109.89 19.95 18.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.157 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 13.0 ttpp -146.92 140.24 25.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.909 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.507 ' HB3' HD13 ' A' ' 44' ' ' LEU . 24.0 t80 -135.36 154.62 51.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.909 HG23 ' O ' ' A' ' 24' ' ' VAL . 78.1 m -138.65 115.02 10.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.143 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 25.0 mt -72.22 107.63 3.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.167 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 8.9 p -84.01 138.11 33.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.139 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 83.87 71.31 1.32 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.439 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 13.1 mt -128.27 131.3 23.7 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.607 0.718 . . . . 0.0 110.903 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.451 ' O ' HG11 ' A' ' 102' ' ' VAL . 53.9 Cg_endo -69.81 133.55 25.73 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.68 2.253 . . . . 0.0 112.354 179.838 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 12.2 m -60.82 149.57 35.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.104 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.8 t70 58.97 36.89 24.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.475 ' O ' HG12 ' A' ' 102' ' ' VAL . . . -115.48 138.04 51.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.107 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 55.5 mttp -99.15 130.35 45.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.911 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.435 ' C ' HD12 ' A' ' 78' ' ' ILE . 2.4 pp -142.0 160.67 20.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.164 179.874 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 85.0 m-85 -100.41 175.88 5.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.864 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.551 HG11 ' HG3' ' A' ' 26' ' ' MET . 95.6 t -154.96 116.44 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.136 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.559 ' HD2' ' CD1' ' A' ' 95' ' ' TYR . 13.1 mmp_? -129.13 122.19 29.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.884 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 26.1 m -114.68 129.08 71.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.128 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 10.0 ptpt -118.82 174.41 6.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.85 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.51 ' HB2' ' HD3' ' A' ' 11' ' ' PRO . . . -106.86 129.27 54.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.098 179.838 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.639 HG21 HG23 ' A' ' 43' ' ' VAL . 61.9 t -115.96 127.44 73.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.165 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.436 ' N ' ' ND2' ' A' ' 86' ' ' ASN . 0.2 OUTLIER -134.81 171.26 14.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.892 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -53.8 -40.56 66.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.129 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.68 -49.24 73.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.067 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -179.09 -122.16 0.75 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.529 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -156.02 153.79 30.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.773 0.321 . . . . 0.0 111.108 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 74.2 m -104.39 169.91 8.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.813 -179.762 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -62.89 142.68 97.4 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.621 0.724 . . . . 0.0 110.918 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 155.04 66.99 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.715 2.276 . . . . 0.0 112.362 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 9.4 tmtt? -87.71 115.86 25.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . 0.559 ' CD1' ' HD2' ' A' ' 81' ' ' ARG . 39.0 m-85 -91.0 105.41 17.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . 0.529 ' CD1' ' N ' ' A' ' 97' ' ' SER . 34.6 t80 -61.31 169.0 2.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.953 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . 0.529 ' N ' ' CD1' ' A' ' 96' ' ' TYR . 35.5 t -66.25 -73.57 0.13 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.874 -179.804 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -114.28 161.45 28.28 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.63 0.729 . . . . 0.0 110.871 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 145.36 56.73 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.637 2.224 . . . . 0.0 112.359 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.574 ' H ' HD12 ' A' ' 100' ' ' ILE . 4.0 mp -86.58 147.32 5.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.163 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 13.6 tp -119.04 115.87 25.21 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.703 HG13 ' O ' ' A' ' 102' ' ' VAL . 10.0 p -62.75 82.82 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.119 179.854 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 19.7 tptt -140.66 132.24 27.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -64.92 158.65 24.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.894 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 37.6 m -124.76 108.16 11.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.858 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -148.64 70.63 0.32 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.496 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -7.08 20.13 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.686 2.257 . . . . 0.0 112.339 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 2.8 t -102.96 123.6 46.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.912 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 77.5 p -79.03 102.31 8.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.816 -179.767 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.507 179.989 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.447 -0.261 . . . . 0.0 112.447 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.9 p -50.2 149.09 3.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.855 0.359 . . . . 0.0 110.884 -179.716 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 73.1 m -81.77 -40.14 23.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.858 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 170.5 112.34 0.27 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.469 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.2 t -125.9 119.01 26.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.837 0.351 . . . . 0.0 110.851 -179.703 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.459 ' HA ' ' HB3' ' A' ' 88' ' ' ALA . 43.1 t -49.85 146.64 4.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 -179.827 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -117.21 22.5 10.32 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.442 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.636 HG23 ' HA ' ' A' ' 34' ' ' ILE . 6.6 m -88.3 161.0 17.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.825 0.345 . . . . 0.0 111.131 -179.874 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.449 ' N ' HG22 ' A' ' 8' ' ' THR . 1.0 OUTLIER -79.22 143.99 61.71 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.68 0.753 . . . . 0.0 110.831 -179.855 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 169.91 17.87 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.646 2.231 . . . . 0.0 112.336 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.531 ' HG2' HG23 ' A' ' 82' ' ' VAL . 53.9 Cg_endo -69.85 114.36 3.69 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.664 2.243 . . . . 0.0 112.333 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 37.9 p -103.3 173.51 6.27 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.155 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 83.2 mt 54.18 52.87 11.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.853 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.668 HD13 ' HD2' ' A' ' 96' ' ' TYR . 0.0 OUTLIER -80.77 109.01 14.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.924 179.863 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.473 HG22 ' N ' ' A' ' 16' ' ' VAL . 69.0 m -135.42 156.89 48.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.145 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.475 HG23 ' OH ' ' A' ' 96' ' ' TYR . 2.8 t -80.23 133.4 29.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.132 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -85.91 -48.86 8.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.842 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.5 t -155.93 165.15 37.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.87 -179.791 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.462 HG13 HG12 ' A' ' 24' ' ' VAL . 58.9 t -148.72 128.33 3.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.095 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.3 m -142.14 135.56 29.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.202 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 56.7 m-20 -38.89 -34.05 0.14 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.882 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 82.5 p -73.01 -49.17 30.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.124 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 81.2 p -155.34 166.73 32.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.146 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.462 HG12 HG13 ' A' ' 19' ' ' VAL . 30.6 m -121.96 142.31 38.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.137 179.857 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 27.7 m -108.59 142.49 38.96 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.086 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.436 ' SD ' HG13 ' A' ' 16' ' ' VAL . 77.9 mmm -129.63 139.04 51.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 27.3 ptt180 -133.33 144.09 49.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.879 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 45.1 p90 -142.82 172.5 12.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.912 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.491 ' CD ' ' HD2' ' A' ' 30' ' ' PRO . 6.2 tpt180 -106.66 139.35 20.27 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.575 0.702 . . . . 0.0 110.878 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.491 ' HD2' ' CD ' ' A' ' 29' ' ' ARG . 53.3 Cg_endo -69.76 164.38 34.76 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.708 2.272 . . . . 0.0 112.354 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.454 ' HG2' HD11 ' A' ' 34' ' ' ILE . 54.2 Cg_endo -69.82 130.16 18.78 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.681 2.254 . . . . 0.0 112.356 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 31' ' ' PRO . 2.6 p30 -37.06 -43.64 0.49 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.851 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.405 ' C ' HD12 ' A' ' 34' ' ' ILE . 89.8 m-70 -150.44 148.83 29.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.807 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.636 ' HA ' HG23 ' A' ' 8' ' ' THR . 0.7 OUTLIER -96.03 116.1 36.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.151 179.944 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.422 ' C ' ' O ' ' A' ' 34' ' ' ILE . . . -36.42 -86.47 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.468 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.466 ' O ' ' HB3' ' A' ' 37' ' ' ALA . . . -153.22 164.81 37.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.789 0.328 . . . . 0.0 111.109 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.79 ' HB1' ' HB3' ' A' ' 87' ' ' ALA . . . 69.67 25.0 5.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.099 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 59.05 -177.02 2.33 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.465 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 5.5 tp -120.14 131.27 54.96 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.823 0.344 . . . . 0.0 110.942 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.543 ' O ' HD22 ' A' ' 61' ' ' LEU . 0.4 OUTLIER -103.27 94.1 5.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.867 179.878 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.459 ' C ' ' CG ' ' A' ' 42' ' ' TYR . . . 33.8 -139.3 0.13 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.442 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.459 ' CG ' ' C ' ' A' ' 41' ' ' GLY . 0.2 OUTLIER -157.38 177.22 11.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.933 0.396 . . . . 0.0 110.893 -179.771 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.502 HG12 ' OE1' ' A' ' 45' ' ' GLU . 59.6 t -124.51 129.88 73.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.09 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 6.7 tt -128.9 130.34 46.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.917 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.502 ' OE1' HG12 ' A' ' 43' ' ' VAL . 1.5 mp0 -136.01 145.52 46.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.907 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 13.5 p90 -122.97 139.37 54.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.943 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.534 ' HB2' ' CD2' ' A' ' 54' ' ' TRP . 48.6 t -110.72 115.46 29.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.911 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -76.92 134.43 38.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.902 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -54.44 99.41 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.853 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 130.62 39.13 0.28 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.477 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 43.4 p -151.7 173.47 14.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.758 0.313 . . . . 0.0 111.187 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -121.13 -0.22 10.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.89 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 15.4 p-10 -138.0 138.98 39.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.92 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.534 ' CD2' ' HB2' ' A' ' 47' ' ' CYS . 69.1 m95 -70.44 133.92 47.3 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.941 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.477 HD12 ' H ' ' A' ' 55' ' ' ILE . 5.0 mp -83.05 112.78 21.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.113 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 92.8 t -56.85 122.56 6.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.119 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -90.91 -60.13 1.99 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.134 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 24.9 p-10 -71.67 157.46 37.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.925 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 16.9 tttp -87.77 -53.06 4.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.846 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -122.19 -71.36 0.73 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.886 179.881 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.543 HD22 ' O ' ' A' ' 40' ' ' ASP . 12.0 mt -151.88 148.83 28.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.978 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.764 HG22 ' O ' ' A' ' 64' ' ' LYS . 43.1 mt -92.93 106.65 18.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.144 179.835 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -58.39 -60.87 3.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.856 179.827 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.764 ' O ' HG22 ' A' ' 62' ' ' ILE . 31.2 mttp -75.76 162.25 28.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.954 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 29.8 p -87.32 37.03 0.76 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.131 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 22.1 ttmt -149.93 144.42 25.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 60.2 t80 -141.72 152.95 44.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.907 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 60.5 m -134.04 118.0 17.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.122 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 26.4 mt -75.95 118.17 21.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.145 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 55.5 p -93.88 138.69 31.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.092 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 77.2 75.49 0.92 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.522 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 22.3 mt -132.05 132.51 23.14 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.531 0.681 . . . . 0.0 110.926 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.523 ' O ' HG11 ' A' ' 102' ' ' VAL . 53.4 Cg_endo -69.79 147.2 62.18 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.697 2.265 . . . . 0.0 112.31 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.503 HG22 ' N ' ' A' ' 75' ' ' ASP . 24.8 m -69.86 160.33 31.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.164 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.503 ' N ' HG22 ' A' ' 74' ' ' THR . 0.6 OUTLIER 46.82 48.15 15.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.917 179.954 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.537 ' O ' HG12 ' A' ' 102' ' ' VAL . . . -125.79 149.07 48.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.064 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.467 ' HE2' ' CD2' ' A' ' 101' ' ' LEU . 29.6 mttm -114.45 126.11 54.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.895 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 7.1 pt -132.87 152.79 36.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.136 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -101.56 145.49 28.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.918 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.41 HG23 HD13 ' A' ' 100' ' ' ILE . 60.7 t -116.54 138.44 47.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.128 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.657 ' CZ ' ' CZ ' ' A' ' 95' ' ' TYR . 31.8 mmm-85 -137.57 129.94 29.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.531 HG23 ' HG2' ' A' ' 11' ' ' PRO . 13.2 m -126.13 134.5 66.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.169 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.645 ' NZ ' ' HB1' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -134.56 145.87 49.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 179.964 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.44 ' HB3' ' CB ' ' A' ' 91' ' ' SER . . . -81.59 141.0 34.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.144 179.782 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.477 HG23 ' CD ' ' A' ' 83' ' ' LYS . 77.0 t -141.02 126.39 18.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.121 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.488 ' N ' ' ND2' ' A' ' 86' ' ' ASN . 0.3 OUTLIER -132.74 169.12 17.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.906 179.96 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.79 ' HB3' ' HB1' ' A' ' 37' ' ' ALA . . . -49.74 -34.63 19.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.127 179.859 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.459 ' HB3' ' HA ' ' A' ' 6' ' ' SER . . . -60.1 -52.66 64.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.141 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -176.94 -110.98 0.28 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.453 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.645 ' HB1' ' NZ ' ' A' ' 83' ' ' LYS . . . -152.14 169.16 23.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.797 0.332 . . . . 0.0 111.121 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.44 ' CB ' ' HB3' ' A' ' 84' ' ' ALA . 1.4 t -124.32 168.0 13.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.856 -179.774 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -68.35 141.86 93.99 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.65 0.738 . . . . 0.0 110.875 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.406 ' CB ' HH21 ' A' ' 81' ' ' ARG . 54.4 Cg_endo -69.75 158.87 55.49 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.685 2.256 . . . . 0.0 112.365 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.425 ' NZ ' ' HB2' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -122.43 109.31 14.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 179.907 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . 0.657 ' CZ ' ' CZ ' ' A' ' 81' ' ' ARG . 44.4 m-85 -76.42 136.24 39.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . 0.668 ' HD2' HD13 ' A' ' 14' ' ' LEU . 35.7 t80 -74.65 162.83 28.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.945 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . 0.586 ' N ' ' CD1' ' A' ' 96' ' ' TYR . 3.8 m -62.1 -75.35 0.07 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.868 -179.852 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . 0.431 ' O ' ' CD1' ' A' ' 96' ' ' TYR . 14.4 mm-40 -119.37 159.8 44.18 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.562 0.696 . . . . 0.0 110.915 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 137.28 35.14 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.687 2.258 . . . . 0.0 112.363 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.624 ' H ' HD12 ' A' ' 100' ' ' ILE . 4.2 mp -80.66 134.38 27.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.13 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.471 ' O ' ' N ' ' A' ' 103' ' ' LYS . 0.1 OUTLIER -100.69 103.81 15.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.941 179.856 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.537 HG12 ' O ' ' A' ' 76' ' ' ALA . 3.5 p -57.18 82.07 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.091 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 0.471 ' N ' ' O ' ' A' ' 101' ' ' LEU . 13.7 tptm -143.94 134.61 24.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.939 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.422 ' HG3' ' N ' ' A' ' 105' ' ' SER . 3.9 tp10 -87.98 156.66 19.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.9 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . 0.422 ' N ' ' HG3' ' A' ' 104' ' ' GLU . 23.4 m 58.04 49.05 12.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.861 -179.833 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -111.63 -170.18 18.74 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.462 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 154.54 67.55 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.704 2.269 . . . . 0.0 112.305 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 4.7 m -62.35 -49.45 75.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 68.6 m -85.14 131.59 34.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.889 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.496 -179.954 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.4 p -163.68 161.08 23.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.882 0.372 . . . . 0.0 110.878 -179.704 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.0 m -71.66 84.8 0.89 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.866 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -166.73 -161.97 17.17 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.466 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.1 m -79.09 151.5 31.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.904 0.383 . . . . 0.0 110.895 -179.769 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 90.5 p -116.03 -59.15 2.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.848 -179.764 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 157.89 -51.96 0.41 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.514 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.653 HG21 ' HB2' ' A' ' 39' ' ' LEU . 16.8 p -85.63 154.73 21.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.789 0.328 . . . . 0.0 111.13 -179.878 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.6 m -79.34 149.81 72.9 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.68 0.752 . . . . 0.0 110.868 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 157.69 59.56 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.751 2.301 . . . . 0.0 112.33 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 120.26 7.07 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.693 2.262 . . . . 0.0 112.324 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 69.4 p -101.92 -178.94 3.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.123 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 34.8 mt 56.1 49.54 15.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.925 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.424 ' CD1' ' CD2' ' A' ' 96' ' ' TYR . 2.1 tm? -82.84 112.5 19.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.887 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 4.8 t -148.28 157.6 43.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.153 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 4.5 t -82.51 112.49 20.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.146 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -61.88 -47.73 83.66 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.837 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 10.7 p -159.33 161.03 35.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.851 -179.761 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 24.1 t -138.23 134.13 44.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.148 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.413 ' O ' ' C ' ' A' ' 21' ' ' ASP . 1.6 m -145.94 132.56 19.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.129 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.413 ' C ' ' O ' ' A' ' 20' ' ' THR . 3.0 p-10 -37.6 -33.09 0.06 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.401 ' N ' ' O ' ' A' ' 20' ' ' THR . 38.9 p -71.53 -53.77 12.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.137 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 80.9 p -152.46 169.34 22.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.165 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.431 ' CG2' HD12 ' A' ' 69' ' ' ILE . 20.4 m -118.39 142.94 30.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.141 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 10.7 m -111.35 143.65 41.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.152 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 77.8 mmm -130.18 160.61 33.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.858 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 9.0 ptm180 -149.85 130.76 14.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.881 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 30.1 p90 -132.76 165.98 23.28 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.855 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.492 ' CD ' ' HD2' ' A' ' 30' ' ' PRO . 5.1 tpt180 -114.89 139.77 24.64 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.569 0.699 . . . . 0.0 110.896 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.492 ' HD2' ' CD ' ' A' ' 29' ' ' ARG . 54.4 Cg_endo -69.7 167.69 23.65 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.651 2.234 . . . . 0.0 112.395 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 131.32 20.97 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.661 2.241 . . . . 0.0 112.374 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -40.25 -36.93 0.58 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.821 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 20.5 t60 -139.11 156.18 47.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.821 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.577 HD12 ' HB3' ' A' ' 39' ' ' LEU . 26.4 mm -102.7 115.27 44.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.165 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.575 ' H ' HG22 ' A' ' 8' ' ' THR . . . -48.26 177.51 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.462 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -68.0 -54.52 17.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.803 0.335 . . . . 0.0 111.106 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -44.68 -33.46 1.85 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.124 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.404 ' O ' ' CB ' ' A' ' 86' ' ' ASN . . . 97.91 143.62 15.28 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.496 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.653 ' HB2' HG21 ' A' ' 8' ' ' THR . 8.9 tp -90.46 142.14 28.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.806 0.336 . . . . 0.0 110.904 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 81.1 m-20 -128.06 100.16 5.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.857 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 39.66 -160.77 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.48 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.493 ' N ' ' CD1' ' A' ' 42' ' ' TYR . 0.3 OUTLIER -142.88 155.53 44.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.919 0.39 . . . . 0.0 110.907 -179.776 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 81.2 t -118.89 133.69 64.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.088 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.4 tt -128.95 133.16 47.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.963 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.413 ' OE1' ' N ' ' A' ' 45' ' ' GLU . 1.6 mp0 -134.48 153.07 52.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.839 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 9.5 p90 -132.61 131.8 41.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.926 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.5 ' HB2' ' CD2' ' A' ' 54' ' ' TRP . 47.2 t -105.13 104.71 14.5 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.886 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.461 ' HA ' HG22 ' A' ' 78' ' ' ILE . 4.1 t80 -49.41 174.37 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.928 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -77.83 131.68 37.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.923 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 82.39 -27.71 3.59 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.452 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -65.14 119.23 10.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.726 0.298 . . . . 0.0 111.119 -179.829 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -86.21 16.78 4.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.935 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -139.04 129.45 25.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.884 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.599 ' CE2' ' CZ ' ' A' ' 81' ' ' ARG . 75.5 m95 -68.08 151.62 46.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.957 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 18.2 mt -124.5 115.57 44.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.104 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 31.9 t -72.33 134.16 30.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.142 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -85.62 -43.84 13.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.121 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 21.6 p-10 -83.72 -176.4 6.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.858 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -113.91 -45.44 3.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.94 179.856 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.56 ' O ' HD23 ' A' ' 61' ' ' LEU . 0.1 OUTLIER -120.9 -63.61 1.32 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.89 179.861 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.56 HD23 ' O ' ' A' ' 60' ' ' ASP . 85.8 mt -153.86 -178.0 6.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.916 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 36.5 mt -128.05 106.97 15.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.164 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -86.27 47.47 1.47 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 179.833 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 30.2 mttm -159.58 157.04 29.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.941 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 15.5 p -90.75 19.62 5.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.127 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 12.7 mtmm -151.78 160.3 43.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.859 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 12.2 t80 -155.58 143.56 19.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.88 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 92.5 m -126.99 112.09 14.84 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.136 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.431 HD12 ' CG2' ' A' ' 24' ' ' VAL . 55.5 mt -66.26 108.87 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.161 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 29.0 p -83.77 131.9 34.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.105 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 84.36 84.27 0.96 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.481 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 6.2 mt -137.71 127.79 15.44 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.597 0.713 . . . . 0.0 110.917 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 128.76 16.47 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.635 2.223 . . . . 0.0 112.345 179.834 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 54.2 m -54.57 149.85 10.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.127 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 9.6 t70 60.7 32.94 20.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.884 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.599 ' O ' HG12 ' A' ' 102' ' ' VAL . . . -112.62 141.76 46.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.091 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.1 mmmm -109.97 131.64 54.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.474 ' C ' HD12 ' A' ' 78' ' ' ILE . 2.4 pp -139.47 159.31 28.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.11 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 92.7 m-85 -108.36 132.0 54.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.865 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.555 HG23 HD12 ' A' ' 100' ' ' ILE . 55.2 t -110.99 138.09 40.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.123 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.599 ' CZ ' ' CE2' ' A' ' 54' ' ' TRP . 19.1 ptt180 -153.3 139.31 18.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.892 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 7.5 m -127.53 156.46 39.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.109 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.08 133.22 10.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.894 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -59.47 148.51 32.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.122 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 57.3 t -139.25 118.15 12.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.121 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.404 ' CB ' ' O ' ' A' ' 38' ' ' GLY . 0.2 OUTLIER -128.98 179.0 5.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.904 179.953 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -48.78 -40.64 29.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.065 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.25 -57.08 11.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.106 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -178.91 -114.2 0.41 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.497 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -156.95 172.2 19.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.819 0.343 . . . . 0.0 111.124 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 25.5 m -105.46 169.18 8.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.85 -179.777 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -57.82 142.84 78.06 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.606 0.717 . . . . 0.0 110.873 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 127.74 14.97 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.671 2.248 . . . . 0.0 112.311 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 4.8 tmtm? -83.68 101.62 11.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.898 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -83.42 115.38 22.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.936 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . 0.424 ' CD2' ' CD1' ' A' ' 14' ' ' LEU . 0.2 OUTLIER -65.45 119.22 10.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.95 -179.898 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 96' ' ' TYR . 57.3 p -36.38 -63.74 0.37 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.83 -179.829 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -106.34 140.61 21.46 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.625 0.726 . . . . 0.0 110.915 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 164.37 34.84 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.675 2.25 . . . . 0.0 112.301 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.555 HD12 HG23 ' A' ' 80' ' ' VAL . 10.3 mt -98.2 144.84 10.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.098 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.9 tp -117.9 106.41 12.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.925 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.599 HG12 ' O ' ' A' ' 76' ' ' ALA . 1.6 p -65.64 90.83 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.126 179.856 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 7.1 tptm -142.13 138.38 31.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.434 ' HG2' ' N ' ' A' ' 105' ' ' SER . 24.3 tt0 -87.19 160.09 18.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.856 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . 0.434 ' N ' ' HG2' ' A' ' 104' ' ' GLU . 46.9 t -133.04 81.5 1.94 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.841 -179.762 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 113.0 83.29 1.23 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.507 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 2.52 3.45 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.704 2.269 . . . . 0.0 112.325 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 2.8 t -58.05 115.4 2.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.871 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 5.1 m 62.41 42.72 8.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.87 -179.8 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.458 -179.944 . . . . . . . . 0 0 . 1 stop_ save_