data_6o1q_residue ############################ # Computer software used # ############################ save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 6o1q _Structure_validation_residue.Date_analyzed 2019-08-09 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 ' 12' ' ' ASP . . . . . 0.413 ' HA ' ' HD3' ' A' ' 13' ' ' PRO . 68.3 m-20 . . . . . 0 C--O 1.235 0.314 0 CA-C-O 121.081 0.467 . . . . 2.19 111.361 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 12' ' ' ASP . 38.2 Cg_exo -56.53 -28.69 75.25 Favored 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 123.314 2.676 . . . . 1.75 111.81 177.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 73.2 mt -57.55 -41.7 81.51 Favored 'General case' 0 C--O 1.225 -0.204 0 CA-C-N 115.929 -0.578 . . . . 1.38 110.853 178.022 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 7.7 tp-100 -68.46 -44.96 73.7 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.638 0.256 . . . . 3.13 110.814 -178.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.13 -45.18 94.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.194 0.521 . . . . 1.28 110.683 177.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 42.7 tp -65.99 -42.27 90.02 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.514 -0.766 . . . . 1.67 110.998 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 67.2 mtt180 -59.3 -37.47 77.8 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 120.497 0.189 . . . . 3.84 111.109 179.124 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 57.6 ttp180 -59.26 -46.0 89.69 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.224 0.535 . . . . 4.35 109.86 176.245 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 67.1 ttt180 -68.67 -38.97 80.8 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.606 -0.725 . . . . 4.64 111.156 177.691 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 90.0 m-20 -62.71 -39.44 94.04 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 120.643 0.258 . . . . 1.34 110.911 178.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.435 ' O ' ' HG3' ' A' ' 26' ' ' GLN . 47.6 tp60 -64.01 -32.88 74.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.163 0.506 . . . . 3.26 109.865 177.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -71.96 -38.46 69.75 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.553 -0.749 . . . . 2.14 109.787 179.534 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 82.7 mt -62.3 -43.5 98.69 Favored 'General case' 0 CA--C 1.518 -0.285 0 CA-C-N 116.102 -0.499 . . . . 1.23 110.075 175.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 55.7 tttm -59.02 -42.74 90.87 Favored 'General case' 0 N--CA 1.455 -0.181 0 CA-C-N 116.381 -0.372 . . . . 2.44 110.697 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.435 ' HG3' ' O ' ' A' ' 22' ' ' GLN . 79.6 mt-30 -61.37 -35.35 77.23 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.936 0.398 . . . . 3.17 110.682 179.513 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 -72.17 -34.66 68.62 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.055 -0.52 . . . . 1.91 110.566 178.101 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 69.4 t -68.05 -46.1 82.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-O 120.884 0.373 . . . . 1.15 110.051 178.232 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 41.7 m-20 -58.68 -35.77 73.12 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.034 -0.53 . . . . 1.21 110.331 176.261 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 13.5 t -69.62 -37.53 76.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.721 -0.672 . . . . 1.9 110.439 178.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 62.3 tp -65.87 -44.94 83.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.013 0.435 . . . . 1.8 109.924 178.2 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.482 ' HA ' ' OG ' ' A' ' 35' ' ' SER . 95.5 mt -60.39 -32.71 71.58 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.602 -0.726 . . . . 1.39 110.626 175.822 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.586 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 32.5 t -61.89 -32.66 73.05 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.309 -0.405 . . . . 1.9 110.461 176.601 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 36.9 mm-40 -73.24 -46.71 48.56 Favored 'General case' 0 C--O 1.227 -0.126 0 N-CA-C 109.886 -0.412 . . . . 1.86 109.886 176.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.482 ' OG ' ' HA ' ' A' ' 32' ' ' LEU . 26.7 p -65.35 -8.72 19.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.07 -0.514 . . . . 1.94 111.605 179.764 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 22.0 tp60 -100.26 -8.79 23.08 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.225 0.536 . . . . 3.55 109.674 -175.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.586 ' HG ' ' O ' ' A' ' 33' ' ' SER . 84.3 mt -83.44 143.28 30.37 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.708 -0.678 . . . . 1.43 110.445 -177.372 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 37.5 mtmm -71.89 -28.88 63.8 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.985 -0.552 . . . . 4.11 110.607 176.613 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -68.28 -18.52 64.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.338 0.589 . . . . 3.24 110.182 176.55 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -77.08 0.02 22.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.111 -0.495 . . . . 1.64 111.146 179.508 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 44.9 tp -71.59 -14.26 62.02 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.883 -0.599 . . . . 3.2 110.064 174.582 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -57.13 126.08 72.48 Favored Pre-proline 0 C--O 1.233 0.232 0 CA-C-N 115.776 -0.647 . . . . 3.43 110.004 175.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -51.66 -39.62 65.91 Favored 'Trans proline' 0 C--N 1.352 0.721 0 C-N-CA 123.269 2.646 . . . . 2.0 113.093 -178.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -68.43 -38.56 81.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.564 0.221 . . . . 2.03 111.417 -178.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 4.3 tppp? -62.24 -31.12 71.63 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.503 -0.317 . . . . 2.52 110.967 -177.51 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 24.1 mmm180 -57.89 -42.61 84.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.716 0.293 . . . . 4.27 110.533 -179.155 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -70.11 -33.72 72.21 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.098 0.475 . . . . 3.02 110.417 179.408 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 47.3 t60 -69.69 -38.82 77.15 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.725 -0.67 . . . . 1.15 110.358 -179.223 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 79.8 mt -67.78 -42.66 86.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 N-CA-C 109.593 -0.521 . . . . 1.37 109.593 175.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.439 ' CE2' ' HB2' ' A' ' 108' ' ' SER . 38.5 t80 -54.46 -41.15 69.15 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 115.471 -0.786 . . . . 0.97 111.124 176.565 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 51.6 tt0 -67.36 -45.94 74.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.819 0.342 . . . . 1.98 110.742 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.427 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 95.2 mtt180 -61.41 -34.23 75.03 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.221 -0.445 . . . . 4.54 110.911 178.524 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . 0.466 ' SG ' ' HB2' ' A' ' 104' ' ' ALA . 48.6 t -67.78 -45.31 75.18 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.619 -0.719 . . . . 1.09 110.027 -177.872 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 63.9 mt -61.59 -40.79 87.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.01 -0.541 . . . . 1.17 111.029 178.657 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -61.82 -50.71 71.2 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.294 -0.412 . . . . 3.22 111.274 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.427 ' HG ' ' O ' ' A' ' 52' ' ' ARG . 73.1 mt -62.17 -40.42 95.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.62 -0.264 . . . . 1.07 111.592 177.618 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.403 ' HZ1' ' HB2' ' A' ' 101' ' ' GLN . 65.8 tttp -62.32 -39.68 93.85 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.013 0.435 . . . . 2.42 110.168 179.562 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 55.7 tp60 -64.19 -37.27 86.87 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.821 -0.627 . . . . 2.95 110.55 176.062 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -68.92 -43.5 75.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 1.07 111.052 -179.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.425 HG13 ' O ' ' A' ' 56' ' ' LEU . 70.8 mt -65.04 -41.72 92.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.866 0.365 . . . . 1.16 110.642 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -63.95 -36.5 84.15 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.226 -0.443 . . . . 0.64 110.039 178.753 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -62.27 -45.29 93.95 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.506 -0.77 . . . . 2.28 110.396 176.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -64.86 -38.44 91.0 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.291 -0.413 . . . . 1.6 110.623 176.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -62.11 -39.22 91.8 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.982 -0.554 . . . . 2.04 110.027 177.342 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 10.8 m120 -67.14 -42.5 84.31 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.21 -0.45 . . . . 1.94 110.553 176.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -62.38 -45.77 91.64 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.969 -0.56 . . . . 1.16 110.462 177.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 49.4 tp -60.81 -40.02 91.15 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.829 -0.623 . . . . 1.26 111.092 179.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -68.15 -33.12 73.89 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.462 -0.335 . . . . 2.3 111.098 178.011 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 55.6 tptt . . . . . 0 C--N 1.329 -0.301 0 CA-C-O 120.939 0.4 . . . . 3.1 110.401 -179.897 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 31.3 t80 . . . . . 0 CA--C 1.53 0.188 0 N-CA-C 109.785 -0.45 . . . . 1.82 109.785 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 91.2 m-20 -72.74 -30.06 63.86 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.233 -0.44 . . . . 2.11 110.886 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 60.0 tp60 -65.46 -50.47 65.24 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.848 -0.615 . . . . 4.28 110.485 177.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -63.48 -36.74 84.77 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.3 -0.409 . . . . 4.1 110.472 179.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 20.3 ttmm -61.12 -41.96 97.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.791 -0.64 . . . . 2.82 110.909 178.278 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.414 ' O ' ' HB2' ' A' ' 90' ' ' HIS . 5.0 tp10 -72.5 -42.16 65.14 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.437 -0.347 . . . . 2.94 111.045 -179.448 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -63.62 -31.17 72.26 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.464 -0.334 . . . . 2.99 110.888 179.321 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 23.1 tp10 -66.6 -36.24 82.15 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.688 -0.486 . . . . 1.83 109.688 178.243 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . 0.414 ' HB2' ' O ' ' A' ' 87' ' ' GLU . 9.2 m-70 -58.57 -41.04 84.78 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 115.885 -0.598 . . . . 0.66 110.287 174.157 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 20.0 m -62.51 -43.19 99.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.933 -0.576 . . . . 1.39 111.564 -177.203 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 57.7 tp -70.16 -50.92 35.51 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 116.439 -0.346 . . . . 1.22 110.788 -177.477 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 97.5 mt -63.37 -33.59 75.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.052 -0.522 . . . . 1.34 110.928 -177.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -68.03 -45.18 74.68 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.431 -0.349 . . . . 0.82 110.794 -177.56 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 40.4 ttpt -60.67 -43.99 97.0 Favored 'General case' 0 CA--C 1.519 -0.215 0 C-N-CA 121.069 -0.252 . . . . 2.77 110.702 178.02 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 92.8 mt -59.53 -40.63 87.82 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.222 -0.444 . . . . 1.14 110.513 176.424 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 28.2 m -58.17 -48.52 80.04 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.675 0.274 . . . . 1.16 110.945 174.646 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . 0.415 ' HA ' ' OE1' ' A' ' 98' ' ' GLN . 13.0 mm-40 -68.56 -35.41 77.37 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.323 -0.398 . . . . 3.1 111.139 -178.474 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -59.23 -47.28 85.92 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.069 -0.514 . . . . 2.67 110.137 178.048 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.426 ' HB3' ' SG ' ' A' ' 53' ' ' CYS . 87.9 mt -71.11 -45.19 64.13 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.686 -0.688 . . . . 1.16 110.834 179.546 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . 0.403 ' HB2' ' HZ1' ' A' ' 57' ' ' LYS . 22.7 tm0? -60.86 -44.47 96.98 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.135 -0.484 . . . . 2.34 110.717 -176.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -64.8 -43.58 95.97 Favored Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 120.705 -0.76 . . . . 0.51 111.756 178.491 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.415 ' O ' HG13 ' A' ' 107' ' ' ILE . 58.0 tp -65.61 -44.18 87.34 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.596 0.236 . . . . 1.33 110.605 179.594 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.466 ' HB2' ' SG ' ' A' ' 53' ' ' CYS . . . -58.13 -46.93 84.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.474 . . . . 1.11 111.353 -177.701 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 68.9 t -65.18 -40.31 88.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 120.949 0.404 . . . . 1.27 110.539 179.215 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 89.9 m -61.06 -41.61 96.94 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.93 -0.577 . . . . 1.27 110.96 179.069 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . 0.415 HG13 ' O ' ' A' ' 103' ' ' LEU . 72.6 mt -74.09 -37.34 46.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 121.231 0.539 . . . . 1.31 110.668 178.715 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' SER . . . . . 0.439 ' HB2' ' CE2' ' A' ' 50' ' ' TYR . 21.7 t -65.84 -23.34 66.65 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.059 -0.519 . . . . 1.81 110.721 -178.079 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 26.2 tpt180 . . . . . 0 N--CA 1.452 -0.325 0 CA-C-O 121.445 0.64 . . . . 6.45 110.411 178.711 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 . . . . . 0 N--CA 1.452 -0.361 0 N-CA-C 109.495 -0.557 . . . . 2.19 109.495 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -58.41 -38.49 90.08 Favored 'Trans proline' 0 C--N 1.349 0.581 0 C-N-CA 122.835 2.357 . . . . 1.75 112.402 -178.148 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.463 ' O ' ' HB2' ' A' ' 18' ' ' ARG . 66.0 mt -67.23 -32.8 74.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.43 -0.35 . . . . 1.38 110.074 -179.492 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -74.5 -41.64 60.32 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.245 -0.434 . . . . 3.13 111.129 178.5 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.78 -45.73 88.45 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.845 0.355 . . . . 1.28 110.32 176.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 53.8 tp -65.94 -35.06 79.58 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.94 -0.573 . . . . 1.67 110.756 177.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.463 ' HB2' ' O ' ' A' ' 14' ' ' LEU . 57.4 ttt180 -57.19 -36.24 70.59 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.362 -0.381 . . . . 3.84 110.737 -178.52 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 41.9 ttp180 -64.09 -44.48 92.22 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.071 0.462 . . . . 4.35 110.189 176.658 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 73.0 ttt180 -70.17 -35.32 73.91 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.715 -0.675 . . . . 4.64 110.615 179.391 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 92.7 m-20 -63.71 -41.66 98.07 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 120.848 0.356 . . . . 1.34 110.334 175.779 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -64.27 -32.43 74.02 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.098 -0.501 . . . . 3.26 110.444 178.441 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 17.3 tp10 -62.58 -45.64 92.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.244 0.545 . . . . 2.14 110.044 176.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 84.7 mt -67.27 -41.93 84.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.798 -0.637 . . . . 1.23 110.487 178.028 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 28.3 ttpp -60.45 -38.97 85.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.815 -0.629 . . . . 2.44 111.163 -177.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 56.2 tt0 -61.39 -45.0 96.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.376 0.607 . . . . 3.17 110.341 178.569 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 -61.91 -42.79 99.5 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.141 -0.936 . . . . 1.91 110.815 178.507 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 75.6 t -57.51 -49.11 81.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.099 -0.5 . . . . 1.15 111.438 176.401 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -63.49 -38.95 93.09 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 120.596 0.236 . . . . 1.21 111.238 -179.082 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 29.6 t -63.31 -35.87 81.8 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.099 0.476 . . . . 1.9 110.389 178.653 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 38.2 tp -70.33 -45.6 65.85 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.031 -0.531 . . . . 1.8 110.133 -179.71 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 94.4 mt -60.6 -34.6 74.45 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.491 -0.777 . . . . 1.39 111.118 178.442 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 32.3 t -67.89 -46.73 70.8 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.354 -0.384 . . . . 1.9 110.432 179.341 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -66.64 -27.79 67.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.907 0.384 . . . . 1.86 111.001 179.063 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 32.4 t -62.14 -23.98 66.89 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.876 -0.602 . . . . 1.94 111.874 179.2 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 58.3 tp60 -89.41 -17.25 29.14 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.022 0.439 . . . . 3.55 110.588 -177.116 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 93.9 mt -66.5 130.0 41.73 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.835 -0.621 . . . . 1.43 110.716 -176.396 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 22.1 pttp -67.94 -28.15 67.23 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.854 -0.612 . . . . 4.11 110.595 179.764 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -67.7 -20.17 65.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 3.24 110.901 175.541 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -86.46 0.8 53.41 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.147 -0.479 . . . . 1.64 111.404 -177.731 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 61.5 tp -68.15 -15.78 63.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.114 -0.494 . . . . 3.2 110.654 178.1 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.458 ' OE1' ' HD2' ' A' ' 43' ' ' PRO . 16.6 tp10 -51.06 121.09 15.1 Favored Pre-proline 0 C--N 1.331 -0.228 0 CA-C-N 115.754 -0.657 . . . . 3.43 110.168 174.551 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.458 ' HD2' ' OE1' ' A' ' 42' ' ' GLU . 76.9 Cg_exo -51.32 -32.95 43.65 Favored 'Trans proline' 0 C--N 1.35 0.627 0 C-N-CA 123.193 2.595 . . . . 2.0 113.45 -178.791 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 -72.68 -33.29 66.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.178 0.513 . . . . 2.03 110.137 178.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 22.5 tptm -76.35 -36.12 58.37 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.87 -0.604 . . . . 2.52 109.804 177.15 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.421 ' HG3' ' O ' ' A' ' 42' ' ' GLU . 19.7 mtm180 -61.77 -42.6 99.19 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.478 -0.328 . . . . 4.27 110.331 177.397 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 -65.69 -35.61 81.25 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.92 0.391 . . . . 3.02 110.629 175.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.42 ' O ' ' HG2' ' A' ' 52' ' ' ARG . 17.5 t60 -66.23 -40.26 90.13 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.891 -0.595 . . . . 1.15 109.716 178.409 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 79.1 mt -67.02 -44.02 88.62 Favored 'Isoleucine or valine' 0 C--O 1.233 0.224 0 CA-C-N 116.03 -0.532 . . . . 1.37 110.381 176.79 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 59.5 t80 -58.87 -41.1 86.25 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.175 -0.466 . . . . 0.97 110.491 177.696 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 49.5 tp60 -67.76 -38.83 83.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.074 -0.512 . . . . 1.98 110.458 -179.736 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.518 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 28.4 mmt180 -62.99 -40.23 97.12 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.391 -0.368 . . . . 4.54 110.447 177.005 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . 0.658 ' SG ' ' HB3' ' A' ' 100' ' ' LEU . 46.4 t -57.83 -40.42 79.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.483 -0.326 . . . . 1.09 111.054 175.903 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 64.5 mt -71.04 -40.06 75.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 121.416 0.627 . . . . 1.17 110.039 179.099 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 49.8 tt0 -60.99 -46.87 88.99 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.249 -0.887 . . . . 3.22 111.159 178.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.518 ' HG ' ' O ' ' A' ' 52' ' ' ARG . 77.2 mt -70.4 -34.87 73.05 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.403 -0.362 . . . . 1.07 110.49 -177.839 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 23.1 ttmm -57.3 -38.63 74.28 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.062 0.458 . . . . 2.42 110.248 177.599 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 -72.0 -39.59 69.13 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.702 -0.681 . . . . 2.95 110.344 179.603 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.71 -42.14 91.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.57 -0.741 . . . . 1.07 111.232 179.224 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.421 HG13 ' O ' ' A' ' 56' ' ' LEU . 86.7 mt -65.47 -41.21 90.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 121.067 0.461 . . . . 1.16 110.119 178.129 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -59.72 -36.59 76.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.656 -0.702 . . . . 0.64 110.341 177.075 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -62.25 -45.86 91.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.74 -0.664 . . . . 2.28 110.551 179.611 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -63.61 -43.5 96.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.347 -0.388 . . . . 1.6 110.522 177.524 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -55.85 -41.27 74.08 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.752 -0.658 . . . . 2.04 110.82 176.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -69.77 -41.96 74.47 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.192 -0.458 . . . . 1.94 110.979 178.26 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.13 -45.93 89.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.033 0.444 . . . . 1.16 110.517 177.643 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 46.0 tp -63.1 -29.19 70.61 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.399 -0.819 . . . . 1.26 111.135 178.608 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -76.24 -23.5 54.52 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.049 -0.523 . . . . 2.3 109.905 -177.611 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 62.0 tttm . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.064 -0.516 . . . . 3.1 109.865 176.304 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 26.4 t80 . . . . . 0 C--O 1.231 0.118 0 N-CA-C 109.508 -0.553 . . . . 1.82 109.508 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 92.7 m-20 -70.93 -35.71 72.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.985 -0.552 . . . . 2.11 110.971 -178.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . 0.404 ' HA ' ' OE1' ' A' ' 84' ' ' GLN . 6.9 tp60 -70.65 -50.21 39.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.143 -0.48 . . . . 4.28 110.972 179.812 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.456 ' O ' ' HG2' ' A' ' 89' ' ' GLU . 41.3 ttt180 -64.68 -28.32 69.53 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.877 0.37 . . . . 4.1 110.465 -179.446 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 29.5 ttmt -56.81 -40.68 76.43 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.971 -0.558 . . . . 2.82 110.358 179.621 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 25.9 mm-40 -72.09 -33.39 67.84 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.599 -0.728 . . . . 2.94 110.676 178.566 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -65.63 -38.09 88.4 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.266 -0.425 . . . . 2.99 110.691 176.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.456 ' HG2' ' O ' ' A' ' 85' ' ' ARG . 5.4 mm-40 -65.54 -36.13 82.89 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.828 -0.434 . . . . 1.83 109.828 176.206 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 8.0 m-70 -58.29 -45.18 88.42 Favored 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 109.625 -0.509 . . . . 0.66 109.625 171.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 30.1 m -62.31 -42.69 99.58 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 115.244 -0.889 . . . . 1.39 111.104 -177.556 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 66.7 tp -57.15 -50.35 73.1 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 116.671 -0.241 . . . . 1.22 111.636 177.553 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 95.1 mt -64.28 -38.22 90.28 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.397 0.618 . . . . 1.34 110.438 -179.162 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -67.57 -28.16 67.54 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.375 -0.829 . . . . 0.82 110.523 177.391 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 63.1 tttp -75.59 -41.84 53.5 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.08 -0.711 . . . . 2.77 109.08 -175.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 81.8 mt -65.65 -35.26 80.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.284 -0.871 . . . . 1.14 109.993 178.626 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 62.4 m -67.39 -38.94 85.48 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 115.832 -0.622 . . . . 1.16 109.721 179.052 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 61.3 tt0 -62.09 -43.58 98.53 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.698 -0.683 . . . . 3.1 111.052 179.347 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 12.4 mm100 -61.46 -41.04 96.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.387 -0.369 . . . . 2.67 110.906 -179.621 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.658 ' HB3' ' SG ' ' A' ' 53' ' ' CYS . 92.9 mt -71.35 -35.47 71.17 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.049 -0.523 . . . . 1.16 110.674 178.327 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 22.5 tm0? -64.91 -31.89 73.34 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.507 -0.769 . . . . 2.34 110.759 -178.248 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -73.18 -39.86 51.59 Favored Glycine 0 N--CA 1.449 -0.498 0 N-CA-C 110.429 -1.068 . . . . 0.51 110.429 -178.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.415 ' O ' HG13 ' A' ' 107' ' ' ILE . 60.7 tp -70.73 -44.2 67.34 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 114.807 -0.697 . . . . 1.33 110.786 179.154 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.49 ' HB3' ' SG ' ' A' ' 53' ' ' CYS . . . -55.25 -46.1 76.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.017 -0.538 . . . . 1.11 111.705 -176.076 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 88.1 t -65.39 -39.33 84.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-O 121.057 0.456 . . . . 1.27 110.719 179.367 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 91.4 m -65.39 -34.88 79.34 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.04 -0.527 . . . . 1.27 111.275 179.585 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . 0.415 HG13 ' O ' ' A' ' 103' ' ' LEU . 66.3 mt -79.65 -27.86 12.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.786 0.327 . . . . 1.31 111.528 179.698 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 9.4 p -86.5 -20.28 28.28 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.377 0.608 . . . . 1.81 109.83 -174.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 26.3 ttm180 . . . . . 0 N--CA 1.449 -0.51 0 CA-C-N 115.5 -0.773 . . . . 6.45 109.226 173.815 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 . . . . . 0 CA--C 1.519 -0.227 0 CA-C-O 120.74 0.305 . . . . 2.19 110.45 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_exo -60.63 -29.45 88.47 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.526 2.151 . . . . 1.75 111.589 178.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 95.9 mt -63.27 -37.54 87.66 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.885 -0.598 . . . . 1.38 110.539 176.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -67.38 -42.51 83.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 3.13 110.557 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.13 -44.32 80.18 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.093 0.473 . . . . 1.28 110.601 177.269 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.422 HD21 ' HB2' ' A' ' 67' ' ' LEU . 53.8 tp -63.28 -39.53 94.83 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.721 -0.672 . . . . 1.67 111.647 179.807 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 26.6 ttm180 -59.09 -33.14 70.47 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 120.795 0.331 . . . . 3.84 110.797 178.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 71.8 ttt180 -66.91 -44.38 80.89 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.865 -0.42 . . . . 4.35 109.865 174.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.465 ' HG3' HD22 ' A' ' 63' ' ' ASN . 30.2 tpt180 -64.84 -36.98 86.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.951 -0.568 . . . . 4.64 110.221 179.08 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 -65.59 -37.87 87.89 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.34 -0.391 . . . . 1.34 110.674 175.369 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 48.4 tt0 -66.46 -30.16 70.44 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.433 -0.349 . . . . 3.26 110.37 178.454 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.453 ' O ' ' HG3' ' A' ' 27' ' ' GLN . 43.4 mt-10 -65.64 -46.15 80.33 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.243 -0.651 . . . . 2.14 109.243 178.025 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.414 ' O ' HG22 ' A' ' 28' ' ' VAL . 65.0 mt -66.7 -35.42 80.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.559 -0.746 . . . . 1.23 110.318 178.065 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -58.21 -42.9 87.22 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.211 -0.449 . . . . 2.44 110.09 177.662 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -67.86 -34.96 77.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.045 -0.525 . . . . 3.17 110.587 179.364 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.453 ' HG3' ' O ' ' A' ' 23' ' ' GLU . 28.2 mt-30 -68.7 -34.72 76.14 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.885 -0.598 . . . . 1.91 110.17 -179.451 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.414 HG22 ' O ' ' A' ' 24' ' ' LEU . 77.7 t -68.97 -46.11 79.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 115.948 -0.569 . . . . 1.15 110.283 176.733 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -59.91 -38.66 82.92 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 116.324 -0.398 . . . . 1.21 110.522 177.425 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 22.9 t -62.85 -43.55 98.49 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.174 -0.466 . . . . 1.9 109.992 177.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 61.8 tp -58.75 -48.49 81.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.864 0.364 . . . . 1.8 110.26 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 96.7 mt -60.73 -33.56 73.1 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.603 -0.726 . . . . 1.39 111.03 -179.626 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 23.1 m -67.55 -41.59 84.01 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.266 -0.425 . . . . 1.9 110.93 179.111 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -77.16 -26.13 52.69 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.058 0.456 . . . . 1.86 111.254 -178.586 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 53.7 m -71.56 -12.74 61.52 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 112.335 0.494 . . . . 1.94 112.335 -174.008 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.493 ' HA ' ' OE1' ' A' ' 36' ' ' GLN . 11.7 mm-40 -104.63 8.91 35.37 Favored 'General case' 0 C--N 1.327 -0.377 0 O-C-N 122.078 -0.389 . . . . 3.55 110.96 -177.323 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 91.2 mt -76.33 141.31 41.61 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.398 -0.364 . . . . 1.43 110.394 -179.734 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -71.73 -30.69 65.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 4.11 110.239 177.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -70.43 -17.68 63.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.992 -0.549 . . . . 3.24 110.727 177.612 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.409 ' HB3' HD12 ' A' ' 49' ' ' ILE . . . -79.17 -0.17 30.78 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.168 -0.469 . . . . 1.64 110.823 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 43.2 tp -75.0 -15.31 60.66 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.922 -0.581 . . . . 3.2 110.453 177.049 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 30.0 mm-40 -63.33 138.69 97.42 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.205 -0.452 . . . . 3.43 110.674 -179.139 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 10.5 Cg_endo -52.67 -48.75 20.34 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.359 2.039 . . . . 2.0 113.436 -171.767 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 56.3 m-80 -72.75 -44.81 61.16 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.625 0.25 . . . . 2.03 110.848 -176.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 69.9 tttt -64.97 -31.84 73.27 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.786 0.327 . . . . 2.52 110.848 -179.51 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 26.8 ttm180 -61.64 -40.08 93.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.127 0.489 . . . . 4.27 110.023 175.368 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.45 ' HA ' HE21 ' A' ' 47' ' ' GLN . 0.0 OUTLIER -68.78 -31.0 69.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.93 -0.577 . . . . 3.02 110.631 177.098 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 46.7 t60 -61.1 -34.65 75.27 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.312 -0.403 . . . . 1.15 110.418 179.16 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.409 HD12 ' HB3' ' A' ' 40' ' ' ALA . 78.5 mt -64.76 -49.73 78.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.985 0.422 . . . . 1.37 110.116 175.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 44.1 t80 -54.63 -40.27 68.79 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 115.821 -0.627 . . . . 0.97 110.852 174.539 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 40.9 tp60 -64.42 -41.57 96.53 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.277 -0.42 . . . . 1.98 110.447 178.534 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.618 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 75.2 mtt180 -60.75 -40.43 92.46 Favored 'General case' 0 CA--C 1.516 -0.335 0 CA-C-N 116.223 -0.444 . . . . 4.54 110.581 176.849 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . 0.644 ' SG ' ' HB1' ' A' ' 104' ' ' ALA . 45.8 t -64.3 -44.25 92.18 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.513 -0.767 . . . . 1.09 110.512 -175.097 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 69.1 mt -58.37 -43.56 86.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.165 -0.47 . . . . 1.17 111.161 178.245 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -64.01 -49.49 72.21 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.18 -0.464 . . . . 3.22 111.266 -179.317 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.618 ' HG ' ' O ' ' A' ' 52' ' ' ARG . 43.9 mt -61.02 -36.82 80.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.341 -0.39 . . . . 1.07 111.645 179.321 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 60.9 tttp -62.27 -46.61 88.01 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.121 0.486 . . . . 2.42 110.15 179.215 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 8.3 tp-100 -61.3 -37.35 82.91 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.581 -0.736 . . . . 2.95 110.895 177.642 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.16 -40.54 94.48 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.266 -0.425 . . . . 1.07 111.473 179.156 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 74.9 mt -63.45 -40.74 90.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 121.096 0.474 . . . . 1.16 110.11 177.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -62.58 -36.38 82.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.732 -0.667 . . . . 0.64 110.153 178.687 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -61.37 -45.42 94.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.851 -0.613 . . . . 2.28 110.444 178.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . 0.465 HD22 ' HG3' ' A' ' 20' ' ' ARG . 5.9 m-20 -66.58 -42.24 87.29 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.03 -0.532 . . . . 1.6 110.529 178.281 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -58.53 -42.32 87.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 2.04 110.579 177.342 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 95.5 m-20 -66.08 -36.86 84.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.106 -0.497 . . . . 1.94 110.939 179.378 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -64.39 -46.39 83.52 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.115 0.483 . . . . 1.16 110.448 177.58 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.422 ' HB2' HD21 ' A' ' 17' ' ' LEU . 32.7 tp -67.63 -43.44 80.39 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.73 -0.668 . . . . 1.26 111.093 -179.016 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 27.8 tt0 -64.66 -22.05 66.88 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.003 0.43 . . . . 2.3 111.261 178.046 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 64.2 tttp . . . . . 0 C--N 1.327 -0.41 0 CA-C-O 121.329 0.585 . . . . 3.1 109.875 176.269 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 11.8 t80 . . . . . 0 CA--C 1.53 0.178 0 CA-C-O 120.836 0.35 . . . . 1.82 110.129 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 -69.76 -46.43 65.84 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.163 -0.471 . . . . 2.11 110.729 -178.19 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . 0.533 ' O ' ' HG2' ' A' ' 88' ' ' GLU . 57.6 tp60 -71.37 -43.73 66.37 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.994 -0.548 . . . . 4.28 111.106 -175.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 9.8 ttm180 -62.59 -33.98 76.08 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.128 0.489 . . . . 4.1 109.996 -175.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 29.0 ttmt -64.08 -41.5 97.29 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.612 -0.722 . . . . 2.82 110.435 177.689 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -72.35 -34.82 68.29 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.198 -0.456 . . . . 2.94 110.722 178.089 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.533 ' HG2' ' O ' ' A' ' 84' ' ' GLN . 23.0 mm-40 -57.38 -42.26 81.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.088 -0.505 . . . . 2.99 111.017 -178.273 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -65.47 -40.01 92.63 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.349 -0.387 . . . . 1.83 110.339 179.163 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 33.5 m-70 -60.94 -45.59 94.09 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 120.847 0.356 . . . . 0.66 110.285 176.133 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 21.4 m -64.48 -37.85 88.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.997 -0.547 . . . . 1.39 111.192 -178.687 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.402 ' O ' ' HG ' ' A' ' 96' ' ' LEU . 53.0 tp -70.02 -51.67 30.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.344 -0.389 . . . . 1.22 110.828 -178.415 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 99.2 mt -63.76 -33.4 75.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.258 -0.428 . . . . 1.34 111.071 -176.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.464 ' O ' ' HG3' ' A' ' 98' ' ' GLN . 18.5 t70 -68.97 -45.09 71.56 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.473 -0.331 . . . . 0.82 110.806 -178.155 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.417 ' O ' ' HG3' ' A' ' 99' ' ' GLN . 26.7 tptp -63.73 -40.78 97.58 Favored 'General case' 0 C--N 1.334 -0.089 0 CA-C-O 120.771 0.32 . . . . 2.77 110.468 179.66 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.402 ' HG ' ' O ' ' A' ' 92' ' ' LEU . 94.7 mt -59.47 -41.58 90.09 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.134 -0.485 . . . . 1.14 110.472 175.6 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 37.0 m -58.59 -40.57 83.56 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.425 -0.352 . . . . 1.16 110.786 174.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . 0.464 ' HG3' ' O ' ' A' ' 94' ' ' ASP . 74.6 mt-30 -62.25 -43.08 99.65 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.322 -0.399 . . . . 3.1 110.765 178.772 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.417 ' HG3' ' O ' ' A' ' 95' ' ' LYS . 78.1 mt-30 -61.84 -49.15 77.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.914 -0.584 . . . . 2.67 111.093 -178.764 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.444 ' HB3' ' SG ' ' A' ' 53' ' ' CYS . 76.7 mt -69.37 -47.9 62.87 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.897 -0.592 . . . . 1.16 111.06 -174.252 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 56.5 tp60 -62.39 -41.3 98.54 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.187 -0.46 . . . . 2.34 110.229 -178.305 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -63.79 -42.95 98.36 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.937 -0.649 . . . . 0.51 111.962 177.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.4 ' O ' HG13 ' A' ' 107' ' ' ILE . 61.3 tp -69.21 -44.83 71.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.542 0.21 . . . . 1.33 110.942 -179.515 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.644 ' HB1' ' SG ' ' A' ' 53' ' ' CYS . . . -55.66 -46.34 77.52 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.005 0.431 . . . . 1.11 111.323 -177.401 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 83.7 t -66.47 -38.04 80.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.787 -0.642 . . . . 1.27 110.984 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 38.5 m -64.33 -32.8 74.55 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.956 0.407 . . . . 1.27 111.113 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . 0.4 HG13 ' O ' ' A' ' 103' ' ' LEU . 76.0 mt -79.14 -42.71 23.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 116.415 -0.357 . . . . 1.31 111.215 -179.36 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 11.2 p -81.7 -27.54 33.9 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.381 -0.372 . . . . 1.81 111.872 -173.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 95.8 mtt180 . . . . . 0 C--N 1.327 -0.401 0 C-N-CA 120.978 -0.289 . . . . 6.45 110.32 177.257 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.8 t0 . . . . . 0 N--CA 1.466 0.331 0 CA-C-O 120.818 0.342 . . . . 2.19 110.312 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_exo -61.16 -29.37 86.84 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.632 2.221 . . . . 1.75 111.977 -179.471 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 74.7 mt -62.47 -45.35 93.45 Favored 'General case' 0 C--O 1.223 -0.293 0 CA-C-N 116.113 -0.494 . . . . 1.38 110.448 179.561 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.52 ' O ' ' HG2' ' A' ' 19' ' ' ARG . 7.8 tt0 -60.13 -46.44 89.63 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.517 -0.31 . . . . 3.13 110.864 178.394 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.78 -45.97 87.35 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.895 0.379 . . . . 1.28 110.931 -178.776 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 28.2 tp -65.49 -36.37 83.66 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.043 -0.526 . . . . 1.67 110.458 177.403 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 49.0 ttp180 -61.08 -33.78 73.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.163 -0.471 . . . . 3.84 110.43 177.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.52 ' HG2' ' O ' ' A' ' 15' ' ' GLN . 27.8 mmm180 -63.7 -39.97 95.64 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.899 -0.408 . . . . 4.35 109.899 176.22 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 78.4 ttt180 -67.92 -41.12 83.12 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 115.696 -0.684 . . . . 4.64 110.561 177.164 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -65.99 -40.46 91.2 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 116.402 -0.363 . . . . 1.34 111.093 177.231 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 49.2 tt0 -62.18 -31.84 72.4 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 121.086 0.47 . . . . 3.26 110.464 178.693 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -66.44 -47.52 72.92 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.635 -0.711 . . . . 2.14 109.529 -179.555 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.476 ' O ' HG22 ' A' ' 28' ' ' VAL . 78.8 mt -66.67 -38.01 85.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.89 -0.595 . . . . 1.23 110.665 176.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -58.27 -44.85 88.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.416 -0.357 . . . . 2.44 110.406 179.496 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.431 ' HA ' ' OE1' ' A' ' 26' ' ' GLN . 6.8 tp60 -65.12 -34.23 77.91 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-O 121.139 0.495 . . . . 3.17 110.311 179.186 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -69.64 -33.52 72.73 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.935 -0.575 . . . . 1.91 110.406 178.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.476 HG22 ' O ' ' A' ' 24' ' ' LEU . 90.8 t -68.02 -45.52 83.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 N-CA-C 110.004 -0.369 . . . . 1.15 110.004 177.552 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -58.5 -36.64 74.11 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 121.074 0.464 . . . . 1.21 110.481 175.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 41.2 m -69.0 -39.08 79.55 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.837 -0.62 . . . . 1.9 110.855 179.589 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -63.67 -48.58 76.61 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 109.258 -0.645 . . . . 1.8 109.258 178.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 92.2 mt -60.39 -35.57 76.05 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.702 -0.681 . . . . 1.39 111.013 178.692 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 32.1 t -61.72 -41.92 98.26 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.285 -0.416 . . . . 1.9 110.439 179.412 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -76.34 -34.19 58.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.202 0.525 . . . . 1.86 110.226 -179.464 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 33.1 t -71.59 -11.13 60.7 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.556 -0.747 . . . . 1.94 110.877 179.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -97.22 -10.01 26.64 Favored 'General case' 0 N--CA 1.45 -0.468 0 N-CA-C 109.1 -0.704 . . . . 3.55 109.1 -175.446 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 85.0 mt -72.69 138.3 46.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.435 -0.802 . . . . 1.43 110.063 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 52.7 mttm -71.9 -29.84 64.75 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.636 -0.711 . . . . 4.11 109.962 179.65 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -69.36 -17.71 63.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.489 -0.778 . . . . 3.24 110.571 176.693 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -81.58 -0.1 40.71 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.15 -0.477 . . . . 1.64 111.636 -176.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 39.9 tp -75.43 -11.25 60.0 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.206 0.527 . . . . 3.2 109.822 174.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -58.95 116.77 16.83 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 115.424 -0.807 . . . . 3.43 109.751 173.549 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_exo -50.57 -30.67 28.9 Favored 'Trans proline' 0 C--N 1.352 0.718 0 C-N-CA 123.272 2.648 . . . . 2.0 113.597 -177.592 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 80.2 m-20 -69.57 -48.41 60.35 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.911 -0.316 . . . . 2.03 110.425 179.424 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.482 ' HZ2' ' HB2' ' A' ' 45' ' ' LYS . 0.0 OUTLIER -69.67 -39.45 77.02 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.071 0.463 . . . . 2.52 110.468 177.614 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 38.6 ttt180 -56.42 -39.04 72.4 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.289 -0.868 . . . . 4.27 110.658 178.32 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 26.4 tp60 -62.89 -41.12 99.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.791 -0.641 . . . . 3.02 110.391 176.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 10.5 t60 -70.12 -37.31 75.29 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.643 -0.708 . . . . 1.15 110.186 -178.624 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 65.8 mt -65.22 -44.59 95.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.302 -0.408 . . . . 1.37 110.626 178.616 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 44.9 t80 -53.91 -40.39 66.64 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.324 -0.398 . . . . 0.97 110.954 175.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.417 ' O ' ' HG2' ' A' ' 55' ' ' GLN . 59.8 tp60 -65.39 -46.39 80.25 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.821 0.343 . . . . 1.98 110.551 179.741 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.488 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 98.9 mtt180 -62.58 -34.97 78.06 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.223 -0.444 . . . . 4.54 111.063 178.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 42.0 t -63.61 -44.65 93.36 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.634 -0.506 . . . . 1.09 109.634 179.047 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 72.2 mt -60.16 -44.33 95.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 115.856 -0.611 . . . . 1.17 111.077 176.412 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.417 ' HG2' ' O ' ' A' ' 51' ' ' GLN . 15.8 mm100 -61.05 -49.9 75.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.436 -0.347 . . . . 3.22 111.117 -178.112 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.488 ' HG ' ' O ' ' A' ' 52' ' ' ARG . 68.8 mt -62.04 -37.94 86.84 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.28 -0.418 . . . . 1.07 111.373 177.893 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 27.9 ttpp -64.17 -40.19 95.61 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.033 0.444 . . . . 2.42 109.964 -179.498 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 57.5 mt-30 -66.74 -35.11 79.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.97 -0.559 . . . . 2.95 110.93 174.599 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -68.89 -41.96 77.58 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.387 -0.369 . . . . 1.07 111.34 -179.259 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 73.4 mt -66.98 -40.95 86.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 121.181 0.515 . . . . 1.16 109.98 177.354 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -59.9 -37.65 80.01 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.509 -0.769 . . . . 0.64 110.04 176.292 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -61.13 -47.51 85.9 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.496 -0.774 . . . . 2.28 110.454 177.385 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -63.47 -42.44 98.6 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.426 -0.352 . . . . 1.6 110.532 177.337 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 22.2 ttmm -57.66 -47.01 83.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 2.04 110.91 179.089 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 34.5 m-80 -69.47 -36.32 76.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 1.94 111.302 -178.438 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -67.77 -41.94 82.49 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.003 0.43 . . . . 1.16 110.357 177.276 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 61.1 tp -62.95 -46.38 88.03 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.761 -0.654 . . . . 1.26 111.163 179.277 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -65.93 -28.99 69.34 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.905 0.383 . . . . 2.3 111.123 -178.056 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 47.3 tttp . . . . . 0 C--N 1.326 -0.447 0 CA-C-N 116.216 -0.447 . . . . 3.1 110.663 -178.747 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 41.1 t80 . . . . . 0 C--O 1.232 0.139 0 N-CA-C 109.504 -0.554 . . . . 1.82 109.504 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 78.4 m-20 -69.71 -27.53 65.06 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.832 -0.622 . . . . 2.11 110.997 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 13.9 mm100 -68.84 -40.72 79.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.318 -0.401 . . . . 4.28 111.671 -178.087 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 47.2 mtm180 -74.71 -31.38 61.85 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-O 121.29 0.567 . . . . 4.1 109.682 176.114 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.431 ' HA ' ' OE1' ' A' ' 89' ' ' GLU . 17.4 ttmm -65.08 -33.87 77.07 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.323 -0.853 . . . . 2.82 110.234 175.211 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -60.38 -39.71 88.24 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.602 -0.726 . . . . 2.94 109.91 176.266 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 34.2 mm-40 -61.45 -32.17 72.15 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 115.967 -0.561 . . . . 2.99 111.199 178.36 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.431 ' OE1' ' HA ' ' A' ' 86' ' ' LYS . 31.1 mt-10 -61.62 -46.38 90.08 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 109.525 -0.546 . . . . 1.83 109.525 178.341 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 40.2 m-70 -66.71 -44.26 82.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.597 -0.729 . . . . 0.66 110.656 179.451 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 26.0 m -59.08 -44.64 91.9 Favored 'General case' 0 C--N 1.328 -0.334 0 O-C-N 123.402 0.439 . . . . 1.39 111.203 179.532 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.483 ' O ' ' HG ' ' A' ' 96' ' ' LEU . 56.0 tp -68.34 -50.6 52.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 1.22 110.994 -176.146 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 94.8 mt -67.96 -32.26 72.56 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.197 -0.456 . . . . 1.34 111.32 -176.38 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -64.4 -47.25 79.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.674 -0.239 . . . . 0.82 111.538 -175.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.478 ' HB3' ' HZ1' ' A' ' 95' ' ' LYS . 7.9 ttpm? -71.52 -34.96 70.53 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 121.186 -0.206 . . . . 2.77 110.906 -178.615 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.483 ' HG ' ' O ' ' A' ' 92' ' ' LEU . 98.3 mt -59.14 -45.3 91.31 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 110.185 -0.302 . . . . 1.14 110.185 173.695 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 25.0 m -60.13 -45.66 92.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.312 -0.404 . . . . 1.16 110.992 176.068 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 44.1 tt0 -60.62 -44.89 95.8 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-O 120.929 0.395 . . . . 3.1 111.155 179.511 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.522 HE21 ' HA ' ' A' ' 99' ' ' GLN . 0.0 OUTLIER -59.26 -47.67 84.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.797 -0.638 . . . . 2.67 111.211 -178.268 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 74.2 mt -73.72 -44.39 56.51 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.29 -0.414 . . . . 1.16 111.593 -176.552 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 24.9 tm0? -61.27 -44.35 97.38 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 110.13 -0.322 . . . . 2.34 110.13 -177.563 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -65.71 -42.9 95.06 Favored Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 120.581 -0.818 . . . . 0.51 111.966 178.115 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.453 ' O ' HG13 ' A' ' 107' ' ' ILE . 49.8 tp -65.97 -43.69 87.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.491 0.186 . . . . 1.33 110.923 -178.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -56.22 -44.74 79.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.31 -0.404 . . . . 1.11 111.354 -178.126 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 93.8 t -67.9 -38.68 80.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 121.026 0.441 . . . . 1.27 110.497 178.34 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 86.9 m -64.23 -35.71 81.7 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.937 -0.574 . . . . 1.27 111.042 178.632 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . 0.453 HG13 ' O ' ' A' ' 103' ' ' LEU . 84.0 mt -75.46 -42.33 42.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 1.31 111.22 179.823 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 12.7 p -78.58 -14.19 59.45 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.867 0.365 . . . . 1.81 111.432 -174.61 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 88.5 mtt180 . . . . . 0 C--N 1.325 -0.48 0 CA-C-O 121.099 0.476 . . . . 6.45 110.0 179.645 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 30.3 t70 . . . . . 0 C--O 1.235 0.292 0 N-CA-C 109.474 -0.565 . . . . 2.19 109.474 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -55.02 -27.63 55.8 Favored 'Trans proline' 0 C--N 1.349 0.564 0 C-N-CA 123.234 2.623 . . . . 1.75 112.079 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 79.6 mt -56.52 -42.26 78.11 Favored 'General case' 0 C--O 1.218 -0.582 0 CA-C-N 115.917 -0.583 . . . . 1.38 111.175 -179.733 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 6.6 tp60 -59.74 -48.62 80.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.626 0.251 . . . . 3.13 111.251 -179.65 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.96 -45.61 73.7 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.002 0.429 . . . . 1.28 110.959 -178.454 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 30.5 tp -66.35 -36.94 84.18 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.991 -0.549 . . . . 1.67 110.935 179.515 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.486 ' O ' ' HG3' ' A' ' 22' ' ' GLN . 42.6 ttp180 -59.8 -42.8 94.23 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.545 -0.298 . . . . 3.84 110.526 176.636 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 73.0 ttt180 -58.85 -40.28 83.8 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.155 0.502 . . . . 4.35 109.721 178.005 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -66.21 -42.21 89.06 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.507 -0.77 . . . . 4.64 110.543 176.315 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -61.0 -42.25 98.09 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-O 120.868 0.366 . . . . 1.34 110.679 176.422 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.486 ' HG3' ' O ' ' A' ' 18' ' ' ARG . 97.6 mt-30 -62.29 -31.42 72.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.083 -0.508 . . . . 3.26 110.572 178.506 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -70.21 -43.18 71.2 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.017 -0.538 . . . . 2.14 109.695 178.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 87.3 mt -66.06 -37.28 85.42 Favored 'General case' 0 CA--C 1.52 -0.203 0 CA-C-N 115.921 -0.581 . . . . 1.23 110.444 175.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.412 ' HG2' ' OD2' ' A' ' 29' ' ' ASP . 60.6 tttm -59.36 -40.69 87.25 Favored 'General case' 0 C--O 1.225 -0.215 0 CA-C-N 116.536 -0.302 . . . . 2.44 110.396 177.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.443 ' HG2' ' O ' ' A' ' 22' ' ' GLN . 18.3 mm-40 -60.25 -35.2 74.95 Favored 'General case' 0 C--O 1.231 0.126 0 CA-C-O 121.19 0.519 . . . . 3.17 110.493 177.6 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -71.54 -37.67 71.12 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.857 -0.611 . . . . 1.91 110.044 179.626 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 97.9 t -69.69 -48.74 63.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.85 -0.614 . . . . 1.15 110.382 -179.688 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.412 ' OD2' ' HG2' ' A' ' 25' ' ' LYS . 31.9 m-20 -58.46 -37.13 74.84 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.07 -0.514 . . . . 1.21 110.827 -179.542 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 23.0 t -66.11 -42.21 89.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.395 -0.366 . . . . 1.9 110.275 177.627 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 57.2 tp -66.8 -40.49 88.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.792 0.33 . . . . 1.8 110.509 -176.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 89.1 mt -68.27 -44.19 76.11 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.318 -0.401 . . . . 1.39 110.737 -177.272 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 12.5 p -67.21 -31.5 71.93 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.133 -0.485 . . . . 1.9 111.246 -179.24 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -75.44 -29.89 59.82 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 121.326 0.584 . . . . 1.86 109.737 178.434 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 51.8 m -73.66 -10.49 59.75 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.575 -0.739 . . . . 1.94 111.386 178.358 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 99.0 mt-30 -104.04 7.26 36.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.207 0.527 . . . . 3.55 110.07 -175.484 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 78.4 mt -77.85 147.62 35.07 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.456 -0.793 . . . . 1.43 109.831 177.719 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 61.9 tttm -67.71 -30.92 70.54 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.027 0.442 . . . . 4.11 110.149 178.266 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -71.59 -18.59 62.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.212 -0.449 . . . . 3.24 110.56 177.13 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -82.21 -0.42 45.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.056 -0.52 . . . . 1.64 110.955 -178.163 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 56.0 tp -69.39 -15.45 63.31 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.315 0.579 . . . . 3.2 109.659 174.528 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 -66.15 115.65 25.55 Favored Pre-proline 0 C--N 1.327 -0.398 0 CA-C-N 115.074 -0.966 . . . . 3.43 110.18 176.638 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.471 ' O ' ' HG3' ' A' ' 47' ' ' GLN . 11.1 Cg_endo -54.79 -30.93 69.93 Favored 'Trans proline' 0 C--N 1.35 0.656 0 C-N-CA 123.096 2.53 . . . . 2.0 112.853 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -64.14 -43.2 95.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.658 0.266 . . . . 2.03 110.592 179.009 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 4.5 tppp? -72.08 -33.65 68.06 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.952 0.406 . . . . 2.52 110.377 176.69 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 41.9 ttm180 -57.8 -36.22 71.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.795 -0.639 . . . . 4.27 110.898 178.578 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.471 ' HG3' ' O ' ' A' ' 43' ' ' PRO . 69.5 mt-30 -61.56 -40.09 93.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.934 -0.575 . . . . 3.02 110.703 177.097 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 21.0 t60 -64.94 -34.97 79.68 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.632 -0.713 . . . . 1.15 109.851 179.679 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 85.3 mt -67.56 -47.16 81.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.782 -0.645 . . . . 1.37 110.976 -179.588 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 48.3 t80 -54.36 -40.82 68.48 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.417 -0.356 . . . . 0.97 111.431 178.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.458 ' O ' ' HG3' ' A' ' 55' ' ' GLN . 54.8 tp60 -62.5 -46.11 89.92 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.392 -0.367 . . . . 1.98 110.67 179.595 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.427 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 23.8 mmt180 -67.46 -31.63 71.92 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.291 -0.413 . . . . 4.54 110.87 -178.619 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 42.5 t -62.69 -44.48 96.13 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.051 -0.522 . . . . 1.09 109.97 178.549 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 66.5 mt -58.53 -45.64 90.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.863 -0.608 . . . . 1.17 111.106 177.26 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.458 ' HG3' ' O ' ' A' ' 51' ' ' GLN . 20.1 mt-30 -61.9 -50.33 72.63 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.109 -0.496 . . . . 3.22 111.045 -177.687 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.427 ' HG ' ' O ' ' A' ' 52' ' ' ARG . 72.9 mt -61.26 -36.94 81.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 1.07 111.544 178.386 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 21.4 ttmm -57.74 -45.8 85.33 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 109.843 -0.429 . . . . 2.42 109.843 176.315 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 24.0 mt-30 -60.24 -42.39 95.15 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.673 -0.694 . . . . 2.95 110.886 177.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.63 -43.72 88.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.446 . . . . 1.07 111.442 -178.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 81.9 mt -66.7 -43.12 90.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.529 -0.305 . . . . 1.16 110.518 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -59.75 -41.37 90.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.223 0.535 . . . . 0.64 110.198 177.405 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -62.52 -47.37 84.21 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.285 -0.871 . . . . 2.28 110.847 179.612 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -67.02 -39.75 87.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.481 -0.327 . . . . 1.6 110.994 178.465 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 64.5 tttp -57.0 -45.89 82.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.926 0.393 . . . . 2.04 110.489 175.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -66.86 -39.35 87.52 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.879 -0.601 . . . . 1.94 110.883 179.154 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -65.46 -39.9 92.57 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.1 -0.5 . . . . 1.16 110.466 178.177 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 60.3 tp -66.86 -44.7 80.29 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.566 -0.743 . . . . 1.26 110.989 179.646 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -59.8 -29.13 68.02 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.123 0.487 . . . . 2.3 111.069 178.017 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 64.1 tttm . . . . . 0 C--N 1.325 -0.493 0 CA-C-N 115.804 -0.634 . . . . 3.1 110.535 -178.737 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 32.7 t80 . . . . . 0 C--O 1.233 0.223 0 CA-C-O 120.671 0.272 . . . . 1.82 110.593 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -71.69 -27.49 63.07 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.833 -0.347 . . . . 2.11 111.182 -178.582 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -65.08 -47.85 75.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.745 0.307 . . . . 4.28 110.694 177.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.409 ' O ' ' HG2' ' A' ' 89' ' ' GLU . 43.6 ttm180 -64.06 -40.36 96.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.171 0.51 . . . . 4.1 109.815 178.46 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 19.8 ttmm -62.52 -42.46 99.53 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.632 -0.713 . . . . 2.82 110.571 177.32 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -67.02 -38.16 85.44 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.392 -0.822 . . . . 2.94 110.791 179.498 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -65.05 -39.05 92.74 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.156 -0.474 . . . . 2.99 110.546 -179.476 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.417 ' O ' HD12 ' A' ' 93' ' ' LEU . 27.7 mm-40 -61.58 -44.74 96.45 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 110.047 -0.353 . . . . 1.83 110.047 175.101 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 7.4 m-70 -58.57 -42.58 88.3 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.339 -0.391 . . . . 0.66 110.436 176.422 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 33.4 m -62.93 -42.35 99.78 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.854 -0.612 . . . . 1.39 111.122 -179.565 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.516 ' O ' ' HG ' ' A' ' 96' ' ' LEU . 27.3 tp -70.73 -51.95 24.02 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.297 -0.411 . . . . 1.22 111.143 -178.47 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.417 HD12 ' O ' ' A' ' 89' ' ' GLU . 10.9 mp -61.82 -32.98 73.33 Favored 'General case' 0 CA--C 1.519 -0.215 0 CA-C-N 116.424 -0.353 . . . . 1.34 110.904 -177.584 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -63.89 -46.49 84.65 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.491 -0.322 . . . . 0.82 110.209 176.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.401 ' O ' ' HG3' ' A' ' 99' ' ' GLN . 54.8 tttp -61.35 -44.15 97.66 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.503 -0.317 . . . . 2.77 111.439 175.421 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.516 ' HG ' ' O ' ' A' ' 92' ' ' LEU . 84.4 mt -58.87 -44.87 91.16 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.308 -0.406 . . . . 1.14 110.135 178.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 28.8 m -58.37 -43.19 88.33 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.947 -0.57 . . . . 1.16 110.729 174.739 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -62.35 -46.76 87.21 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.736 0.303 . . . . 3.1 111.3 -179.268 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.401 ' HG3' ' O ' ' A' ' 95' ' ' LYS . 47.0 mt-30 -60.61 -39.78 89.44 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.995 -0.548 . . . . 2.67 110.984 -177.57 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 96.4 mt -74.35 -41.83 60.4 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.227 -0.442 . . . . 1.16 110.979 178.238 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 23.8 tm0? -62.99 -44.33 96.34 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.828 -0.624 . . . . 2.34 110.432 -178.392 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -62.07 -41.1 99.67 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.728 -0.749 . . . . 0.51 111.593 176.317 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 66.8 tp -63.38 -45.93 88.85 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.704 0.288 . . . . 1.33 110.937 178.685 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.88 -46.7 89.56 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.186 -0.461 . . . . 1.11 111.35 -177.292 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 71.0 t -62.03 -38.33 80.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 120.897 0.379 . . . . 1.27 110.79 179.018 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 92.4 m -61.54 -33.09 73.24 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.826 -0.625 . . . . 1.27 110.945 177.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 91.5 mt -79.27 -39.64 21.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.209 -0.451 . . . . 1.31 111.176 178.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 21.6 m -71.77 -17.74 62.16 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.122 0.487 . . . . 1.81 110.602 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 56.0 ttp180 . . . . . 0 N--CA 1.45 -0.473 0 CA-C-N 115.924 -0.58 . . . . 6.45 109.578 178.216 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 . . . . . 0 N--CA 1.455 -0.192 0 CA-C-O 120.134 0.016 . . . . 2.19 110.996 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -62.07 -28.78 80.47 Favored 'Trans proline' 0 C--N 1.35 0.631 0 C-N-CA 122.302 2.002 . . . . 1.75 111.505 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 54.1 mt -57.14 -39.16 74.66 Favored 'General case' 0 C--O 1.221 -0.421 0 CA-C-N 115.534 -0.757 . . . . 1.38 111.228 -179.769 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -67.17 -48.54 67.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.77 0.319 . . . . 3.13 110.603 -177.726 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.1 -44.75 95.98 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.112 -0.494 . . . . 1.28 110.957 178.195 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 23.4 tp -67.19 -40.09 86.46 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.846 -0.615 . . . . 1.67 111.131 179.244 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.458 ' O ' ' HG3' ' A' ' 22' ' ' GLN . 35.3 ttm180 -60.2 -39.67 87.36 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 110.19 -0.3 . . . . 3.84 110.19 174.761 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 48.3 ttp180 -59.13 -43.19 91.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.137 -0.483 . . . . 4.35 110.061 175.743 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 89.2 mtt180 -61.0 -43.44 98.89 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 115.788 -0.642 . . . . 4.64 110.618 174.436 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -64.56 -34.6 78.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.492 -0.322 . . . . 1.34 111.316 178.739 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.458 ' HG3' ' O ' ' A' ' 18' ' ' ARG . 96.0 mt-30 -64.57 -31.5 72.75 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-O 120.924 0.392 . . . . 3.26 110.423 176.662 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.493 ' O ' ' HG3' ' A' ' 27' ' ' GLN . 39.0 tt0 -67.26 -45.71 75.86 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.535 -0.757 . . . . 2.14 109.183 177.648 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.483 ' O ' HG21 ' A' ' 28' ' ' VAL . 73.2 mt -65.52 -36.25 83.27 Favored 'General case' 0 C--O 1.224 -0.265 0 CA-C-N 115.704 -0.68 . . . . 1.23 110.772 175.382 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 37.5 ttmt -57.8 -41.67 82.63 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.97 -0.381 . . . . 2.44 109.97 178.606 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 52.4 tp60 -68.44 -34.12 75.42 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.229 -0.441 . . . . 3.17 110.442 178.26 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.493 ' HG3' ' O ' ' A' ' 23' ' ' GLU . 27.1 mt-30 -67.76 -34.68 77.29 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.656 -0.498 . . . . 1.91 109.656 178.231 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.483 HG21 ' O ' ' A' ' 24' ' ' LEU . 82.1 t -68.47 -48.7 71.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.889 -0.596 . . . . 1.15 110.006 177.393 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -59.63 -34.98 73.49 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.139 -0.482 . . . . 1.21 110.788 177.457 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 41.6 t -65.17 -44.66 87.78 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.199 -0.455 . . . . 1.9 110.57 177.463 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 52.0 tp -64.75 -48.31 75.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.42 -0.354 . . . . 1.8 110.335 -179.398 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 86.8 mt -60.45 -33.8 73.07 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.102 -0.499 . . . . 1.39 111.093 178.265 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 33.0 t -63.44 -42.55 98.68 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.065 -0.516 . . . . 1.9 110.181 178.443 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -75.56 -32.21 60.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.155 0.503 . . . . 1.86 109.998 -179.571 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 21.5 m -73.43 -10.59 59.89 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.616 -0.72 . . . . 1.94 111.301 179.763 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 9.9 tt0 -100.4 -10.36 21.25 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.472 0.653 . . . . 3.55 109.473 -174.435 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 87.7 mt -66.82 136.54 55.59 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.332 -0.849 . . . . 1.43 110.176 -178.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 7.8 ptpp? -63.57 -29.64 70.87 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.199 -0.455 . . . . 4.11 109.959 177.092 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 44.3 mm-40 -73.07 -17.23 61.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.517 -0.765 . . . . 3.24 111.073 177.465 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -86.69 -0.21 55.84 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.326 -0.397 . . . . 1.64 111.467 -177.61 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 49.0 tp -72.51 -9.09 58.13 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.345 0.593 . . . . 3.2 110.253 176.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 22.3 mm-40 -73.63 129.86 84.68 Favored Pre-proline 0 C--N 1.323 -0.563 0 CA-C-N 115.813 -0.63 . . . . 3.43 110.499 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_exo -46.3 -43.66 21.13 Favored 'Trans proline' 0 C--N 1.348 0.538 0 C-N-CA 123.05 2.5 . . . . 2.0 114.184 -171.413 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 84.1 m-20 -59.69 -43.26 94.13 Favored 'General case' 0 N--CA 1.464 0.235 0 N-CA-C 111.491 0.182 . . . . 2.03 111.491 -176.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.409 ' O ' HG13 ' A' ' 49' ' ' ILE . 16.9 tppt? -64.6 -42.81 95.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.761 -0.2 . . . . 2.52 110.701 179.353 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 13.8 mmt180 -57.12 -43.83 82.74 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.379 -0.373 . . . . 4.27 110.832 179.603 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 68.3 mt-30 -61.44 -39.28 90.27 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.83 -0.623 . . . . 3.02 110.765 179.211 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 16.6 t60 -69.48 -34.87 74.98 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.994 -0.548 . . . . 1.15 110.152 -179.233 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.409 HG13 ' O ' ' A' ' 45' ' ' LYS . 85.5 mt -65.96 -42.28 91.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.927 -0.578 . . . . 1.37 110.961 178.855 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 72.3 t80 -54.01 -41.02 67.51 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 116.34 -0.391 . . . . 0.97 111.355 178.592 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.549 ' O ' ' HG2' ' A' ' 55' ' ' GLN . 51.7 tp60 -67.06 -42.3 85.0 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.403 -0.362 . . . . 1.98 110.305 -179.474 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -66.53 -31.75 72.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.485 . . . . 4.54 111.307 179.042 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . 0.438 ' SG ' ' HB3' ' A' ' 104' ' ' ALA . 45.7 t -67.29 -42.31 83.95 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.708 -0.478 . . . . 1.09 109.708 -178.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 60.8 mt -58.88 -39.96 78.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.826 -0.625 . . . . 1.17 110.876 176.263 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.549 ' HG2' ' O ' ' A' ' 51' ' ' GLN . 77.0 mm-40 -65.18 -50.84 64.4 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.08 -0.509 . . . . 3.22 111.165 -178.154 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.402 ' O ' HG13 ' A' ' 60' ' ' ILE . 65.6 mt -61.28 -38.25 86.11 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.464 -0.335 . . . . 1.07 111.675 178.667 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 64.0 tttm -62.43 -41.42 98.71 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.839 0.352 . . . . 2.42 110.213 179.761 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 47.3 tt0 -63.88 -38.41 90.98 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.927 -0.579 . . . . 2.95 110.442 176.705 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -66.3 -45.31 80.82 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.967 -0.56 . . . . 1.07 111.56 -179.285 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.402 HG13 ' O ' ' A' ' 56' ' ' LEU . 73.1 mt -64.67 -41.97 93.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 121.04 0.448 . . . . 1.16 110.016 179.562 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -59.84 -36.86 77.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.612 -0.722 . . . . 0.64 110.404 177.326 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 19.5 tp10 -61.36 -47.19 86.98 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.367 -0.833 . . . . 2.28 110.712 179.021 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -72.21 -33.68 67.78 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.738 -0.385 . . . . 1.6 110.983 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 59.9 tttp -56.79 -45.87 81.91 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 120.988 0.423 . . . . 2.04 110.073 173.18 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 -64.27 -37.54 87.86 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.739 -0.664 . . . . 1.94 110.89 179.012 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -66.71 -45.88 77.35 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.027 -0.533 . . . . 1.16 110.115 177.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 53.3 tp -61.09 -42.8 99.18 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.497 -0.774 . . . . 1.26 111.025 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 51.0 tp60 -63.26 -31.18 72.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.112 -0.494 . . . . 2.3 111.451 178.348 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 26.2 tptp . . . . . 0 C--N 1.33 -0.279 0 CA-C-O 120.885 0.374 . . . . 3.1 110.674 -178.888 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 36.0 t80 . . . . . 0 N--CA 1.462 0.141 0 N-CA-C 109.63 -0.508 . . . . 1.82 109.63 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 0.547 ' O ' ' HG3' ' A' ' 87' ' ' GLU . 91.4 m-20 -66.43 -42.85 87.08 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.944 -0.571 . . . . 2.11 111.027 -179.516 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . 0.609 ' HA ' HE21 ' A' ' 84' ' ' GLN . 0.0 OUTLIER -60.17 -45.73 92.08 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.427 -0.351 . . . . 4.28 111.355 -177.437 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -63.17 -33.11 74.76 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.232 0.539 . . . . 4.1 109.913 -179.329 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 21.5 ttmm -70.65 -44.16 67.71 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.334 -0.848 . . . . 2.82 110.751 178.253 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.547 ' HG3' ' O ' ' A' ' 83' ' ' ASN . 48.3 mt-10 -68.49 -43.22 77.36 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.343 -0.39 . . . . 2.94 110.805 -178.807 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 40.6 mm-40 -65.06 -31.57 72.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.332 -0.395 . . . . 2.99 110.993 179.558 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 23.4 tp10 -68.55 -35.34 77.28 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.784 -0.45 . . . . 1.83 109.784 178.541 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 7.7 m-70 -61.33 -42.58 98.92 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.191 -0.459 . . . . 0.66 110.194 174.648 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 18.8 m -61.42 -38.51 87.39 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.789 -0.641 . . . . 1.39 110.929 178.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 63.2 tp -70.92 -51.45 25.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 1.22 111.115 179.375 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 94.8 mt -64.58 -32.98 74.86 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.139 -0.482 . . . . 1.34 111.365 -175.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -63.86 -45.28 90.19 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.596 -0.275 . . . . 0.82 110.394 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 55.7 tttp -59.29 -49.53 77.49 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.619 -0.264 . . . . 2.77 111.38 177.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 86.4 mt -59.27 -46.39 88.64 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.379 -0.373 . . . . 1.14 110.806 -178.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 27.6 m -59.7 -45.87 90.79 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.422 -0.353 . . . . 1.16 111.179 176.191 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 7.2 tp60 -64.47 -40.57 95.93 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.169 -0.469 . . . . 3.1 111.263 -178.207 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 31.4 tt0 -65.02 -41.88 94.88 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.754 -0.657 . . . . 2.67 110.614 -177.75 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 77.6 mt -71.12 -47.19 59.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.952 -0.567 . . . . 1.16 111.043 179.697 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 51.0 tp60 -61.47 -35.75 78.51 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.177 -0.465 . . . . 2.34 110.388 -178.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -64.9 -45.29 92.93 Favored Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 120.523 -0.846 . . . . 0.51 111.618 175.294 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 65.0 tp -64.31 -41.24 96.92 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.911 0.386 . . . . 1.33 110.578 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.438 ' HB3' ' SG ' ' A' ' 53' ' ' CYS . . . -58.14 -46.44 85.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.841 -0.618 . . . . 1.11 110.872 -179.758 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 97.4 t -67.55 -34.83 70.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.813 0.34 . . . . 1.27 110.671 178.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 88.1 m -61.07 -39.97 91.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.937 0.399 . . . . 1.27 110.681 177.527 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 65.9 mt -78.98 -35.27 17.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 121.017 0.436 . . . . 1.31 110.646 178.299 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 38.6 t -63.73 -27.15 69.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.027 -0.533 . . . . 1.81 110.499 178.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 74.8 mtp180 . . . . . 0 C--N 1.325 -0.489 0 CA-C-N 115.909 -0.587 . . . . 6.45 109.661 -179.968 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 . . . . . 0 C--O 1.235 0.321 0 CA-C-O 120.682 0.277 . . . . 2.19 111.098 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -64.37 -35.71 48.77 Favored 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 122.419 2.079 . . . . 1.75 111.269 176.77 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 73.5 mt -62.5 -39.93 95.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.534 -0.757 . . . . 1.38 110.982 -177.51 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -66.09 -48.3 71.4 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.612 0.244 . . . . 3.13 110.966 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.94 -45.17 78.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.926 0.393 . . . . 1.28 110.908 -178.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 39.2 tp -62.62 -36.83 84.03 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.976 -0.556 . . . . 1.67 110.868 177.654 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.436 ' HB2' ' NH2' ' A' ' 85' ' ' ARG . 76.5 ttt180 -59.14 -35.51 73.62 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-O 120.748 0.309 . . . . 3.84 110.331 177.251 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 38.4 mtp85 -61.55 -42.17 98.44 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.139 0.495 . . . . 4.35 110.172 176.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 31.0 mmt180 -70.69 -36.23 73.18 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.928 -0.578 . . . . 4.64 110.904 175.739 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 97.5 m-20 -63.82 -40.73 97.32 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.631 0.253 . . . . 1.34 110.598 175.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 53.1 tt0 -63.74 -32.0 73.36 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.03 0.443 . . . . 3.26 110.418 177.004 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.405 ' O ' ' HG3' ' A' ' 27' ' ' GLN . 9.3 tp10 -65.86 -48.2 72.37 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.419 -0.81 . . . . 2.14 109.0 -179.601 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.462 ' O ' HG22 ' A' ' 28' ' ' VAL . 91.0 mt -67.87 -36.75 80.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.126 -0.943 . . . . 1.23 110.595 178.214 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 20.4 tptm -57.8 -46.52 84.52 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.52 -0.309 . . . . 2.44 110.785 178.484 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.606 ' HA ' HE21 ' A' ' 26' ' ' GLN . 0.0 OUTLIER -64.17 -32.76 74.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.031 0.443 . . . . 3.17 110.508 179.188 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.405 ' HG3' ' O ' ' A' ' 23' ' ' GLU . 28.5 mt-30 -70.03 -33.92 72.61 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.951 -0.568 . . . . 1.91 109.798 178.316 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.462 HG22 ' O ' ' A' ' 24' ' ' LEU . 74.9 t -67.75 -43.62 86.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 N-CA-C 109.901 -0.407 . . . . 1.15 109.901 176.545 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -58.02 -36.56 72.88 Favored 'General case' 0 CA--C 1.519 -0.244 0 CA-C-O 121.108 0.48 . . . . 1.21 109.936 175.484 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.592 ' O ' ' HG2' ' A' ' 34' ' ' GLU . 42.2 m -66.88 -40.86 87.94 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.597 -0.729 . . . . 1.9 110.621 178.524 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.447 ' O ' HD12 ' A' ' 31' ' ' LEU . 1.6 tm? -65.16 -40.85 94.92 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.472 -0.566 . . . . 1.8 109.472 -179.243 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.445 ' O ' ' HG2' ' A' ' 36' ' ' GLN . 97.0 mt -63.35 -40.48 97.41 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.106 -0.497 . . . . 1.39 111.058 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 11.9 p -71.42 -32.21 68.13 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.458 -0.337 . . . . 1.9 111.773 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.592 ' HG2' ' O ' ' A' ' 30' ' ' SER . 42.3 mm-40 -75.5 -37.86 59.87 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 121.188 0.518 . . . . 1.86 110.872 -178.008 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 22.0 p -71.65 -11.21 60.72 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.84 -0.618 . . . . 1.94 112.088 -174.15 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.445 ' HG2' ' O ' ' A' ' 32' ' ' LEU . 34.8 mm-40 -103.39 1.51 32.7 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.972 -0.381 . . . . 3.55 109.972 -176.748 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.584 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 93.7 mt -75.87 133.94 40.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.066 -0.515 . . . . 1.43 110.14 -178.671 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 54.9 mttp -65.4 -33.32 75.68 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.273 -0.876 . . . . 4.11 110.804 -175.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -76.45 -21.83 55.38 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.083 -0.508 . . . . 3.24 110.681 178.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -92.38 -0.86 57.34 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.987 -0.551 . . . . 1.64 111.144 -176.688 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.584 ' HG ' ' O ' ' A' ' 37' ' ' LEU . 92.2 mt -85.21 3.99 36.73 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.847 -0.615 . . . . 3.2 110.765 179.153 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.536 ' O ' ' HG3' ' A' ' 46' ' ' ARG . 51.7 mm-40 -69.31 143.52 93.71 Favored Pre-proline 0 C--N 1.325 -0.496 0 CA-C-N 115.967 -0.56 . . . . 3.43 110.343 177.898 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_endo -50.28 -48.41 20.13 Favored 'Trans proline' 0 C--N 1.348 0.52 0 C-N-CA 122.897 2.398 . . . . 2.0 113.445 -171.401 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -68.55 -40.79 80.51 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.816 -0.175 . . . . 2.03 111.084 -174.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 27.7 tptp -62.52 -31.41 72.18 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.635 -0.257 . . . . 2.52 110.877 -179.586 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.536 ' HG3' ' O ' ' A' ' 42' ' ' GLU . 96.0 mtt180 -56.7 -42.08 78.52 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.396 -0.365 . . . . 4.27 110.756 178.625 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -64.66 -36.06 83.03 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.938 0.399 . . . . 3.02 110.815 178.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 7.8 t60 -69.86 -38.8 76.55 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.978 -0.555 . . . . 1.15 110.065 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 65.2 mt -69.45 -43.4 80.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.286 -0.416 . . . . 1.37 110.188 178.317 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 58.6 t80 -54.28 -40.27 67.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 0.97 110.879 175.73 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 57.6 tp60 -64.46 -44.88 89.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.029 0.443 . . . . 1.98 110.38 177.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.442 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 28.3 mmm180 -65.76 -33.03 74.92 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.052 -0.522 . . . . 4.54 110.953 -179.595 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 31.3 t -68.0 -41.67 81.91 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.078 -0.51 . . . . 1.09 109.763 179.11 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 62.0 mt -59.06 -40.78 81.59 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-N 115.787 -0.642 . . . . 1.17 110.722 175.475 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 58.2 tp60 -60.73 -50.1 74.84 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.26 -0.427 . . . . 3.22 110.7 -179.387 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.445 ' O ' HG13 ' A' ' 60' ' ' ILE . 52.6 mt -60.61 -40.19 90.94 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.242 -0.435 . . . . 1.07 111.405 178.079 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 39.8 ttpt -61.35 -45.85 92.67 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.997 0.427 . . . . 2.42 110.566 -178.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -64.11 -35.85 82.11 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.79 -0.641 . . . . 2.95 111.05 178.532 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -67.03 -40.01 87.1 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.348 -0.387 . . . . 1.07 111.195 179.508 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.445 HG13 ' O ' ' A' ' 56' ' ' LEU . 77.9 mt -66.79 -44.07 89.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.363 -0.38 . . . . 1.16 110.376 178.833 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -60.07 -36.3 77.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.83 -0.623 . . . . 0.64 109.988 178.407 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -61.0 -47.27 87.22 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.403 -0.817 . . . . 2.28 110.99 177.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 7.6 m-20 -65.46 -42.79 91.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.446 . . . . 1.6 110.743 178.65 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 84.5 tttt -60.23 -46.09 90.96 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.893 -0.594 . . . . 2.04 110.677 178.606 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -66.09 -36.48 83.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.082 -0.508 . . . . 1.94 111.092 -178.404 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -63.86 -47.48 80.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.985 0.421 . . . . 1.16 110.694 177.425 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 56.8 tp -63.56 -43.8 95.98 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.9 -0.591 . . . . 1.26 110.75 179.313 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 63.5 tt0 -63.56 -28.43 69.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.87 -0.605 . . . . 2.3 111.122 179.548 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 28.7 ttpp . . . . . 0 C--N 1.329 -0.308 0 CA-C-O 120.943 0.402 . . . . 3.1 110.759 -178.842 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 26.7 t80 . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.828 0.347 . . . . 1.82 110.198 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 76.1 m-20 -68.64 -41.07 79.89 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-O 121.177 0.513 . . . . 2.11 110.278 -179.382 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . 0.484 ' O ' ' HG2' ' A' ' 88' ' ' GLU . 8.1 tt0 -61.16 -51.0 70.9 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.394 -0.821 . . . . 4.28 110.869 -177.486 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.46 ' O ' ' HG2' ' A' ' 89' ' ' GLU . 11.2 mtp180 -67.92 -35.17 77.98 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.395 -0.366 . . . . 4.1 111.688 -176.058 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 38.8 ttmt -59.5 -39.56 84.21 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.108 0.48 . . . . 2.82 110.277 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 15.9 tp10 -71.73 -39.63 69.97 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.89 -0.596 . . . . 2.94 110.386 178.055 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.484 ' HG2' ' O ' ' A' ' 84' ' ' GLN . 47.9 mm-40 -63.98 -37.72 88.44 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.09 -0.504 . . . . 2.99 111.595 -176.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.46 ' HG2' ' O ' ' A' ' 85' ' ' ARG . 70.0 mm-40 -60.82 -42.63 98.06 Favored 'General case' 0 C--N 1.332 -0.163 0 N-CA-C 109.598 -0.519 . . . . 1.83 109.598 177.499 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 32.1 m-70 -63.53 -37.95 89.26 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.872 -0.604 . . . . 0.66 110.503 176.474 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 25.9 m -65.92 -38.9 89.89 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.999 0.428 . . . . 1.39 111.031 -179.41 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.445 ' O ' ' HG ' ' A' ' 96' ' ' LEU . 57.8 tp -70.22 -51.9 27.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.102 -0.499 . . . . 1.22 110.648 179.525 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 89.9 mt -66.29 -33.37 75.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.494 . . . . 1.34 111.096 -175.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -64.43 -45.24 88.36 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.742 -0.208 . . . . 0.82 111.126 -178.434 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 59.9 tttp -62.36 -45.1 94.71 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.725 0.298 . . . . 2.77 110.555 178.338 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.445 ' HG ' ' O ' ' A' ' 92' ' ' LEU . 86.4 mt -59.24 -46.57 88.14 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.94 -0.573 . . . . 1.14 110.485 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 28.0 m -58.86 -46.1 88.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.23 -0.441 . . . . 1.16 111.335 177.318 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 8.7 tp-100 -68.46 -41.17 80.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.28 -0.418 . . . . 3.1 111.1 -176.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 9.9 tt0 -63.76 -48.23 77.81 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.983 -0.553 . . . . 2.67 110.766 -179.678 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 66.8 mt -63.95 -44.56 92.46 Favored 'General case' 0 C--O 1.222 -0.369 0 CA-C-N 116.194 -0.457 . . . . 1.16 110.776 -178.682 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 52.3 tp60 -61.51 -40.68 95.5 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.451 -0.34 . . . . 2.34 110.361 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -67.51 -43.32 86.93 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.763 -0.732 . . . . 0.51 111.998 177.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.463 ' O ' HG13 ' A' ' 107' ' ' ILE . 54.3 tp -68.16 -42.8 79.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.546 0.213 . . . . 1.33 110.895 -179.64 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -56.08 -46.75 78.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.948 0.404 . . . . 1.11 110.933 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 96.3 t -65.4 -32.55 58.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.0 -0.545 . . . . 1.27 110.604 178.183 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 60.4 m -66.92 -42.11 85.92 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.232 -0.44 . . . . 1.27 110.683 176.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . 0.463 HG13 ' O ' ' A' ' 103' ' ' LEU . 73.0 mt -68.78 -40.27 81.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.196 -0.456 . . . . 1.31 110.761 -178.884 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 41.9 t -80.16 -5.51 56.17 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.026 -0.533 . . . . 1.81 110.241 -179.564 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 24.7 mmt180 . . . . . 0 C--O 1.232 0.177 0 CA-C-N 115.346 -0.843 . . . . 6.45 111.412 178.867 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.8 t70 . . . . . 0 C--O 1.234 0.252 0 CA-C-O 121.193 0.521 . . . . 2.19 110.698 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -60.12 -28.66 87.44 Favored 'Trans proline' 0 C--N 1.348 0.532 0 C-N-CA 123.194 2.596 . . . . 1.75 112.935 -177.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 95.2 mt -57.74 -38.87 76.1 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.675 -0.239 . . . . 1.38 110.707 178.71 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -62.01 -45.15 94.88 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-O 120.729 0.3 . . . . 3.13 110.989 177.615 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.93 -45.01 94.52 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.993 0.425 . . . . 1.28 110.658 179.447 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.424 HD21 ' HB2' ' A' ' 67' ' ' LEU . 51.3 tp -64.91 -37.78 88.78 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.969 -0.56 . . . . 1.67 110.879 177.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.417 ' O ' ' HG2' ' A' ' 22' ' ' GLN . 37.7 ttp180 -58.7 -37.84 76.98 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.827 -0.434 . . . . 3.84 109.827 177.486 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 68.7 ttt180 -63.74 -42.32 97.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.968 -0.56 . . . . 4.35 110.154 176.523 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.4 HH11 ' HD2' ' A' ' 20' ' ' ARG . 36.4 mtp85 -61.74 -42.34 98.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.805 -0.634 . . . . 4.64 110.781 175.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 89.5 m-20 -63.18 -39.08 93.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.465 -0.334 . . . . 1.34 111.368 178.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.417 ' HG2' ' O ' ' A' ' 18' ' ' ARG . 18.0 mm-40 -63.58 -32.27 73.68 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-O 121.237 0.542 . . . . 3.26 110.477 177.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.474 ' O ' ' HG3' ' A' ' 27' ' ' GLN . 35.8 tt0 -70.29 -44.43 68.37 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.57 -0.741 . . . . 2.14 109.622 178.737 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.593 HD13 ' ND2' ' A' ' 63' ' ' ASN . 97.3 mt -64.65 -40.19 95.01 Favored 'General case' 0 CA--C 1.516 -0.331 0 CA-C-N 115.717 -0.674 . . . . 1.23 110.93 178.31 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 53.4 tttm -58.14 -40.97 82.67 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.774 0.321 . . . . 2.44 110.412 179.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -64.56 -34.31 77.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.28 -0.418 . . . . 3.17 110.4 178.1 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.474 ' HG3' ' O ' ' A' ' 23' ' ' GLU . 25.3 mt-30 -69.23 -37.18 77.87 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.026 -0.534 . . . . 1.91 110.313 179.771 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 85.6 t -68.96 -46.65 78.6 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-N 116.199 -0.455 . . . . 1.15 110.316 179.02 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -60.0 -33.11 71.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.049 -0.523 . . . . 1.21 110.513 176.348 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 26.7 t -64.24 -42.61 96.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 1.9 110.134 177.327 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 44.5 tp -62.41 -47.08 85.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.08 -0.509 . . . . 1.8 110.202 177.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 94.5 mt -59.65 -33.02 71.01 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.601 -0.727 . . . . 1.39 110.904 177.706 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 32.4 t -62.64 -41.93 99.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.409 -0.36 . . . . 1.9 110.511 178.736 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -73.69 -40.46 63.62 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.306 0.574 . . . . 1.86 109.757 179.238 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 29.0 t -68.88 -10.04 54.88 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.245 -0.888 . . . . 1.94 111.453 -178.38 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 27.3 tt0 -96.64 -5.01 39.99 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.594 0.712 . . . . 3.55 109.78 -175.068 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 85.6 mt -88.74 153.38 21.14 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.643 -0.708 . . . . 1.43 110.307 -177.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 62.4 tttp -71.75 -29.98 65.1 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.111 -0.495 . . . . 4.11 110.148 178.741 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -68.02 -17.79 64.52 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.688 -0.687 . . . . 3.24 110.881 179.15 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -74.65 -13.38 60.63 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.074 -0.512 . . . . 1.64 111.642 -176.695 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 27.0 tp -85.45 3.69 39.03 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.419 0.628 . . . . 3.2 110.151 178.708 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.544 ' OE1' ' HD2' ' A' ' 43' ' ' PRO . 10.5 tp10 -81.45 119.2 75.01 Favored Pre-proline 0 C--N 1.324 -0.514 0 N-CA-C 108.86 -0.792 . . . . 3.43 108.86 175.36 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.544 ' HD2' ' OE1' ' A' ' 42' ' ' GLU . 82.7 Cg_exo -45.66 -42.51 19.0 Favored 'Trans proline' 0 C--N 1.352 0.715 0 C-N-CA 123.026 2.484 . . . . 2.0 114.203 -170.425 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 7.2 m-20 -59.81 -47.95 83.64 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 120.566 0.222 . . . . 2.03 111.182 -178.529 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.481 ' HZ2' ' HB2' ' A' ' 45' ' ' LYS . 0.0 OUTLIER -74.37 -37.84 63.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.981 0.42 . . . . 2.52 110.629 178.645 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 39.7 ttt180 -61.37 -43.35 99.02 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.514 -0.767 . . . . 4.27 111.092 -177.431 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 11.7 mm100 -68.11 -31.66 71.42 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-O 120.989 0.423 . . . . 3.02 110.342 178.081 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 33.0 t60 -66.99 -34.54 77.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.034 -0.53 . . . . 1.15 109.842 177.324 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.44 HG13 ' O ' ' A' ' 45' ' ' LYS . 70.3 mt -59.42 -41.7 85.34 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.144 0 CA-C-N 116.279 -0.419 . . . . 1.37 110.382 176.323 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 26.6 t80 -54.74 -40.92 69.79 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 116.098 -0.501 . . . . 0.97 111.236 176.278 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 59.5 tp60 -65.95 -44.11 85.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.872 0.368 . . . . 1.98 110.532 179.229 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.527 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 82.5 mtt180 -61.23 -36.71 80.68 Favored 'General case' 0 CA--C 1.52 -0.21 0 CA-C-O 121.003 0.43 . . . . 4.54 110.549 177.093 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 4.6 t -67.49 -42.32 83.11 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.482 -0.781 . . . . 1.09 109.909 -175.556 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 69.0 mt -59.95 -47.69 90.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.885 -0.598 . . . . 1.17 111.037 176.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 25.8 tm0? -63.15 -49.33 74.76 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.256 -0.429 . . . . 3.22 110.973 -176.515 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.527 ' HG ' ' O ' ' A' ' 52' ' ' ARG . 78.4 mt -59.91 -37.0 78.17 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.593 -0.276 . . . . 1.07 111.391 178.466 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 82.2 tttt -64.74 -39.44 93.63 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.961 0.41 . . . . 2.42 110.038 178.365 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 -63.56 -35.72 81.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.89 -0.595 . . . . 2.95 110.858 178.618 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -68.15 -40.11 82.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.27 -0.423 . . . . 1.07 111.018 179.496 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 65.7 mt -67.28 -42.31 87.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-O 120.933 0.397 . . . . 1.16 110.266 178.499 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -59.57 -39.76 85.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.851 -0.613 . . . . 0.64 110.2 178.166 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -61.35 -47.81 84.19 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.486 -0.779 . . . . 2.28 111.002 179.399 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . 0.593 ' ND2' HD13 ' A' ' 24' ' ' LEU . 28.8 m-80 -69.89 -37.09 75.91 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.207 -0.451 . . . . 1.6 110.81 -179.736 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 81.7 tttt -60.26 -44.55 95.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.99 0.424 . . . . 2.04 110.125 174.609 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -67.53 -36.23 80.61 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.917 -0.583 . . . . 1.94 110.719 179.18 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -62.17 -44.22 97.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.092 0.472 . . . . 1.16 110.413 177.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.424 ' HB2' HD21 ' A' ' 17' ' ' LEU . 32.0 tp -64.04 -42.44 97.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.658 -0.701 . . . . 1.26 111.071 178.63 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -73.54 -24.12 60.09 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.066 0.46 . . . . 2.3 110.631 179.644 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 86.9 tttt . . . . . 0 C--N 1.33 -0.264 0 CA-C-O 121.419 0.628 . . . . 3.1 109.692 175.151 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 11.8 t80 . . . . . 0 CA--C 1.53 0.209 0 CA-C-O 120.897 0.38 . . . . 1.82 110.606 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -71.61 -45.76 61.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.015 0.436 . . . . 2.11 110.526 -178.635 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . 0.421 ' O ' ' HG2' ' A' ' 88' ' ' GLU . 48.1 mt-30 -68.58 -48.29 64.57 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.627 -0.715 . . . . 4.28 111.105 -176.055 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -63.53 -37.68 88.23 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.229 -0.441 . . . . 4.1 111.118 -175.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 35.7 ttmt -61.37 -46.31 90.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.067 0.46 . . . . 2.82 110.629 178.549 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -71.71 -35.56 70.26 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.04 -0.527 . . . . 2.94 111.161 -178.552 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.421 ' HG2' ' O ' ' A' ' 84' ' ' GLN . 63.6 mm-40 -58.01 -40.82 81.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.655 0.264 . . . . 2.99 111.402 -179.533 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -69.61 -35.14 75.01 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.811 -0.356 . . . . 1.83 110.368 179.534 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 9.4 m-70 -61.06 -46.88 88.9 Favored 'General case' 0 N--CA 1.464 0.259 0 N-CA-C 109.762 -0.458 . . . . 0.66 109.762 173.241 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 25.6 m -58.1 -43.13 86.95 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.639 -0.709 . . . . 1.39 111.245 -179.246 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.436 ' O ' ' HG ' ' A' ' 96' ' ' LEU . 60.5 tp -70.44 -52.4 22.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 1.22 111.233 -179.08 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 94.4 mt -66.27 -33.69 76.3 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.295 -0.412 . . . . 1.34 111.709 -173.782 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -68.21 -44.47 75.72 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.702 -0.399 . . . . 0.82 110.754 -177.63 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.434 ' O ' ' HG2' ' A' ' 99' ' ' GLN . 35.1 ttpt -60.7 -44.32 96.72 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.627 0.251 . . . . 2.77 110.615 177.048 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.436 ' HG ' ' O ' ' A' ' 92' ' ' LEU . 90.4 mt -58.81 -43.36 90.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.097 -0.501 . . . . 1.14 110.502 178.035 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 39.3 m -58.76 -43.36 90.32 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.851 0.357 . . . . 1.16 110.874 175.232 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 23.6 tt0 -66.54 -40.98 89.38 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.017 -0.538 . . . . 3.1 111.213 -177.735 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.434 ' HG2' ' O ' ' A' ' 95' ' ' LYS . 85.6 mm-40 -63.99 -45.19 90.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 2.67 110.764 -179.685 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 67.6 mt -66.94 -39.55 87.35 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.125 -0.489 . . . . 1.16 110.306 179.663 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 23.3 tm0? -61.8 -42.76 99.42 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.646 -0.706 . . . . 2.34 109.73 178.128 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -65.74 -45.8 86.86 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 121.015 -0.612 . . . . 0.51 112.282 179.041 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 63.2 tp -63.82 -45.19 90.7 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.852 0.358 . . . . 1.33 110.421 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -57.89 -46.68 84.54 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.785 -0.643 . . . . 1.11 111.186 -178.74 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 77.6 t -69.15 -37.91 77.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.37 -0.377 . . . . 1.27 111.105 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 97.1 m -61.48 -37.91 85.36 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.824 0.345 . . . . 1.27 111.211 179.219 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 77.2 mt -75.68 -32.86 25.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 121.144 0.497 . . . . 1.31 110.702 177.524 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 43.0 t -77.73 -17.16 57.88 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.073 -0.512 . . . . 1.81 110.746 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 40.0 ttp180 . . . . . 0 C--N 1.323 -0.574 0 CA-C-O 121.279 0.561 . . . . 6.45 110.19 -177.538 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 . . . . . 0 N--CA 1.455 -0.205 0 N-CA-C 110.276 -0.268 . . . . 2.19 110.276 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 25.7 Cg_exo -62.27 -29.9 80.7 Favored 'Trans proline' 0 C--N 1.343 0.26 0 C-N-CA 122.31 2.007 . . . . 1.75 110.837 177.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.48 HD23 ' HZ1' ' A' ' 86' ' ' LYS . 67.9 mt -65.86 -32.46 73.99 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.074 -0.967 . . . . 1.38 110.781 177.865 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -65.33 -47.08 77.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.992 0.425 . . . . 3.13 110.343 178.68 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.38 -44.19 88.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.979 -0.555 . . . . 1.28 110.472 178.587 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 56.6 tp -64.09 -43.97 93.76 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.926 -0.579 . . . . 1.67 111.087 179.19 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 35.3 ttm180 -59.41 -37.93 79.31 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.683 0.277 . . . . 3.84 111.123 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 43.9 ttp180 -60.01 -43.81 94.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.208 0.527 . . . . 4.35 109.683 175.713 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 92.3 mtt180 -69.27 -38.03 78.18 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.357 -0.838 . . . . 4.64 111.324 177.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 -64.41 -41.07 96.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.48 0.181 . . . . 1.34 110.752 177.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 49.5 tt0 -66.78 -30.13 70.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.903 0.383 . . . . 3.26 110.006 176.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -63.97 -46.38 84.88 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.204 -0.665 . . . . 2.14 109.204 177.509 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.467 ' O ' HG21 ' A' ' 28' ' ' VAL . 88.3 mt -69.65 -38.93 77.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.564 -0.744 . . . . 1.23 110.836 177.531 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 63.7 tttm -60.21 -40.57 90.56 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.459 -0.337 . . . . 2.44 110.794 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 56.0 tt0 -64.88 -35.47 81.23 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.185 0.516 . . . . 3.17 110.022 177.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -70.66 -34.43 72.03 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.673 -0.694 . . . . 1.91 110.704 179.406 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.467 HG21 ' O ' ' A' ' 24' ' ' LEU . 71.9 t -67.33 -48.31 78.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.486 -0.324 . . . . 1.15 110.279 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -62.98 -36.88 84.99 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.429 -0.35 . . . . 1.21 111.05 178.229 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 9.0 t -66.22 -38.03 86.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.99 0.424 . . . . 1.9 110.034 178.497 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -63.61 -45.99 87.8 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.377 -0.601 . . . . 1.8 109.377 177.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.468 HD13 ' NE2' ' A' ' 99' ' ' GLN . 97.0 mt -60.34 -33.58 72.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.935 -0.575 . . . . 1.39 110.961 177.032 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 40.7 m -62.67 -40.04 95.83 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.224 -0.444 . . . . 1.9 110.635 179.704 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -75.89 -35.62 59.78 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.086 0.469 . . . . 1.86 110.254 178.511 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 11.5 t -68.09 -10.29 52.78 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.591 -0.731 . . . . 1.94 110.763 -179.35 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -98.14 -8.82 26.84 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-O 121.487 0.661 . . . . 3.55 109.495 -175.547 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 87.0 mt -78.7 135.48 37.18 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.466 -0.788 . . . . 1.43 110.569 -177.134 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 58.4 mtpt -70.74 -29.47 65.73 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.347 -0.842 . . . . 4.11 110.613 -179.532 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -73.15 -18.19 61.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.992 -0.549 . . . . 3.24 110.229 176.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -76.77 -0.45 23.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.296 -0.411 . . . . 1.64 110.766 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 58.8 tp -67.41 -14.62 63.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.76 -0.655 . . . . 3.2 109.985 173.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.44 ' HG3' ' H ' ' A' ' 45' ' ' LYS . 11.8 tp10 -52.14 115.86 7.47 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-N 115.496 -0.775 . . . . 3.43 110.062 174.047 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.427 ' HD2' ' OE1' ' A' ' 42' ' ' GLU . 69.9 Cg_exo -51.28 -31.01 35.5 Favored 'Trans proline' 0 C--N 1.354 0.842 0 C-N-CA 122.907 2.405 . . . . 2.0 112.732 179.798 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 88.8 m-20 -69.57 -47.82 62.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.507 -0.315 . . . . 2.03 110.249 178.482 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.44 ' H ' ' HG3' ' A' ' 42' ' ' GLU . 23.4 tptm -66.88 -34.47 77.86 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.574 -0.285 . . . . 2.52 110.956 178.7 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 60.6 mtp180 -58.0 -41.13 82.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.666 0.269 . . . . 4.27 110.81 177.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 85.8 mm-40 -67.89 -33.32 74.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.924 0.392 . . . . 3.02 110.505 177.481 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 28.0 t60 -68.07 -41.59 81.72 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.109 -0.496 . . . . 1.15 109.944 177.596 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 74.2 mt -66.12 -45.16 91.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 1.37 109.931 178.461 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 51.2 t80 -54.17 -41.19 68.25 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.92 -0.582 . . . . 0.97 111.519 176.567 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 48.3 tp60 -65.67 -45.97 80.89 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.78 0.324 . . . . 1.98 110.999 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.546 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 36.3 mmt180 -67.95 -32.11 72.31 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.758 0.313 . . . . 4.54 111.047 -179.758 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 36.6 t -67.12 -44.02 80.96 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.112 -0.495 . . . . 1.09 110.006 179.373 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 65.1 mt -58.78 -44.56 90.52 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 115.977 -0.556 . . . . 1.17 111.033 175.43 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 40.4 tt0 -61.17 -48.96 79.14 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.81 -0.632 . . . . 3.22 110.814 -176.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.546 ' HG ' ' O ' ' A' ' 52' ' ' ARG . 71.5 mt -61.37 -39.43 90.61 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.368 -0.378 . . . . 1.07 111.287 178.543 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 41.7 tttp -59.18 -45.07 92.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.98 0.419 . . . . 2.42 110.563 179.198 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 81.3 mt-30 -65.9 -34.39 78.02 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.897 -0.592 . . . . 2.95 111.242 177.266 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -68.62 -38.66 80.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.882 0.373 . . . . 1.07 110.881 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.488 HG13 ' O ' ' A' ' 56' ' ' LEU . 75.3 mt -69.19 -39.64 79.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 121.024 0.44 . . . . 1.16 110.041 178.062 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -60.07 -36.73 78.01 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 115.71 -0.677 . . . . 0.64 109.966 176.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -62.15 -47.0 86.49 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.34 -0.845 . . . . 2.28 110.691 176.055 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -64.18 -38.96 92.94 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.453 -0.339 . . . . 1.6 110.676 177.499 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -58.12 -45.0 88.05 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.041 -0.527 . . . . 2.04 110.639 176.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . 0.426 HD21 ' HA ' ' A' ' 65' ' ' ASN . 3.6 m120 -67.93 -37.65 81.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.298 -0.41 . . . . 1.94 111.082 178.594 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -63.01 -46.96 85.18 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.012 0.434 . . . . 1.16 110.434 177.09 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 41.5 tp -65.21 -36.87 85.51 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.944 -0.571 . . . . 1.26 110.669 178.416 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -59.3 -31.67 69.35 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.424 -0.353 . . . . 2.3 111.189 175.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 51.7 tptt . . . . . 0 C--N 1.325 -0.499 0 CA-C-O 121.595 0.712 . . . . 3.1 109.66 176.711 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 6.8 t80 . . . . . 0 C--O 1.234 0.241 0 CA-C-O 120.87 0.367 . . . . 1.82 110.017 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -70.87 -34.76 71.94 Favored 'General case' 0 CA--C 1.518 -0.254 0 CA-C-N 116.128 -0.487 . . . . 2.11 110.269 178.319 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -65.42 -44.58 86.92 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.913 -0.585 . . . . 4.28 109.785 177.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 55.5 ttp180 -63.33 -38.17 90.13 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.991 -0.549 . . . . 4.1 110.501 -177.529 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.48 ' HZ1' HD23 ' A' ' 14' ' ' LEU . 24.3 ttmm -71.07 -35.61 71.95 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.265 0.555 . . . . 2.82 110.247 177.456 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.418 ' O ' ' HB2' ' A' ' 90' ' ' HIS . 42.3 tt0 -70.1 -45.09 67.66 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.386 -0.824 . . . . 2.94 111.633 -178.488 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -64.46 -30.25 71.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.634 -0.257 . . . . 2.99 111.416 -175.698 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -62.43 -37.74 87.0 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.983 -0.377 . . . . 1.83 109.983 175.033 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . 0.418 ' HB2' ' O ' ' A' ' 87' ' ' GLU . 15.4 m-70 -61.38 -44.69 96.72 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.194 -0.457 . . . . 0.66 110.13 175.483 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 8.7 m -62.05 -38.84 90.28 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.779 -0.646 . . . . 1.39 111.015 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 66.8 tp -69.9 -49.46 51.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 1.22 110.65 -177.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 96.3 mt -63.87 -33.81 76.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 1.34 111.208 -176.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -69.02 -45.69 69.87 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.781 -0.368 . . . . 0.82 110.642 -179.562 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 76.3 tttt -59.52 -49.62 77.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.469 -0.332 . . . . 2.77 111.838 177.348 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 87.4 mt -59.36 -44.27 92.71 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.512 -0.313 . . . . 1.14 110.723 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 58.4 m -59.47 -45.56 91.3 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.693 0.282 . . . . 1.16 111.004 175.409 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -63.35 -47.22 83.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.15 -0.477 . . . . 3.1 111.166 -178.105 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.468 ' NE2' HD13 ' A' ' 32' ' ' LEU . 29.7 tt0 -62.18 -41.61 98.48 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.749 -0.659 . . . . 2.67 111.176 -176.801 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 72.2 mt -71.84 -41.77 67.73 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.39 -0.368 . . . . 1.16 110.961 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 24.1 tm0? -61.58 -44.4 97.08 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.461 -0.336 . . . . 2.34 110.2 -179.33 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -65.89 -42.16 95.08 Favored Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.572 -0.823 . . . . 0.51 111.997 177.426 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.456 ' O ' HG13 ' A' ' 107' ' ' ILE . 65.8 tp -65.73 -45.6 82.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.542 0.211 . . . . 1.33 111.214 -179.429 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -55.91 -47.37 77.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.243 -0.435 . . . . 1.11 111.258 -177.343 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 84.6 t -65.18 -35.52 75.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.989 0.423 . . . . 1.27 110.587 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 84.7 m -64.22 -42.11 96.73 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.718 -0.673 . . . . 1.27 111.091 178.382 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . 0.456 HG13 ' O ' ' A' ' 103' ' ' LEU . 71.3 mt -70.81 -40.92 77.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 1.31 111.263 -177.62 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 35.2 p -83.17 -10.62 58.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.157 0.503 . . . . 1.81 110.822 -176.601 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 25.6 mmm180 . . . . . 0 C--O 1.232 0.134 0 CA-C-N 115.085 -0.962 . . . . 6.45 111.307 178.513 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 . . . . . 0 C--O 1.232 0.18 0 N-CA-C 111.628 0.233 . . . . 2.19 111.628 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 16.8 Cg_exo -64.86 -39.67 24.56 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.791 2.327 . . . . 1.75 111.249 177.343 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 57.4 mt -60.75 -35.7 77.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.081 -0.963 . . . . 1.38 110.939 -178.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 9.9 tt0 -65.87 -39.31 90.57 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 116.627 -0.26 . . . . 3.13 110.992 179.689 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.89 -46.22 75.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.821 0.343 . . . . 1.28 110.778 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 57.0 tp -61.42 -37.21 82.69 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.887 -0.597 . . . . 1.67 111.065 174.744 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 30.3 ttm180 -59.53 -32.91 70.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.376 -0.375 . . . . 3.84 111.054 -179.562 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 20.1 mmm180 -59.16 -42.26 90.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.133 0.492 . . . . 4.35 110.039 174.305 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.59 ' HG3' HD22 ' A' ' 63' ' ' ASN . 32.0 tpt180 -70.92 -36.82 72.82 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.689 -0.687 . . . . 4.64 110.743 176.835 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 -64.13 -39.07 93.24 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-O 120.979 0.419 . . . . 1.34 110.58 175.447 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.531 ' O ' ' HG3' ' A' ' 26' ' ' GLN . 65.2 tt0 -62.1 -31.57 72.04 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.885 -0.598 . . . . 3.26 110.221 176.455 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -69.96 -38.22 76.04 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.585 -0.734 . . . . 2.14 109.154 179.422 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.444 ' O ' HG21 ' A' ' 28' ' ' VAL . 81.8 mt -68.99 -39.64 79.26 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.822 -0.626 . . . . 1.23 110.248 176.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.529 ' HZ1' ' HB3' ' A' ' 25' ' ' LYS . 4.6 mmmp? -57.19 -46.77 82.55 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-N 116.528 -0.306 . . . . 2.44 110.803 178.456 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.531 ' HG3' ' O ' ' A' ' 22' ' ' GLN . 26.1 mt-30 -59.53 -38.84 82.06 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.081 -0.508 . . . . 3.17 110.647 -179.606 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 -73.28 -35.62 66.2 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.058 -0.519 . . . . 1.91 111.412 -177.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.444 HG21 ' O ' ' A' ' 24' ' ' LEU . 70.2 t -68.92 -46.69 78.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-O 120.935 0.397 . . . . 1.15 110.132 -179.68 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -61.06 -36.05 78.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.961 -0.563 . . . . 1.21 110.359 177.018 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 66.6 m -64.82 -37.72 88.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.36 -0.382 . . . . 1.9 110.614 176.237 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 36.1 tp -64.22 -44.38 92.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 1.8 110.278 -179.749 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 96.0 mt -61.69 -38.39 87.66 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.038 -0.528 . . . . 1.39 110.472 177.398 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.582 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 50.9 m -65.14 -35.2 80.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.917 -0.583 . . . . 1.9 110.973 179.592 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -74.93 -39.92 61.11 Favored 'General case' 0 CA--C 1.52 -0.182 0 CA-C-O 121.037 0.446 . . . . 1.86 109.966 179.542 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 26.7 t -65.32 -11.14 38.82 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.749 -0.66 . . . . 1.94 110.962 179.341 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 25.7 tp60 -104.0 -11.13 17.58 Favored 'General case' 0 N--CA 1.449 -0.513 0 N-CA-C 109.595 -0.52 . . . . 3.55 109.595 -175.21 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.582 ' HG ' ' O ' ' A' ' 33' ' ' SER . 94.9 mt -76.32 135.77 39.57 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.669 -0.696 . . . . 1.43 110.629 -177.608 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 58.0 mttp -72.26 -29.86 64.31 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.408 -0.815 . . . . 4.11 110.444 179.618 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -70.36 -27.67 64.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.831 -0.622 . . . . 3.24 110.188 175.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -90.71 0.7 57.33 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.714 -0.676 . . . . 1.64 111.025 -177.755 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 29.4 tp -86.53 25.1 1.28 Allowed 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.801 0.81 . . . . 3.2 109.969 179.249 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -87.12 153.41 54.18 Favored Pre-proline 0 C--N 1.324 -0.522 0 CA-C-N 115.227 -0.897 . . . . 3.43 109.812 177.411 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_endo -54.48 -50.37 13.67 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.313 2.009 . . . . 2.0 113.913 -171.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 17.2 m120 -73.79 -30.94 63.03 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-O 120.59 0.233 . . . . 2.03 111.52 -171.62 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.452 ' O ' HG13 ' A' ' 49' ' ' ILE . 58.3 tptt -61.82 -32.24 72.54 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.669 -0.241 . . . . 2.52 110.561 178.683 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 83.5 mtm180 -59.47 -40.09 85.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.447 -0.342 . . . . 4.27 110.515 177.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -66.36 -38.38 87.46 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-O 121.036 0.446 . . . . 3.02 110.282 178.018 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 4.7 t60 -69.6 -38.26 77.21 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.737 -0.665 . . . . 1.15 110.228 -178.473 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.452 HG13 ' O ' ' A' ' 45' ' ' LYS . 74.4 mt -66.35 -46.04 87.99 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.445 -0.343 . . . . 1.37 110.4 178.712 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 81.2 t80 -54.57 -41.47 69.89 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.4 -0.364 . . . . 0.97 110.927 176.001 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 55.7 tp60 -69.64 -40.33 76.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.869 0.366 . . . . 1.98 110.457 178.568 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.46 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 27.2 tpt180 -63.48 -31.79 73.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.228 -0.442 . . . . 4.54 110.09 178.461 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . 0.44 ' SG ' ' HB3' ' A' ' 104' ' ' ALA . 42.8 t -66.59 -45.54 78.9 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.629 -0.714 . . . . 1.09 109.919 178.109 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 57.9 mt -59.85 -41.33 85.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.971 -0.559 . . . . 1.17 111.06 178.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -61.81 -51.03 69.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.465 -0.334 . . . . 3.22 111.222 -179.668 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.46 ' HG ' ' O ' ' A' ' 52' ' ' ARG . 68.2 mt -60.6 -37.89 82.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 1.07 111.558 177.424 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 39.7 ttpt -64.25 -38.6 91.62 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.015 0.436 . . . . 2.42 110.097 179.295 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 24.6 tp60 -63.94 -39.49 94.28 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.728 -0.669 . . . . 2.95 110.297 176.029 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.78 -39.67 93.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.289 -0.414 . . . . 1.07 111.213 178.538 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.451 HG13 ' O ' ' A' ' 56' ' ' LEU . 75.9 mt -64.25 -43.6 97.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.997 0.427 . . . . 1.16 110.348 177.88 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -64.51 -36.09 83.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.784 -0.644 . . . . 0.64 110.132 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -62.39 -45.9 91.05 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.843 -0.617 . . . . 2.28 110.292 176.461 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . 0.59 HD22 ' HG3' ' A' ' 20' ' ' ARG . 6.6 m-20 -63.74 -39.22 93.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.915 -0.584 . . . . 1.6 110.376 176.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 83.4 tttt -59.57 -41.24 89.72 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.93 -0.577 . . . . 2.04 110.3 178.138 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 9.7 m120 -66.89 -46.23 75.54 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.324 -0.398 . . . . 1.94 110.879 176.035 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -61.17 -39.11 88.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.107 -0.497 . . . . 1.16 110.842 179.663 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 50.6 tp -69.12 -40.77 78.1 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.894 -0.594 . . . . 1.26 111.069 179.18 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -60.2 -33.26 71.99 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.089 0.471 . . . . 2.3 110.827 176.541 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 25.8 tptp . . . . . 0 C--N 1.325 -0.496 0 CA-C-O 121.356 0.598 . . . . 3.1 110.414 179.405 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 31.9 t80 . . . . . 0 N--CA 1.464 0.228 0 CA-C-O 120.947 0.404 . . . . 1.82 109.948 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -67.34 -46.37 73.61 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.919 -0.582 . . . . 2.11 110.799 -176.214 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 26.9 mm-40 -70.72 -40.73 72.63 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.251 -0.431 . . . . 4.28 111.107 -179.74 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 24.3 tpp180 -63.1 -36.52 83.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.185 -0.462 . . . . 4.1 110.178 -179.445 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 36.0 ttmt -63.98 -38.69 92.0 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.797 -0.638 . . . . 2.82 110.747 177.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 44.4 mm-40 -71.89 -38.54 69.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 2.94 110.801 -179.707 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -59.61 -38.56 81.6 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.042 0.449 . . . . 2.99 110.286 176.712 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -65.86 -37.19 85.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.668 -0.696 . . . . 1.83 109.458 178.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 9.0 m-70 -63.83 -42.74 97.56 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 115.886 -0.597 . . . . 0.66 110.337 175.105 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 22.5 m -63.12 -34.95 78.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 1.39 111.558 -177.507 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.461 ' O ' ' HG ' ' A' ' 96' ' ' LEU . 65.2 tp -69.25 -51.42 37.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.824 0.345 . . . . 1.22 110.354 -179.178 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 95.3 mt -66.52 -32.88 74.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.109 -0.496 . . . . 1.34 110.787 -179.086 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -64.95 -44.98 87.65 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.972 -0.558 . . . . 0.82 111.113 -178.449 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 61.4 tttp -66.98 -39.9 87.3 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.644 0.259 . . . . 2.77 110.797 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.461 ' HG ' ' O ' ' A' ' 92' ' ' LEU . 86.5 mt -58.49 -40.95 84.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.403 -0.362 . . . . 1.14 110.288 176.003 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 31.1 m -58.98 -46.22 88.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.379 -0.373 . . . . 1.16 110.813 175.266 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -61.41 -47.09 87.37 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 116.167 -0.47 . . . . 3.1 111.255 -177.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -65.43 -46.02 81.57 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.797 -0.638 . . . . 2.67 111.443 -176.176 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 59.6 mt -64.71 -45.88 84.71 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.739 0.304 . . . . 1.16 110.655 -179.331 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 21.6 tm0? -62.63 -38.64 91.03 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.84 -0.618 . . . . 2.34 110.356 179.558 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -68.01 -45.61 71.63 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.925 -0.655 . . . . 0.51 111.936 178.154 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.438 ' O ' HG13 ' A' ' 107' ' ' ILE . 61.3 tp -65.27 -40.55 94.07 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.681 0.277 . . . . 1.33 110.73 -179.367 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.44 ' HB3' ' SG ' ' A' ' 53' ' ' CYS . . . -55.26 -43.26 74.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.071 -0.513 . . . . 1.11 110.94 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 84.7 t -67.35 -36.15 75.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 115.805 -0.634 . . . . 1.27 110.926 179.482 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 26.3 m -64.95 -39.34 93.35 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.004 0.43 . . . . 1.27 110.963 178.58 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . 0.438 HG13 ' O ' ' A' ' 103' ' ' LEU . 67.5 mt -70.28 -40.3 77.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 1.31 111.198 -178.351 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 8.3 p -83.86 -17.52 40.6 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.174 -0.466 . . . . 1.81 110.669 -177.494 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 43.8 mtp180 . . . . . 0 C--O 1.237 0.419 0 CA-C-N 115.304 -0.862 . . . . 6.45 112.368 176.33 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.96 0 N-CA-C 111.724 -0.55 . . . . 16.34 111.724 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 89.7 Cg_endo -86.43 26.78 0.61 Allowed 'Trans proline' 0 N--CA 1.461 -0.398 0 C-N-CA 122.969 2.446 . . . . 16.69 112.923 -178.527 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 88.1 mtp -127.8 30.76 5.24 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.23 0.538 . . . . 14.03 110.166 178.55 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -81.79 52.81 2.01 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.845 -0.616 . . . . 12.86 111.192 -177.495 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 25.7 ptt? -155.67 44.73 0.46 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.407 0.622 . . . . 12.51 110.131 179.138 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 74.5 mt -75.93 113.96 14.02 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.613 -0.722 . . . . 10.37 110.396 -178.6 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -83.18 -16.07 48.06 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.309 -0.405 . . . . 8.94 111.08 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 31.9 tpt180 -65.84 -66.32 0.56 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.988 -0.551 . . . . 9.92 110.969 -179.645 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 64.1 mtp180 56.05 57.52 5.03 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-O 121.349 0.595 . . . . 9.51 110.922 179.347 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 27.6 tt0 -84.01 79.14 9.6 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.436 -0.802 . . . . 7.54 110.343 -179.147 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 31.5 ttp180 -80.29 -59.0 2.87 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.681 -0.69 . . . . 7.69 111.022 -179.496 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.413 ' HA ' ' HD3' ' A' ' 13' ' ' PRO . 68.3 m-20 -64.81 128.08 93.26 Favored Pre-proline 0 C--N 1.324 -0.529 0 CA-C-N 115.364 -0.834 . . . . 2.19 111.361 -172.312 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 12' ' ' ASP . 38.2 Cg_exo -56.53 -28.69 75.25 Favored 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 123.314 2.676 . . . . 1.75 111.81 177.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 73.2 mt -57.55 -41.7 81.51 Favored 'General case' 0 C--O 1.225 -0.204 0 CA-C-N 115.929 -0.578 . . . . 1.38 110.853 178.022 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 7.7 tp-100 -68.46 -44.96 73.7 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.638 0.256 . . . . 3.13 110.814 -178.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.13 -45.18 94.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.194 0.521 . . . . 1.28 110.683 177.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 42.7 tp -65.99 -42.27 90.02 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.514 -0.766 . . . . 1.67 110.998 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 67.2 mtt180 -59.3 -37.47 77.8 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 120.497 0.189 . . . . 3.84 111.109 179.124 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 57.6 ttp180 -59.26 -46.0 89.69 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.224 0.535 . . . . 4.35 109.86 176.245 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 67.1 ttt180 -68.67 -38.97 80.8 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.606 -0.725 . . . . 4.64 111.156 177.691 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 90.0 m-20 -62.71 -39.44 94.04 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 120.643 0.258 . . . . 1.34 110.911 178.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.435 ' O ' ' HG3' ' A' ' 26' ' ' GLN . 47.6 tp60 -64.01 -32.88 74.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.163 0.506 . . . . 3.26 109.865 177.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -71.96 -38.46 69.75 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.553 -0.749 . . . . 2.14 109.787 179.534 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 82.7 mt -62.3 -43.5 98.69 Favored 'General case' 0 CA--C 1.518 -0.285 0 CA-C-N 116.102 -0.499 . . . . 1.23 110.075 175.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 55.7 tttm -59.02 -42.74 90.87 Favored 'General case' 0 N--CA 1.455 -0.181 0 CA-C-N 116.381 -0.372 . . . . 2.44 110.697 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.435 ' HG3' ' O ' ' A' ' 22' ' ' GLN . 79.6 mt-30 -61.37 -35.35 77.23 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.936 0.398 . . . . 3.17 110.682 179.513 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 -72.17 -34.66 68.62 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.055 -0.52 . . . . 1.91 110.566 178.101 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 69.4 t -68.05 -46.1 82.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-O 120.884 0.373 . . . . 1.15 110.051 178.232 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 41.7 m-20 -58.68 -35.77 73.12 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.034 -0.53 . . . . 1.21 110.331 176.261 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 13.5 t -69.62 -37.53 76.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.721 -0.672 . . . . 1.9 110.439 178.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 62.3 tp -65.87 -44.94 83.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.013 0.435 . . . . 1.8 109.924 178.2 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.482 ' HA ' ' OG ' ' A' ' 35' ' ' SER . 95.5 mt -60.39 -32.71 71.58 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.602 -0.726 . . . . 1.39 110.626 175.822 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.586 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 32.5 t -61.89 -32.66 73.05 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.309 -0.405 . . . . 1.9 110.461 176.601 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 36.9 mm-40 -73.24 -46.71 48.56 Favored 'General case' 0 C--O 1.227 -0.126 0 N-CA-C 109.886 -0.412 . . . . 1.86 109.886 176.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.482 ' OG ' ' HA ' ' A' ' 32' ' ' LEU . 26.7 p -65.35 -8.72 19.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.07 -0.514 . . . . 1.94 111.605 179.764 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 22.0 tp60 -100.26 -8.79 23.08 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.225 0.536 . . . . 3.55 109.674 -175.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.586 ' HG ' ' O ' ' A' ' 33' ' ' SER . 84.3 mt -83.44 143.28 30.37 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.708 -0.678 . . . . 1.43 110.445 -177.372 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 37.5 mtmm -71.89 -28.88 63.8 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.985 -0.552 . . . . 4.11 110.607 176.613 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -68.28 -18.52 64.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.338 0.589 . . . . 3.24 110.182 176.55 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -77.08 0.02 22.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.111 -0.495 . . . . 1.64 111.146 179.508 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 44.9 tp -71.59 -14.26 62.02 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.883 -0.599 . . . . 3.2 110.064 174.582 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -57.13 126.08 72.48 Favored Pre-proline 0 C--O 1.233 0.232 0 CA-C-N 115.776 -0.647 . . . . 3.43 110.004 175.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -51.66 -39.62 65.91 Favored 'Trans proline' 0 C--N 1.352 0.721 0 C-N-CA 123.269 2.646 . . . . 2.0 113.093 -178.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -68.43 -38.56 81.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.564 0.221 . . . . 2.03 111.417 -178.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 4.3 tppp? -62.24 -31.12 71.63 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.503 -0.317 . . . . 2.52 110.967 -177.51 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 24.1 mmm180 -57.89 -42.61 84.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.716 0.293 . . . . 4.27 110.533 -179.155 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -70.11 -33.72 72.21 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.098 0.475 . . . . 3.02 110.417 179.408 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 47.3 t60 -69.69 -38.82 77.15 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.725 -0.67 . . . . 1.15 110.358 -179.223 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 79.8 mt -67.78 -42.66 86.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 N-CA-C 109.593 -0.521 . . . . 1.37 109.593 175.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.439 ' CE2' ' HB2' ' A' ' 108' ' ' SER . 38.5 t80 -54.46 -41.15 69.15 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 115.471 -0.786 . . . . 0.97 111.124 176.565 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 51.6 tt0 -67.36 -45.94 74.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.819 0.342 . . . . 1.98 110.742 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.427 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 95.2 mtt180 -61.41 -34.23 75.03 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.221 -0.445 . . . . 4.54 110.911 178.524 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 0.466 ' SG ' ' HB2' ' A' ' 104' ' ' ALA . 48.6 t -67.78 -45.31 75.18 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.619 -0.719 . . . . 1.09 110.027 -177.872 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 63.9 mt -61.59 -40.79 87.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.01 -0.541 . . . . 1.17 111.029 178.657 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -61.82 -50.71 71.2 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.294 -0.412 . . . . 3.22 111.274 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.427 ' HG ' ' O ' ' A' ' 52' ' ' ARG . 73.1 mt -62.17 -40.42 95.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.62 -0.264 . . . . 1.07 111.592 177.618 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.403 ' HZ1' ' HB2' ' A' ' 101' ' ' GLN . 65.8 tttp -62.32 -39.68 93.85 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.013 0.435 . . . . 2.42 110.168 179.562 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 55.7 tp60 -64.19 -37.27 86.87 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.821 -0.627 . . . . 2.95 110.55 176.062 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -68.92 -43.5 75.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 1.07 111.052 -179.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.425 HG13 ' O ' ' A' ' 56' ' ' LEU . 70.8 mt -65.04 -41.72 92.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.866 0.365 . . . . 1.16 110.642 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -63.95 -36.5 84.15 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.226 -0.443 . . . . 0.64 110.039 178.753 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -62.27 -45.29 93.95 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.506 -0.77 . . . . 2.28 110.396 176.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -64.86 -38.44 91.0 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.291 -0.413 . . . . 1.6 110.623 176.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -62.11 -39.22 91.8 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.982 -0.554 . . . . 2.04 110.027 177.342 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 10.8 m120 -67.14 -42.5 84.31 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.21 -0.45 . . . . 1.94 110.553 176.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -62.38 -45.77 91.64 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.969 -0.56 . . . . 1.16 110.462 177.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 49.4 tp -60.81 -40.02 91.15 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.829 -0.623 . . . . 1.26 111.092 179.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -68.15 -33.12 73.89 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.462 -0.335 . . . . 2.3 111.098 178.011 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 55.6 tptt -77.66 -29.74 51.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.939 0.4 . . . . 3.1 110.401 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -87.81 52.52 2.5 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.513 0.673 . . . . 2.65 110.467 177.368 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 49.7 m -122.31 64.95 0.94 Allowed 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.439 -0.801 . . . . 3.15 109.019 175.374 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 45.5 pttt -75.57 77.62 2.58 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.464 -0.789 . . . . 6.43 111.606 -175.638 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -74.82 -21.48 59.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.488 . . . . 5.15 111.101 178.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 28.8 m-20 -71.0 -22.29 62.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.181 0.515 . . . . 6.87 110.0 177.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -97.39 148.76 22.85 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.821 -0.627 . . . . 6.68 109.389 176.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 3.2 p -79.26 66.1 4.61 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.003 0.43 . . . . 5.08 110.837 179.263 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.408 ' H ' ' CD ' ' A' ' 78' ' ' PRO . . . -119.42 -46.82 0.04 OUTLIER Pre-proline 0 CA--C 1.538 0.487 0 CA-C-N 116.03 -0.532 . . . . 5.04 112.423 -179.064 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.416 ' HB3' ' OD1' ' A' ' 83' ' ' ASN . 38.0 Cg_exo -63.1 95.6 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 C-N-CA 122.118 1.879 . . . . 4.46 112.513 178.738 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 47.3 t -116.31 105.02 17.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.344 -0.389 . . . . 3.99 110.85 178.352 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . 48.28 -91.27 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 113.51 0.93 . . . . 2.78 113.51 172.589 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -61.15 -25.23 66.86 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 120.794 0.331 . . . . 3.44 111.211 -177.113 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 31.3 t80 -61.69 -47.08 86.92 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.155 -0.475 . . . . 1.82 109.785 177.502 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.416 ' OD1' ' HB3' ' A' ' 78' ' ' PRO . 91.2 m-20 -72.74 -30.06 63.86 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.233 -0.44 . . . . 2.11 110.886 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 60.0 tp60 -65.46 -50.47 65.24 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.848 -0.615 . . . . 4.28 110.485 177.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -63.48 -36.74 84.77 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.3 -0.409 . . . . 4.1 110.472 179.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 20.3 ttmm -61.12 -41.96 97.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.791 -0.64 . . . . 2.82 110.909 178.278 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.414 ' O ' ' HB2' ' A' ' 90' ' ' HIS . 5.0 tp10 -72.5 -42.16 65.14 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.437 -0.347 . . . . 2.94 111.045 -179.448 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -63.62 -31.17 72.26 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.464 -0.334 . . . . 2.99 110.888 179.321 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 23.1 tp10 -66.6 -36.24 82.15 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.688 -0.486 . . . . 1.83 109.688 178.243 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . 0.414 ' HB2' ' O ' ' A' ' 87' ' ' GLU . 9.2 m-70 -58.57 -41.04 84.78 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 115.885 -0.598 . . . . 0.66 110.287 174.157 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 20.0 m -62.51 -43.19 99.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.933 -0.576 . . . . 1.39 111.564 -177.203 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 57.7 tp -70.16 -50.92 35.51 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 116.439 -0.346 . . . . 1.22 110.788 -177.477 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 97.5 mt -63.37 -33.59 75.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.052 -0.522 . . . . 1.34 110.928 -177.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -68.03 -45.18 74.68 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.431 -0.349 . . . . 0.82 110.794 -177.56 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 40.4 ttpt -60.67 -43.99 97.0 Favored 'General case' 0 CA--C 1.519 -0.215 0 C-N-CA 121.069 -0.252 . . . . 2.77 110.702 178.02 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 92.8 mt -59.53 -40.63 87.82 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.222 -0.444 . . . . 1.14 110.513 176.424 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 28.2 m -58.17 -48.52 80.04 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.675 0.274 . . . . 1.16 110.945 174.646 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . 0.415 ' HA ' ' OE1' ' A' ' 98' ' ' GLN . 13.0 mm-40 -68.56 -35.41 77.37 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.323 -0.398 . . . . 3.1 111.139 -178.474 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -59.23 -47.28 85.92 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.069 -0.514 . . . . 2.67 110.137 178.048 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.426 ' HB3' ' SG ' ' A' ' 53' ' ' CYS . 87.9 mt -71.11 -45.19 64.13 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.686 -0.688 . . . . 1.16 110.834 179.546 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . 0.403 ' HB2' ' HZ1' ' A' ' 57' ' ' LYS . 22.7 tm0? -60.86 -44.47 96.98 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.135 -0.484 . . . . 2.34 110.717 -176.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -64.8 -43.58 95.97 Favored Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 120.705 -0.76 . . . . 0.51 111.756 178.491 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.415 ' O ' HG13 ' A' ' 107' ' ' ILE . 58.0 tp -65.61 -44.18 87.34 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.596 0.236 . . . . 1.33 110.605 179.594 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.466 ' HB2' ' SG ' ' A' ' 53' ' ' CYS . . . -58.13 -46.93 84.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.474 . . . . 1.11 111.353 -177.701 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 68.9 t -65.18 -40.31 88.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 120.949 0.404 . . . . 1.27 110.539 179.215 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 89.9 m -61.06 -41.61 96.94 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.93 -0.577 . . . . 1.27 110.96 179.069 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . 0.445 ' HA ' ' OE1' ' A' ' 110' ' ' GLU . 72.6 mt -74.09 -37.34 46.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 121.231 0.539 . . . . 1.31 110.668 178.715 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' SER . . . . . 0.439 ' HB2' ' CE2' ' A' ' 50' ' ' TYR . 21.7 t -65.84 -23.34 66.65 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.059 -0.519 . . . . 1.81 110.721 -178.079 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 26.2 tpt180 -95.27 16.07 17.62 Favored 'General case' 0 N--CA 1.452 -0.325 0 CA-C-O 121.445 0.64 . . . . 6.45 110.411 178.711 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.445 ' OE1' ' HA ' ' A' ' 107' ' ' ILE . 45.0 mt-10 -94.7 -2.23 51.57 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.499 0.666 . . . . 6.0 109.345 172.216 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 16.1 m120 -104.79 54.05 0.72 Allowed 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.276 -0.875 . . . . 7.13 110.025 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 27.6 mt -83.66 60.43 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 121.682 0.753 . . . . 8.73 110.036 -178.639 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 15.3 p -95.13 -60.37 1.69 Allowed 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.498 -0.774 . . . . 9.67 109.974 178.025 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -74.49 115.05 13.6 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 115.466 -0.788 . . . . 11.2 110.089 178.318 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 15.8 m -106.24 28.31 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-O 121.42 0.628 . . . . 12.46 110.645 178.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -153.65 -169.9 19.14 Favored Glycine 0 N--CA 1.446 -0.67 0 CA-C-N 115.299 -0.864 . . . . 13.58 111.532 179.395 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -123.94 82.73 55.55 Favored Pre-proline 0 C--N 1.324 -0.532 0 CA-C-O 120.606 0.241 . . . . 16.1 110.813 -179.483 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 97.1 Cg_endo -80.57 155.35 21.21 Favored 'Trans proline' 0 N--CA 1.458 -0.571 0 C-N-CA 122.143 1.896 . . . . 18.52 111.849 179.359 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 12.6 p . . . . . 0 C--O 1.253 1.242 0 CA-C-O 118.478 -0.773 . . . . 20.33 110.709 178.442 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.756 0 N-CA-C 111.369 -0.693 . . . . 16.34 111.369 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_endo -53.74 -31.81 62.87 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 123.262 2.642 . . . . 16.69 112.634 -177.347 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 24.4 ptt? -131.17 28.26 4.76 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.062 0.458 . . . . 14.03 110.206 178.302 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -151.18 102.09 2.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.871 -0.604 . . . . 12.86 111.393 -177.203 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 13.1 tpt -82.63 90.47 6.82 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.054 -0.521 . . . . 12.51 110.04 175.247 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 41.4 tp -134.29 81.44 1.91 Allowed 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.062 0.458 . . . . 10.37 109.998 178.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -83.37 102.63 12.15 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.995 -0.548 . . . . 8.94 110.802 -178.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 31.5 mmm180 -111.95 152.92 27.51 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.91 -0.586 . . . . 9.92 109.662 179.595 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 42.9 ttp180 -83.97 54.38 2.9 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.531 0.681 . . . . 9.51 110.167 -178.49 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -152.33 63.59 0.82 Allowed 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.977 0.894 . . . . 7.54 109.068 178.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 13.0 ptm180 -140.0 -38.06 0.47 Allowed 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 114.477 -1.238 . . . . 7.69 109.763 -179.045 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 -133.52 71.75 75.25 Favored Pre-proline 0 C--N 1.325 -0.468 0 CA-C-N 115.484 -0.78 . . . . 2.19 109.495 177.585 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -58.41 -38.49 90.08 Favored 'Trans proline' 0 C--N 1.349 0.581 0 C-N-CA 122.835 2.357 . . . . 1.75 112.402 -178.148 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.463 ' O ' ' HB2' ' A' ' 18' ' ' ARG . 66.0 mt -67.23 -32.8 74.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.43 -0.35 . . . . 1.38 110.074 -179.492 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -74.5 -41.64 60.32 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.245 -0.434 . . . . 3.13 111.129 178.5 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.78 -45.73 88.45 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.845 0.355 . . . . 1.28 110.32 176.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 53.8 tp -65.94 -35.06 79.58 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.94 -0.573 . . . . 1.67 110.756 177.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.463 ' HB2' ' O ' ' A' ' 14' ' ' LEU . 57.4 ttt180 -57.19 -36.24 70.59 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.362 -0.381 . . . . 3.84 110.737 -178.52 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 41.9 ttp180 -64.09 -44.48 92.22 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.071 0.462 . . . . 4.35 110.189 176.658 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 73.0 ttt180 -70.17 -35.32 73.91 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.715 -0.675 . . . . 4.64 110.615 179.391 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 92.7 m-20 -63.71 -41.66 98.07 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 120.848 0.356 . . . . 1.34 110.334 175.779 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -64.27 -32.43 74.02 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.098 -0.501 . . . . 3.26 110.444 178.441 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 17.3 tp10 -62.58 -45.64 92.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.244 0.545 . . . . 2.14 110.044 176.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 84.7 mt -67.27 -41.93 84.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.798 -0.637 . . . . 1.23 110.487 178.028 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 28.3 ttpp -60.45 -38.97 85.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.815 -0.629 . . . . 2.44 111.163 -177.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 56.2 tt0 -61.39 -45.0 96.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.376 0.607 . . . . 3.17 110.341 178.569 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 -61.91 -42.79 99.5 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.141 -0.936 . . . . 1.91 110.815 178.507 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 75.6 t -57.51 -49.11 81.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.099 -0.5 . . . . 1.15 111.438 176.401 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -63.49 -38.95 93.09 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 120.596 0.236 . . . . 1.21 111.238 -179.082 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 29.6 t -63.31 -35.87 81.8 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.099 0.476 . . . . 1.9 110.389 178.653 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 38.2 tp -70.33 -45.6 65.85 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.031 -0.531 . . . . 1.8 110.133 -179.71 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 94.4 mt -60.6 -34.6 74.45 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.491 -0.777 . . . . 1.39 111.118 178.442 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 32.3 t -67.89 -46.73 70.8 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.354 -0.384 . . . . 1.9 110.432 179.341 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -66.64 -27.79 67.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.907 0.384 . . . . 1.86 111.001 179.063 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 32.4 t -62.14 -23.98 66.89 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.876 -0.602 . . . . 1.94 111.874 179.2 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 58.3 tp60 -89.41 -17.25 29.14 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.022 0.439 . . . . 3.55 110.588 -177.116 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 93.9 mt -66.5 130.0 41.73 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.835 -0.621 . . . . 1.43 110.716 -176.396 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 22.1 pttp -67.94 -28.15 67.23 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.854 -0.612 . . . . 4.11 110.595 179.764 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -67.7 -20.17 65.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 3.24 110.901 175.541 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -86.46 0.8 53.41 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.147 -0.479 . . . . 1.64 111.404 -177.731 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 61.5 tp -68.15 -15.78 63.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.114 -0.494 . . . . 3.2 110.654 178.1 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.458 ' OE1' ' HD2' ' A' ' 43' ' ' PRO . 16.6 tp10 -51.06 121.09 15.1 Favored Pre-proline 0 C--N 1.331 -0.228 0 CA-C-N 115.754 -0.657 . . . . 3.43 110.168 174.551 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.458 ' HD2' ' OE1' ' A' ' 42' ' ' GLU . 76.9 Cg_exo -51.32 -32.95 43.65 Favored 'Trans proline' 0 C--N 1.35 0.627 0 C-N-CA 123.193 2.595 . . . . 2.0 113.45 -178.791 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 -72.68 -33.29 66.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.178 0.513 . . . . 2.03 110.137 178.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 22.5 tptm -76.35 -36.12 58.37 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.87 -0.604 . . . . 2.52 109.804 177.15 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.421 ' HG3' ' O ' ' A' ' 42' ' ' GLU . 19.7 mtm180 -61.77 -42.6 99.19 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.478 -0.328 . . . . 4.27 110.331 177.397 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 -65.69 -35.61 81.25 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.92 0.391 . . . . 3.02 110.629 175.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.42 ' O ' ' HG2' ' A' ' 52' ' ' ARG . 17.5 t60 -66.23 -40.26 90.13 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.891 -0.595 . . . . 1.15 109.716 178.409 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 79.1 mt -67.02 -44.02 88.62 Favored 'Isoleucine or valine' 0 C--O 1.233 0.224 0 CA-C-N 116.03 -0.532 . . . . 1.37 110.381 176.79 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 59.5 t80 -58.87 -41.1 86.25 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.175 -0.466 . . . . 0.97 110.491 177.696 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 49.5 tp60 -67.76 -38.83 83.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.074 -0.512 . . . . 1.98 110.458 -179.736 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.518 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 28.4 mmt180 -62.99 -40.23 97.12 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.391 -0.368 . . . . 4.54 110.447 177.005 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 0.658 ' SG ' ' HB3' ' A' ' 100' ' ' LEU . 46.4 t -57.83 -40.42 79.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.483 -0.326 . . . . 1.09 111.054 175.903 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 64.5 mt -71.04 -40.06 75.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 121.416 0.627 . . . . 1.17 110.039 179.099 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 49.8 tt0 -60.99 -46.87 88.99 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.249 -0.887 . . . . 3.22 111.159 178.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.518 ' HG ' ' O ' ' A' ' 52' ' ' ARG . 77.2 mt -70.4 -34.87 73.05 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.403 -0.362 . . . . 1.07 110.49 -177.839 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 23.1 ttmm -57.3 -38.63 74.28 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.062 0.458 . . . . 2.42 110.248 177.599 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 -72.0 -39.59 69.13 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.702 -0.681 . . . . 2.95 110.344 179.603 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.71 -42.14 91.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.57 -0.741 . . . . 1.07 111.232 179.224 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.421 HG13 ' O ' ' A' ' 56' ' ' LEU . 86.7 mt -65.47 -41.21 90.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 121.067 0.461 . . . . 1.16 110.119 178.129 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -59.72 -36.59 76.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.656 -0.702 . . . . 0.64 110.341 177.075 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -62.25 -45.86 91.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.74 -0.664 . . . . 2.28 110.551 179.611 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -63.61 -43.5 96.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.347 -0.388 . . . . 1.6 110.522 177.524 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -55.85 -41.27 74.08 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.752 -0.658 . . . . 2.04 110.82 176.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -69.77 -41.96 74.47 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.192 -0.458 . . . . 1.94 110.979 178.26 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.13 -45.93 89.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.033 0.444 . . . . 1.16 110.517 177.643 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 46.0 tp -63.1 -29.19 70.61 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.399 -0.819 . . . . 1.26 111.135 178.608 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -76.24 -23.5 54.52 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.049 -0.523 . . . . 2.3 109.905 -177.611 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 62.0 tttm -90.93 -28.27 18.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.064 -0.516 . . . . 3.1 109.865 176.304 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 95.7 mt -82.37 43.08 0.79 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.355 0.597 . . . . 2.65 110.31 175.592 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 45.8 t -142.68 119.63 11.31 Favored 'General case' 0 N--CA 1.444 -0.768 0 CA-C-N 115.565 -0.743 . . . . 3.15 109.454 -178.187 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 20.5 pttm -117.13 63.45 0.73 Allowed 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.246 0.546 . . . . 6.43 110.015 176.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -66.49 -26.49 67.2 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.751 -0.659 . . . . 5.15 111.473 -177.404 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -71.91 -15.91 62.1 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.998 0.428 . . . . 6.87 110.481 179.059 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -85.51 143.9 28.26 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.001 -0.545 . . . . 6.68 110.01 177.764 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 14.4 m -80.1 63.35 4.57 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.07 0.462 . . . . 5.08 110.919 -178.544 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -89.38 117.01 67.8 Favored Pre-proline 0 C--N 1.323 -0.557 0 CA-C-N 115.971 -0.559 . . . . 5.04 110.133 178.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -76.49 56.85 5.26 Favored 'Trans proline' 0 CA--C 1.53 0.288 0 C-N-CA 122.644 2.23 . . . . 4.46 112.585 -178.067 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 3.6 m -133.08 74.25 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 121.458 0.647 . . . . 3.99 110.409 179.218 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.58 -36.12 81.7 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.473 -0.785 . . . . 2.78 112.268 -175.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -69.14 -31.06 69.47 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.756 0.312 . . . . 3.44 110.219 -178.448 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 26.4 t80 -61.7 -41.45 97.6 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.508 -0.553 . . . . 1.82 109.508 175.237 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 92.7 m-20 -70.93 -35.71 72.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.985 -0.552 . . . . 2.11 110.971 -178.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . 0.404 ' HA ' ' OE1' ' A' ' 84' ' ' GLN . 6.9 tp60 -70.65 -50.21 39.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.143 -0.48 . . . . 4.28 110.972 179.812 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.456 ' O ' ' HG2' ' A' ' 89' ' ' GLU . 41.3 ttt180 -64.68 -28.32 69.53 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.877 0.37 . . . . 4.1 110.465 -179.446 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 29.5 ttmt -56.81 -40.68 76.43 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.971 -0.558 . . . . 2.82 110.358 179.621 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 25.9 mm-40 -72.09 -33.39 67.84 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.599 -0.728 . . . . 2.94 110.676 178.566 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -65.63 -38.09 88.4 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.266 -0.425 . . . . 2.99 110.691 176.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.456 ' HG2' ' O ' ' A' ' 85' ' ' ARG . 5.4 mm-40 -65.54 -36.13 82.89 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.828 -0.434 . . . . 1.83 109.828 176.206 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 8.0 m-70 -58.29 -45.18 88.42 Favored 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 109.625 -0.509 . . . . 0.66 109.625 171.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 30.1 m -62.31 -42.69 99.58 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 115.244 -0.889 . . . . 1.39 111.104 -177.556 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 66.7 tp -57.15 -50.35 73.1 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 116.671 -0.241 . . . . 1.22 111.636 177.553 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 95.1 mt -64.28 -38.22 90.28 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.397 0.618 . . . . 1.34 110.438 -179.162 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -67.57 -28.16 67.54 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.375 -0.829 . . . . 0.82 110.523 177.391 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 63.1 tttp -75.59 -41.84 53.5 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.08 -0.711 . . . . 2.77 109.08 -175.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 81.8 mt -65.65 -35.26 80.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.284 -0.871 . . . . 1.14 109.993 178.626 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 62.4 m -67.39 -38.94 85.48 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 115.832 -0.622 . . . . 1.16 109.721 179.052 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 61.3 tt0 -62.09 -43.58 98.53 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.698 -0.683 . . . . 3.1 111.052 179.347 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 12.4 mm100 -61.46 -41.04 96.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.387 -0.369 . . . . 2.67 110.906 -179.621 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.658 ' HB3' ' SG ' ' A' ' 53' ' ' CYS . 92.9 mt -71.35 -35.47 71.17 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.049 -0.523 . . . . 1.16 110.674 178.327 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 22.5 tm0? -64.91 -31.89 73.34 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.507 -0.769 . . . . 2.34 110.759 -178.248 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -73.18 -39.86 51.59 Favored Glycine 0 N--CA 1.449 -0.498 0 N-CA-C 110.429 -1.068 . . . . 0.51 110.429 -178.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.415 ' O ' HG13 ' A' ' 107' ' ' ILE . 60.7 tp -70.73 -44.2 67.34 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 114.807 -0.697 . . . . 1.33 110.786 179.154 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.49 ' HB3' ' SG ' ' A' ' 53' ' ' CYS . . . -55.25 -46.1 76.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.017 -0.538 . . . . 1.11 111.705 -176.076 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 88.1 t -65.39 -39.33 84.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-O 121.057 0.456 . . . . 1.27 110.719 179.367 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 91.4 m -65.39 -34.88 79.34 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.04 -0.527 . . . . 1.27 111.275 179.585 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . 0.415 HG13 ' O ' ' A' ' 103' ' ' LEU . 66.3 mt -79.65 -27.86 12.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.786 0.327 . . . . 1.31 111.528 179.698 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 9.4 p -86.5 -20.28 28.28 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.377 0.608 . . . . 1.81 109.83 -174.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 26.3 ttm180 -109.62 92.19 3.95 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.5 -0.773 . . . . 6.45 109.226 173.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -78.5 54.95 1.53 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.903 -0.59 . . . . 6.0 111.418 -176.39 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -127.23 42.93 3.23 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.715 -0.675 . . . . 7.13 109.42 179.062 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.416 ' C ' ' HG1' ' A' ' 113' ' ' THR . 68.0 mt -63.9 112.45 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.543 -0.753 . . . . 8.73 110.823 -174.829 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' THR . . . . . 0.416 ' HG1' ' C ' ' A' ' 112' ' ' ILE . 64.6 p 55.49 21.21 4.2 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 123.965 0.906 . . . . 9.67 112.076 -177.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -100.99 127.47 47.47 Favored 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 109.738 -0.467 . . . . 11.2 109.738 178.01 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . 0.449 ' HA ' ' HG3' ' A' ' 118' ' ' PRO . 6.0 m -104.39 47.41 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-N 115.905 -0.589 . . . . 12.46 111.872 -173.648 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -86.31 74.04 2.43 Favored Glycine 0 N--CA 1.45 -0.381 0 N-CA-C 111.288 -0.725 . . . . 13.58 111.288 175.226 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . 0.4 ' N ' ' HD3' ' A' ' 118' ' ' PRO . . . 51.89 61.56 12.15 Favored Pre-proline 0 CA--C 1.534 0.363 0 C-N-CA 123.106 0.562 . . . . 16.1 112.262 -177.141 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . 0.449 ' HG3' ' HA ' ' A' ' 115' ' ' VAL . 96.8 Cg_endo -92.48 108.12 0.22 Allowed 'Trans proline' 0 N--CA 1.453 -0.901 0 C-N-CA 122.439 2.093 . . . . 18.52 111.885 175.868 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 24.4 m . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.523 -0.751 . . . . 20.33 109.975 -179.754 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.69 0 N-CA-C 111.881 -0.487 . . . . 16.34 111.881 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 66.9 Cg_endo -75.19 153.38 40.83 Favored 'Trans proline' 0 N--CA 1.461 -0.402 0 C-N-CA 122.566 2.177 . . . . 16.69 111.981 178.602 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 51.9 ttm -97.0 117.64 31.62 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.457 -0.338 . . . . 14.03 110.461 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -82.79 101.08 10.7 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.128 -0.487 . . . . 12.86 110.558 178.735 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 53.3 ttm -133.48 82.1 1.97 Allowed 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.143 0.497 . . . . 12.51 110.221 179.126 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 55.4 mt -83.49 82.21 8.39 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.816 -0.629 . . . . 10.37 109.795 178.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -82.6 54.43 2.64 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.044 -0.525 . . . . 8.94 111.876 -174.696 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 75.1 mtt180 55.33 71.79 0.52 Allowed 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 115.735 -0.666 . . . . 9.92 111.943 174.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 85.3 mtm180 -100.49 138.13 37.97 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.24 -0.437 . . . . 9.51 110.118 177.115 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 8.8 tp-100 -134.42 131.02 37.68 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.031 -0.531 . . . . 7.54 110.399 -178.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 61.7 ttt180 -105.78 133.83 49.88 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 116.264 -0.425 . . . . 7.69 110.037 175.576 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -125.69 90.33 50.71 Favored Pre-proline 0 C--N 1.321 -0.647 0 CA-C-N 116.264 -0.425 . . . . 2.19 110.45 178.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_exo -60.63 -29.45 88.47 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.526 2.151 . . . . 1.75 111.589 178.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 95.9 mt -63.27 -37.54 87.66 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.885 -0.598 . . . . 1.38 110.539 176.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -67.38 -42.51 83.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 3.13 110.557 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.13 -44.32 80.18 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.093 0.473 . . . . 1.28 110.601 177.269 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.422 HD21 ' HB2' ' A' ' 67' ' ' LEU . 53.8 tp -63.28 -39.53 94.83 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.721 -0.672 . . . . 1.67 111.647 179.807 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 26.6 ttm180 -59.09 -33.14 70.47 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 120.795 0.331 . . . . 3.84 110.797 178.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 71.8 ttt180 -66.91 -44.38 80.89 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.865 -0.42 . . . . 4.35 109.865 174.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.465 ' HG3' HD22 ' A' ' 63' ' ' ASN . 30.2 tpt180 -64.84 -36.98 86.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.951 -0.568 . . . . 4.64 110.221 179.08 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 -65.59 -37.87 87.89 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.34 -0.391 . . . . 1.34 110.674 175.369 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 48.4 tt0 -66.46 -30.16 70.44 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.433 -0.349 . . . . 3.26 110.37 178.454 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.453 ' O ' ' HG3' ' A' ' 27' ' ' GLN . 43.4 mt-10 -65.64 -46.15 80.33 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.243 -0.651 . . . . 2.14 109.243 178.025 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.414 ' O ' HG22 ' A' ' 28' ' ' VAL . 65.0 mt -66.7 -35.42 80.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.559 -0.746 . . . . 1.23 110.318 178.065 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -58.21 -42.9 87.22 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.211 -0.449 . . . . 2.44 110.09 177.662 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -67.86 -34.96 77.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.045 -0.525 . . . . 3.17 110.587 179.364 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.453 ' HG3' ' O ' ' A' ' 23' ' ' GLU . 28.2 mt-30 -68.7 -34.72 76.14 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.885 -0.598 . . . . 1.91 110.17 -179.451 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.414 HG22 ' O ' ' A' ' 24' ' ' LEU . 77.7 t -68.97 -46.11 79.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 115.948 -0.569 . . . . 1.15 110.283 176.733 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -59.91 -38.66 82.92 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 116.324 -0.398 . . . . 1.21 110.522 177.425 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 22.9 t -62.85 -43.55 98.49 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.174 -0.466 . . . . 1.9 109.992 177.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 61.8 tp -58.75 -48.49 81.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.864 0.364 . . . . 1.8 110.26 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 96.7 mt -60.73 -33.56 73.1 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.603 -0.726 . . . . 1.39 111.03 -179.626 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 23.1 m -67.55 -41.59 84.01 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.266 -0.425 . . . . 1.9 110.93 179.111 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -77.16 -26.13 52.69 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.058 0.456 . . . . 1.86 111.254 -178.586 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 53.7 m -71.56 -12.74 61.52 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 112.335 0.494 . . . . 1.94 112.335 -174.008 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.493 ' HA ' ' OE1' ' A' ' 36' ' ' GLN . 11.7 mm-40 -104.63 8.91 35.37 Favored 'General case' 0 C--N 1.327 -0.377 0 O-C-N 122.078 -0.389 . . . . 3.55 110.96 -177.323 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 91.2 mt -76.33 141.31 41.61 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.398 -0.364 . . . . 1.43 110.394 -179.734 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -71.73 -30.69 65.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 4.11 110.239 177.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -70.43 -17.68 63.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.992 -0.549 . . . . 3.24 110.727 177.612 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.409 ' HB3' HD12 ' A' ' 49' ' ' ILE . . . -79.17 -0.17 30.78 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.168 -0.469 . . . . 1.64 110.823 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 43.2 tp -75.0 -15.31 60.66 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.922 -0.581 . . . . 3.2 110.453 177.049 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 30.0 mm-40 -63.33 138.69 97.42 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.205 -0.452 . . . . 3.43 110.674 -179.139 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 10.5 Cg_endo -52.67 -48.75 20.34 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.359 2.039 . . . . 2.0 113.436 -171.767 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 56.3 m-80 -72.75 -44.81 61.16 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.625 0.25 . . . . 2.03 110.848 -176.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 69.9 tttt -64.97 -31.84 73.27 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.786 0.327 . . . . 2.52 110.848 -179.51 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 26.8 ttm180 -61.64 -40.08 93.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.127 0.489 . . . . 4.27 110.023 175.368 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.45 ' HA ' HE21 ' A' ' 47' ' ' GLN . 0.0 OUTLIER -68.78 -31.0 69.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.93 -0.577 . . . . 3.02 110.631 177.098 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 46.7 t60 -61.1 -34.65 75.27 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.312 -0.403 . . . . 1.15 110.418 179.16 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.409 HD12 ' HB3' ' A' ' 40' ' ' ALA . 78.5 mt -64.76 -49.73 78.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.985 0.422 . . . . 1.37 110.116 175.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 44.1 t80 -54.63 -40.27 68.79 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 115.821 -0.627 . . . . 0.97 110.852 174.539 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 40.9 tp60 -64.42 -41.57 96.53 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.277 -0.42 . . . . 1.98 110.447 178.534 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.618 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 75.2 mtt180 -60.75 -40.43 92.46 Favored 'General case' 0 CA--C 1.516 -0.335 0 CA-C-N 116.223 -0.444 . . . . 4.54 110.581 176.849 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 0.644 ' SG ' ' HB1' ' A' ' 104' ' ' ALA . 45.8 t -64.3 -44.25 92.18 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.513 -0.767 . . . . 1.09 110.512 -175.097 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 69.1 mt -58.37 -43.56 86.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.165 -0.47 . . . . 1.17 111.161 178.245 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -64.01 -49.49 72.21 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.18 -0.464 . . . . 3.22 111.266 -179.317 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.618 ' HG ' ' O ' ' A' ' 52' ' ' ARG . 43.9 mt -61.02 -36.82 80.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.341 -0.39 . . . . 1.07 111.645 179.321 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 60.9 tttp -62.27 -46.61 88.01 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.121 0.486 . . . . 2.42 110.15 179.215 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 8.3 tp-100 -61.3 -37.35 82.91 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.581 -0.736 . . . . 2.95 110.895 177.642 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.16 -40.54 94.48 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.266 -0.425 . . . . 1.07 111.473 179.156 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 74.9 mt -63.45 -40.74 90.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 121.096 0.474 . . . . 1.16 110.11 177.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -62.58 -36.38 82.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.732 -0.667 . . . . 0.64 110.153 178.687 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -61.37 -45.42 94.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.851 -0.613 . . . . 2.28 110.444 178.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . 0.465 HD22 ' HG3' ' A' ' 20' ' ' ARG . 5.9 m-20 -66.58 -42.24 87.29 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.03 -0.532 . . . . 1.6 110.529 178.281 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -58.53 -42.32 87.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 2.04 110.579 177.342 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 95.5 m-20 -66.08 -36.86 84.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.106 -0.497 . . . . 1.94 110.939 179.378 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -64.39 -46.39 83.52 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.115 0.483 . . . . 1.16 110.448 177.58 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.422 ' HB2' HD21 ' A' ' 17' ' ' LEU . 32.7 tp -67.63 -43.44 80.39 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.73 -0.668 . . . . 1.26 111.093 -179.016 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 27.8 tt0 -64.66 -22.05 66.88 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.003 0.43 . . . . 2.3 111.261 178.046 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 64.2 tttp -79.68 -22.84 42.94 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.329 0.585 . . . . 3.1 109.875 176.269 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 52.3 tp -88.31 158.25 18.5 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.369 -0.832 . . . . 2.65 110.596 -178.764 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 12.9 t 69.04 61.5 0.32 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.25 0.547 . . . . 3.15 110.494 176.372 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 55.7 pttt -60.96 139.97 57.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.645 -0.707 . . . . 6.43 109.945 176.003 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.04 -20.93 60.48 Favored 'General case' 0 C--O 1.232 0.182 0 N-CA-C 113.267 0.84 . . . . 5.15 113.267 -170.365 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -84.35 -24.11 29.88 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.824 0.345 . . . . 6.87 110.977 -179.539 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -140.37 95.85 2.94 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.004 0.43 . . . . 6.68 110.214 -177.084 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.5 ' O ' ' HD3' ' A' ' 78' ' ' PRO . 70.8 m -149.53 110.87 4.43 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.72 -0.673 . . . . 5.08 109.376 176.35 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -73.69 108.83 5.38 Favored Pre-proline 0 C--N 1.327 -0.385 0 O-C-N 123.414 0.447 . . . . 5.04 111.48 -176.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.5 ' HD3' ' O ' ' A' ' 76' ' ' SER . 97.9 Cg_endo -94.33 58.22 0.3 Allowed 'Trans proline' 0 N--CA 1.45 -1.045 0 C-N-CA 122.995 2.463 . . . . 4.46 111.717 178.135 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 60.0 t -67.53 -73.56 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.042 -0.526 . . . . 3.99 111.081 -176.515 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -149.25 -84.45 0.1 Allowed 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 121.02 -0.272 . . . . 2.78 111.504 178.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 10.0 p30 -76.96 -15.17 59.74 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 121.253 -0.179 . . . . 3.44 111.187 -175.125 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 11.8 t80 -57.13 -38.41 73.44 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.836 0.35 . . . . 1.82 110.129 178.123 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.484 ' OD1' ' HA ' ' A' ' 78' ' ' PRO . 77.7 m-20 -69.76 -46.43 65.84 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.163 -0.471 . . . . 2.11 110.729 -178.19 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . 0.533 ' O ' ' HG2' ' A' ' 88' ' ' GLU . 57.6 tp60 -71.37 -43.73 66.37 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.994 -0.548 . . . . 4.28 111.106 -175.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 9.8 ttm180 -62.59 -33.98 76.08 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.128 0.489 . . . . 4.1 109.996 -175.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 29.0 ttmt -64.08 -41.5 97.29 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.612 -0.722 . . . . 2.82 110.435 177.689 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -72.35 -34.82 68.29 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.198 -0.456 . . . . 2.94 110.722 178.089 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.533 ' HG2' ' O ' ' A' ' 84' ' ' GLN . 23.0 mm-40 -57.38 -42.26 81.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.088 -0.505 . . . . 2.99 111.017 -178.273 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -65.47 -40.01 92.63 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.349 -0.387 . . . . 1.83 110.339 179.163 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 33.5 m-70 -60.94 -45.59 94.09 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 120.847 0.356 . . . . 0.66 110.285 176.133 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 21.4 m -64.48 -37.85 88.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.997 -0.547 . . . . 1.39 111.192 -178.687 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.402 ' O ' ' HG ' ' A' ' 96' ' ' LEU . 53.0 tp -70.02 -51.67 30.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.344 -0.389 . . . . 1.22 110.828 -178.415 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 99.2 mt -63.76 -33.4 75.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.258 -0.428 . . . . 1.34 111.071 -176.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.464 ' O ' ' HG3' ' A' ' 98' ' ' GLN . 18.5 t70 -68.97 -45.09 71.56 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.473 -0.331 . . . . 0.82 110.806 -178.155 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.417 ' O ' ' HG3' ' A' ' 99' ' ' GLN . 26.7 tptp -63.73 -40.78 97.58 Favored 'General case' 0 C--N 1.334 -0.089 0 CA-C-O 120.771 0.32 . . . . 2.77 110.468 179.66 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.402 ' HG ' ' O ' ' A' ' 92' ' ' LEU . 94.7 mt -59.47 -41.58 90.09 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.134 -0.485 . . . . 1.14 110.472 175.6 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 37.0 m -58.59 -40.57 83.56 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.425 -0.352 . . . . 1.16 110.786 174.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . 0.464 ' HG3' ' O ' ' A' ' 94' ' ' ASP . 74.6 mt-30 -62.25 -43.08 99.65 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.322 -0.399 . . . . 3.1 110.765 178.772 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.417 ' HG3' ' O ' ' A' ' 95' ' ' LYS . 78.1 mt-30 -61.84 -49.15 77.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.914 -0.584 . . . . 2.67 111.093 -178.764 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.444 ' HB3' ' SG ' ' A' ' 53' ' ' CYS . 76.7 mt -69.37 -47.9 62.87 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.897 -0.592 . . . . 1.16 111.06 -174.252 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 56.5 tp60 -62.39 -41.3 98.54 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.187 -0.46 . . . . 2.34 110.229 -178.305 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -63.79 -42.95 98.36 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.937 -0.649 . . . . 0.51 111.962 177.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.4 ' O ' HG13 ' A' ' 107' ' ' ILE . 61.3 tp -69.21 -44.83 71.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.542 0.21 . . . . 1.33 110.942 -179.515 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.644 ' HB1' ' SG ' ' A' ' 53' ' ' CYS . . . -55.66 -46.34 77.52 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.005 0.431 . . . . 1.11 111.323 -177.401 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 83.7 t -66.47 -38.04 80.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.787 -0.642 . . . . 1.27 110.984 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 38.5 m -64.33 -32.8 74.55 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.956 0.407 . . . . 1.27 111.113 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . 0.4 HG13 ' O ' ' A' ' 103' ' ' LEU . 76.0 mt -79.14 -42.71 23.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 116.415 -0.357 . . . . 1.31 111.215 -179.36 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 11.2 p -81.7 -27.54 33.9 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.381 -0.372 . . . . 1.81 111.872 -173.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 95.8 mtt180 -93.38 150.55 20.38 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.978 -0.289 . . . . 6.45 110.32 177.257 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 25.8 mm-40 63.35 32.62 14.52 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.478 -0.783 . . . . 6.0 110.147 -177.142 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 4.2 t30 -116.66 57.32 0.78 Allowed 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.667 -0.864 . . . . 7.13 108.667 179.029 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 27.2 mt -85.43 82.1 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 115.391 -0.822 . . . . 8.73 111.008 -173.655 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 11.4 p -97.6 -67.52 0.84 Allowed 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.754 -0.657 . . . . 9.67 109.68 173.078 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -122.5 10.29 9.77 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.698 -0.683 . . . . 11.2 109.412 172.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 17.6 t -85.74 81.65 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.267 -0.879 . . . . 12.46 110.057 -177.626 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 149.29 -142.64 10.0 Favored Glycine 0 N--CA 1.445 -0.752 0 CA-C-N 115.706 -0.679 . . . . 13.58 111.416 -178.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -147.76 117.17 4.26 Favored Pre-proline 0 C--N 1.322 -0.591 0 CA-C-O 120.681 0.277 . . . . 16.1 110.284 178.039 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_endo -84.5 28.82 0.56 Allowed 'Trans proline' 0 N--CA 1.461 -0.43 0 C-N-CA 122.754 2.303 . . . . 18.52 112.422 179.212 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 3.5 t . . . . . 0 C--O 1.248 1.001 0 CA-C-N 115.843 -0.617 . . . . 20.33 110.168 -179.624 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.781 0 N-CA-C 111.942 -0.463 . . . . 16.34 111.942 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 44.8 Cg_endo -69.11 -24.31 32.81 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.625 2.216 . . . . 16.69 112.694 -178.687 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 63.2 mtm -83.46 -61.43 1.84 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.122 0.487 . . . . 14.03 109.852 179.366 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -142.43 150.02 40.05 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.782 -0.644 . . . . 12.86 110.158 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 19.5 mmt -102.02 106.88 17.84 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.328 -0.396 . . . . 12.51 110.335 178.227 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -81.12 91.18 6.09 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.063 -0.517 . . . . 10.37 110.559 -179.171 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.62 107.63 5.21 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.93 -0.577 . . . . 8.94 110.871 179.215 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 39.5 ttm180 -151.91 102.25 2.81 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.267 -0.424 . . . . 9.92 110.678 -178.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 80.8 mtp180 -96.79 163.14 13.12 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.931 -0.577 . . . . 9.51 110.623 178.032 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 91.4 mt-30 53.92 42.97 31.51 Favored 'General case' 0 C--N 1.331 -0.235 0 O-C-N 123.799 0.687 . . . . 7.54 110.905 -177.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 54.5 ttp180 -75.05 93.24 2.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.767 -0.651 . . . . 7.69 109.784 179.071 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.8 t0 57.57 76.88 0.44 Allowed Pre-proline 0 N--CA 1.466 0.331 0 CA-C-N 115.356 -0.838 . . . . 2.19 110.312 -175.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_exo -61.16 -29.37 86.84 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.632 2.221 . . . . 1.75 111.977 -179.471 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 74.7 mt -62.47 -45.35 93.45 Favored 'General case' 0 C--O 1.223 -0.293 0 CA-C-N 116.113 -0.494 . . . . 1.38 110.448 179.561 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.52 ' O ' ' HG2' ' A' ' 19' ' ' ARG . 7.8 tt0 -60.13 -46.44 89.63 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.517 -0.31 . . . . 3.13 110.864 178.394 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.78 -45.97 87.35 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.895 0.379 . . . . 1.28 110.931 -178.776 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 28.2 tp -65.49 -36.37 83.66 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.043 -0.526 . . . . 1.67 110.458 177.403 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 49.0 ttp180 -61.08 -33.78 73.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.163 -0.471 . . . . 3.84 110.43 177.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.52 ' HG2' ' O ' ' A' ' 15' ' ' GLN . 27.8 mmm180 -63.7 -39.97 95.64 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.899 -0.408 . . . . 4.35 109.899 176.22 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 78.4 ttt180 -67.92 -41.12 83.12 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 115.696 -0.684 . . . . 4.64 110.561 177.164 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -65.99 -40.46 91.2 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 116.402 -0.363 . . . . 1.34 111.093 177.231 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 49.2 tt0 -62.18 -31.84 72.4 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 121.086 0.47 . . . . 3.26 110.464 178.693 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -66.44 -47.52 72.92 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.635 -0.711 . . . . 2.14 109.529 -179.555 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.476 ' O ' HG22 ' A' ' 28' ' ' VAL . 78.8 mt -66.67 -38.01 85.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.89 -0.595 . . . . 1.23 110.665 176.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -58.27 -44.85 88.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.416 -0.357 . . . . 2.44 110.406 179.496 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.431 ' HA ' ' OE1' ' A' ' 26' ' ' GLN . 6.8 tp60 -65.12 -34.23 77.91 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-O 121.139 0.495 . . . . 3.17 110.311 179.186 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -69.64 -33.52 72.73 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.935 -0.575 . . . . 1.91 110.406 178.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.476 HG22 ' O ' ' A' ' 24' ' ' LEU . 90.8 t -68.02 -45.52 83.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 N-CA-C 110.004 -0.369 . . . . 1.15 110.004 177.552 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -58.5 -36.64 74.11 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 121.074 0.464 . . . . 1.21 110.481 175.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 41.2 m -69.0 -39.08 79.55 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.837 -0.62 . . . . 1.9 110.855 179.589 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -63.67 -48.58 76.61 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 109.258 -0.645 . . . . 1.8 109.258 178.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 92.2 mt -60.39 -35.57 76.05 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.702 -0.681 . . . . 1.39 111.013 178.692 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 32.1 t -61.72 -41.92 98.26 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.285 -0.416 . . . . 1.9 110.439 179.412 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -76.34 -34.19 58.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.202 0.525 . . . . 1.86 110.226 -179.464 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 33.1 t -71.59 -11.13 60.7 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.556 -0.747 . . . . 1.94 110.877 179.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -97.22 -10.01 26.64 Favored 'General case' 0 N--CA 1.45 -0.468 0 N-CA-C 109.1 -0.704 . . . . 3.55 109.1 -175.446 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 85.0 mt -72.69 138.3 46.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.435 -0.802 . . . . 1.43 110.063 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 52.7 mttm -71.9 -29.84 64.75 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.636 -0.711 . . . . 4.11 109.962 179.65 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -69.36 -17.71 63.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.489 -0.778 . . . . 3.24 110.571 176.693 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -81.58 -0.1 40.71 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.15 -0.477 . . . . 1.64 111.636 -176.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 39.9 tp -75.43 -11.25 60.0 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.206 0.527 . . . . 3.2 109.822 174.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -58.95 116.77 16.83 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 115.424 -0.807 . . . . 3.43 109.751 173.549 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_exo -50.57 -30.67 28.9 Favored 'Trans proline' 0 C--N 1.352 0.718 0 C-N-CA 123.272 2.648 . . . . 2.0 113.597 -177.592 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 80.2 m-20 -69.57 -48.41 60.35 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.911 -0.316 . . . . 2.03 110.425 179.424 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.482 ' HZ2' ' HB2' ' A' ' 45' ' ' LYS . 0.0 OUTLIER -69.67 -39.45 77.02 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.071 0.463 . . . . 2.52 110.468 177.614 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 38.6 ttt180 -56.42 -39.04 72.4 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.289 -0.868 . . . . 4.27 110.658 178.32 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 26.4 tp60 -62.89 -41.12 99.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.791 -0.641 . . . . 3.02 110.391 176.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 10.5 t60 -70.12 -37.31 75.29 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.643 -0.708 . . . . 1.15 110.186 -178.624 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 65.8 mt -65.22 -44.59 95.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.302 -0.408 . . . . 1.37 110.626 178.616 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 44.9 t80 -53.91 -40.39 66.64 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.324 -0.398 . . . . 0.97 110.954 175.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.417 ' O ' ' HG2' ' A' ' 55' ' ' GLN . 59.8 tp60 -65.39 -46.39 80.25 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.821 0.343 . . . . 1.98 110.551 179.741 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.488 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 98.9 mtt180 -62.58 -34.97 78.06 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.223 -0.444 . . . . 4.54 111.063 178.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 42.0 t -63.61 -44.65 93.36 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.634 -0.506 . . . . 1.09 109.634 179.047 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 72.2 mt -60.16 -44.33 95.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 115.856 -0.611 . . . . 1.17 111.077 176.412 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.417 ' HG2' ' O ' ' A' ' 51' ' ' GLN . 15.8 mm100 -61.05 -49.9 75.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.436 -0.347 . . . . 3.22 111.117 -178.112 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.488 ' HG ' ' O ' ' A' ' 52' ' ' ARG . 68.8 mt -62.04 -37.94 86.84 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.28 -0.418 . . . . 1.07 111.373 177.893 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 27.9 ttpp -64.17 -40.19 95.61 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.033 0.444 . . . . 2.42 109.964 -179.498 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 57.5 mt-30 -66.74 -35.11 79.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.97 -0.559 . . . . 2.95 110.93 174.599 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -68.89 -41.96 77.58 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.387 -0.369 . . . . 1.07 111.34 -179.259 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 73.4 mt -66.98 -40.95 86.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 121.181 0.515 . . . . 1.16 109.98 177.354 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -59.9 -37.65 80.01 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.509 -0.769 . . . . 0.64 110.04 176.292 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -61.13 -47.51 85.9 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.496 -0.774 . . . . 2.28 110.454 177.385 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -63.47 -42.44 98.6 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.426 -0.352 . . . . 1.6 110.532 177.337 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 22.2 ttmm -57.66 -47.01 83.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 2.04 110.91 179.089 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 34.5 m-80 -69.47 -36.32 76.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 1.94 111.302 -178.438 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -67.77 -41.94 82.49 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.003 0.43 . . . . 1.16 110.357 177.276 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 61.1 tp -62.95 -46.38 88.03 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.761 -0.654 . . . . 1.26 111.163 179.277 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -65.93 -28.99 69.34 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.905 0.383 . . . . 2.3 111.123 -178.056 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 47.3 tttp -90.05 -10.78 43.54 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.216 -0.447 . . . . 3.1 110.663 -178.747 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 69.9 tp -67.77 -61.6 1.8 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.291 -0.413 . . . . 2.65 110.962 178.752 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 57.5 m -150.34 149.6 30.31 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.551 -0.295 . . . . 3.15 110.467 -179.108 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 51.8 mttp -88.95 108.06 19.36 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.676 -0.49 . . . . 6.43 109.676 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -71.38 -4.85 28.48 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.158 -0.474 . . . . 5.15 112.259 -175.458 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -93.28 -5.7 49.19 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.784 0.326 . . . . 6.87 110.654 177.489 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -125.41 56.28 1.37 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.645 0.736 . . . . 6.68 109.705 -179.063 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 24.9 m -156.37 36.99 0.33 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.704 -0.68 . . . . 5.08 110.671 -177.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.441 ' HB1' ' HD3' ' A' ' 78' ' ' PRO . . . -52.22 -48.89 87.63 Favored Pre-proline 0 CA--C 1.54 0.559 0 N-CA-C 113.459 0.911 . . . . 5.04 113.459 -176.387 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.441 ' HD3' ' HB1' ' A' ' 77' ' ' ALA . 76.5 Cg_exo -52.7 -38.01 76.22 Favored 'Trans proline' 0 C--N 1.358 1.063 0 C-N-CA 122.214 1.942 . . . . 4.46 113.066 178.585 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 16.5 m -101.78 51.91 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 121.618 0.723 . . . . 3.99 110.797 -177.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.534 ' O ' ' HG2' ' A' ' 84' ' ' GLN . . . -56.52 -39.09 72.75 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.152 -0.931 . . . . 2.78 112.036 -178.486 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -60.42 -35.68 76.38 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 120.708 0.289 . . . . 3.44 111.275 179.757 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 41.1 t80 -66.81 -38.29 86.18 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.504 -0.554 . . . . 1.82 109.504 176.421 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 78.4 m-20 -69.71 -27.53 65.06 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.832 -0.622 . . . . 2.11 110.997 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . 0.534 ' HG2' ' O ' ' A' ' 80' ' ' ALA . 13.9 mm100 -68.84 -40.72 79.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.318 -0.401 . . . . 4.28 111.671 -178.087 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 47.2 mtm180 -74.71 -31.38 61.85 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-O 121.29 0.567 . . . . 4.1 109.682 176.114 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.431 ' HA ' ' OE1' ' A' ' 89' ' ' GLU . 17.4 ttmm -65.08 -33.87 77.07 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.323 -0.853 . . . . 2.82 110.234 175.211 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -60.38 -39.71 88.24 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.602 -0.726 . . . . 2.94 109.91 176.266 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 34.2 mm-40 -61.45 -32.17 72.15 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 115.967 -0.561 . . . . 2.99 111.199 178.36 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.431 ' OE1' ' HA ' ' A' ' 86' ' ' LYS . 31.1 mt-10 -61.62 -46.38 90.08 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 109.525 -0.546 . . . . 1.83 109.525 178.341 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 40.2 m-70 -66.71 -44.26 82.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.597 -0.729 . . . . 0.66 110.656 179.451 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 26.0 m -59.08 -44.64 91.9 Favored 'General case' 0 C--N 1.328 -0.334 0 O-C-N 123.402 0.439 . . . . 1.39 111.203 179.532 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.483 ' O ' ' HG ' ' A' ' 96' ' ' LEU . 56.0 tp -68.34 -50.6 52.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 1.22 110.994 -176.146 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 94.8 mt -67.96 -32.26 72.56 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.197 -0.456 . . . . 1.34 111.32 -176.38 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -64.4 -47.25 79.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.674 -0.239 . . . . 0.82 111.538 -175.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.478 ' HB3' ' HZ1' ' A' ' 95' ' ' LYS . 7.9 ttpm? -71.52 -34.96 70.53 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 121.186 -0.206 . . . . 2.77 110.906 -178.615 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.483 ' HG ' ' O ' ' A' ' 92' ' ' LEU . 98.3 mt -59.14 -45.3 91.31 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 110.185 -0.302 . . . . 1.14 110.185 173.695 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 25.0 m -60.13 -45.66 92.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.312 -0.404 . . . . 1.16 110.992 176.068 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 44.1 tt0 -60.62 -44.89 95.8 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-O 120.929 0.395 . . . . 3.1 111.155 179.511 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.522 HE21 ' HA ' ' A' ' 99' ' ' GLN . 0.0 OUTLIER -59.26 -47.67 84.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.797 -0.638 . . . . 2.67 111.211 -178.268 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 74.2 mt -73.72 -44.39 56.51 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.29 -0.414 . . . . 1.16 111.593 -176.552 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 24.9 tm0? -61.27 -44.35 97.38 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 110.13 -0.322 . . . . 2.34 110.13 -177.563 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -65.71 -42.9 95.06 Favored Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 120.581 -0.818 . . . . 0.51 111.966 178.115 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.453 ' O ' HG13 ' A' ' 107' ' ' ILE . 49.8 tp -65.97 -43.69 87.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.491 0.186 . . . . 1.33 110.923 -178.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -56.22 -44.74 79.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.31 -0.404 . . . . 1.11 111.354 -178.126 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 93.8 t -67.9 -38.68 80.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 121.026 0.441 . . . . 1.27 110.497 178.34 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 86.9 m -64.23 -35.71 81.7 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.937 -0.574 . . . . 1.27 111.042 178.632 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . 0.453 HG13 ' O ' ' A' ' 103' ' ' LEU . 84.0 mt -75.46 -42.33 42.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 1.31 111.22 179.823 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 12.7 p -78.58 -14.19 59.45 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.867 0.365 . . . . 1.81 111.432 -174.61 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 88.5 mtt180 -133.06 94.74 3.41 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.099 0.476 . . . . 6.45 110.0 179.645 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -67.3 -32.3 73.19 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.65 -0.705 . . . . 6.0 111.841 -175.448 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 17.1 m120 -122.53 62.17 0.98 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.857 0.36 . . . . 7.13 111.241 -174.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 87.6 mt -63.68 105.09 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.04 -0.527 . . . . 8.73 110.327 177.204 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 19.7 m -94.44 -24.41 17.34 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.097 -0.501 . . . . 9.67 110.647 -177.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 68.09 -75.84 0.06 Allowed 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 115.695 -0.684 . . . . 11.2 111.071 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 21.8 t -91.53 102.28 13.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 120.785 0.326 . . . . 12.46 110.474 -178.405 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 162.08 -105.44 0.26 Allowed Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 121.066 -0.588 . . . . 13.58 111.684 179.427 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -121.94 82.26 43.06 Favored Pre-proline 0 C--N 1.325 -0.499 0 CA-C-O 120.861 0.362 . . . . 16.1 110.55 178.066 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 67.3 Cg_endo -88.77 4.51 5.41 Favored 'Trans proline' 0 N--CA 1.458 -0.569 0 C-N-CA 122.583 2.189 . . . . 18.52 112.347 178.121 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 35.6 p . . . . . 0 C--O 1.246 0.887 0 C-N-CA 123.839 0.855 . . . . 20.33 111.847 -178.565 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.713 0 N-CA-C 111.815 -0.514 . . . . 16.34 111.815 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -67.29 120.53 7.59 Favored 'Trans proline' 0 N--CA 1.464 -0.246 0 C-N-CA 122.6 2.2 . . . . 16.69 112.019 178.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 66.8 mtt -97.23 7.43 46.6 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.268 -0.424 . . . . 14.03 110.93 -178.28 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -108.01 39.01 2.04 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.132 0.491 . . . . 12.86 110.769 178.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 97.3 mmm -97.29 39.57 1.19 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.109 0.481 . . . . 12.51 110.967 -178.075 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.447 HD23 ' H ' ' A' ' 6' ' ' LEU . 2.6 pt? -85.52 16.87 3.52 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.935 -0.575 . . . . 10.37 110.608 179.559 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -82.92 -8.88 59.53 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.906 -0.588 . . . . 8.94 111.364 -178.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 76.3 ttt180 -78.42 80.81 4.8 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.387 0.613 . . . . 9.92 110.106 -179.09 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 35.0 mmt180 -101.58 -8.75 21.58 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.629 -0.714 . . . . 9.51 110.737 -178.239 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 68.9 mm-40 -77.49 63.12 2.58 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.127 0.489 . . . . 7.54 111.033 177.393 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 26.0 mtm180 -80.88 119.62 23.67 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.584 -0.895 . . . . 7.69 108.584 173.755 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 30.3 t70 59.5 76.27 0.45 Allowed Pre-proline 0 C--N 1.327 -0.387 0 O-C-N 123.709 0.631 . . . . 2.19 109.474 -170.305 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -55.02 -27.63 55.8 Favored 'Trans proline' 0 C--N 1.349 0.564 0 C-N-CA 123.234 2.623 . . . . 1.75 112.079 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 79.6 mt -56.52 -42.26 78.11 Favored 'General case' 0 C--O 1.218 -0.582 0 CA-C-N 115.917 -0.583 . . . . 1.38 111.175 -179.733 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 6.6 tp60 -59.74 -48.62 80.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.626 0.251 . . . . 3.13 111.251 -179.65 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.96 -45.61 73.7 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.002 0.429 . . . . 1.28 110.959 -178.454 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 30.5 tp -66.35 -36.94 84.18 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.991 -0.549 . . . . 1.67 110.935 179.515 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.486 ' O ' ' HG3' ' A' ' 22' ' ' GLN . 42.6 ttp180 -59.8 -42.8 94.23 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.545 -0.298 . . . . 3.84 110.526 176.636 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 73.0 ttt180 -58.85 -40.28 83.8 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.155 0.502 . . . . 4.35 109.721 178.005 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -66.21 -42.21 89.06 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.507 -0.77 . . . . 4.64 110.543 176.315 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -61.0 -42.25 98.09 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-O 120.868 0.366 . . . . 1.34 110.679 176.422 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.486 ' HG3' ' O ' ' A' ' 18' ' ' ARG . 97.6 mt-30 -62.29 -31.42 72.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.083 -0.508 . . . . 3.26 110.572 178.506 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -70.21 -43.18 71.2 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.017 -0.538 . . . . 2.14 109.695 178.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 87.3 mt -66.06 -37.28 85.42 Favored 'General case' 0 CA--C 1.52 -0.203 0 CA-C-N 115.921 -0.581 . . . . 1.23 110.444 175.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.412 ' HG2' ' OD2' ' A' ' 29' ' ' ASP . 60.6 tttm -59.36 -40.69 87.25 Favored 'General case' 0 C--O 1.225 -0.215 0 CA-C-N 116.536 -0.302 . . . . 2.44 110.396 177.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.443 ' HG2' ' O ' ' A' ' 22' ' ' GLN . 18.3 mm-40 -60.25 -35.2 74.95 Favored 'General case' 0 C--O 1.231 0.126 0 CA-C-O 121.19 0.519 . . . . 3.17 110.493 177.6 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -71.54 -37.67 71.12 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.857 -0.611 . . . . 1.91 110.044 179.626 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 97.9 t -69.69 -48.74 63.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.85 -0.614 . . . . 1.15 110.382 -179.688 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.412 ' OD2' ' HG2' ' A' ' 25' ' ' LYS . 31.9 m-20 -58.46 -37.13 74.84 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.07 -0.514 . . . . 1.21 110.827 -179.542 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 23.0 t -66.11 -42.21 89.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.395 -0.366 . . . . 1.9 110.275 177.627 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 57.2 tp -66.8 -40.49 88.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.792 0.33 . . . . 1.8 110.509 -176.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 89.1 mt -68.27 -44.19 76.11 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.318 -0.401 . . . . 1.39 110.737 -177.272 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 12.5 p -67.21 -31.5 71.93 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.133 -0.485 . . . . 1.9 111.246 -179.24 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -75.44 -29.89 59.82 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 121.326 0.584 . . . . 1.86 109.737 178.434 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 51.8 m -73.66 -10.49 59.75 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.575 -0.739 . . . . 1.94 111.386 178.358 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 99.0 mt-30 -104.04 7.26 36.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.207 0.527 . . . . 3.55 110.07 -175.484 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 78.4 mt -77.85 147.62 35.07 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.456 -0.793 . . . . 1.43 109.831 177.719 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 61.9 tttm -67.71 -30.92 70.54 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.027 0.442 . . . . 4.11 110.149 178.266 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -71.59 -18.59 62.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.212 -0.449 . . . . 3.24 110.56 177.13 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -82.21 -0.42 45.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.056 -0.52 . . . . 1.64 110.955 -178.163 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 56.0 tp -69.39 -15.45 63.31 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.315 0.579 . . . . 3.2 109.659 174.528 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 -66.15 115.65 25.55 Favored Pre-proline 0 C--N 1.327 -0.398 0 CA-C-N 115.074 -0.966 . . . . 3.43 110.18 176.638 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.471 ' O ' ' HG3' ' A' ' 47' ' ' GLN . 11.1 Cg_endo -54.79 -30.93 69.93 Favored 'Trans proline' 0 C--N 1.35 0.656 0 C-N-CA 123.096 2.53 . . . . 2.0 112.853 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -64.14 -43.2 95.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.658 0.266 . . . . 2.03 110.592 179.009 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 4.5 tppp? -72.08 -33.65 68.06 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.952 0.406 . . . . 2.52 110.377 176.69 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 41.9 ttm180 -57.8 -36.22 71.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.795 -0.639 . . . . 4.27 110.898 178.578 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.471 ' HG3' ' O ' ' A' ' 43' ' ' PRO . 69.5 mt-30 -61.56 -40.09 93.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.934 -0.575 . . . . 3.02 110.703 177.097 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 21.0 t60 -64.94 -34.97 79.68 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.632 -0.713 . . . . 1.15 109.851 179.679 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 85.3 mt -67.56 -47.16 81.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.782 -0.645 . . . . 1.37 110.976 -179.588 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 48.3 t80 -54.36 -40.82 68.48 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.417 -0.356 . . . . 0.97 111.431 178.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.458 ' O ' ' HG3' ' A' ' 55' ' ' GLN . 54.8 tp60 -62.5 -46.11 89.92 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.392 -0.367 . . . . 1.98 110.67 179.595 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.427 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 23.8 mmt180 -67.46 -31.63 71.92 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.291 -0.413 . . . . 4.54 110.87 -178.619 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 42.5 t -62.69 -44.48 96.13 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.051 -0.522 . . . . 1.09 109.97 178.549 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 66.5 mt -58.53 -45.64 90.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.863 -0.608 . . . . 1.17 111.106 177.26 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.458 ' HG3' ' O ' ' A' ' 51' ' ' GLN . 20.1 mt-30 -61.9 -50.33 72.63 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.109 -0.496 . . . . 3.22 111.045 -177.687 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.427 ' HG ' ' O ' ' A' ' 52' ' ' ARG . 72.9 mt -61.26 -36.94 81.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 1.07 111.544 178.386 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 21.4 ttmm -57.74 -45.8 85.33 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 109.843 -0.429 . . . . 2.42 109.843 176.315 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 24.0 mt-30 -60.24 -42.39 95.15 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.673 -0.694 . . . . 2.95 110.886 177.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.63 -43.72 88.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.446 . . . . 1.07 111.442 -178.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 81.9 mt -66.7 -43.12 90.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.529 -0.305 . . . . 1.16 110.518 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -59.75 -41.37 90.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.223 0.535 . . . . 0.64 110.198 177.405 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -62.52 -47.37 84.21 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.285 -0.871 . . . . 2.28 110.847 179.612 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -67.02 -39.75 87.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.481 -0.327 . . . . 1.6 110.994 178.465 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 64.5 tttp -57.0 -45.89 82.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.926 0.393 . . . . 2.04 110.489 175.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -66.86 -39.35 87.52 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.879 -0.601 . . . . 1.94 110.883 179.154 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -65.46 -39.9 92.57 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.1 -0.5 . . . . 1.16 110.466 178.177 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 60.3 tp -66.86 -44.7 80.29 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.566 -0.743 . . . . 1.26 110.989 179.646 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -59.8 -29.13 68.02 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.123 0.487 . . . . 2.3 111.069 178.017 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 64.1 tttm -75.55 -14.81 60.42 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.804 -0.634 . . . . 3.1 110.535 -178.737 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 70.7 mt -103.71 51.9 0.78 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.986 -0.552 . . . . 2.65 110.434 179.223 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 10.6 t -104.66 155.47 18.83 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 121.083 -0.247 . . . . 3.15 111.055 -175.67 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 66.1 mttm 56.09 30.73 16.85 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 115.83 -0.623 . . . . 6.43 111.177 -179.753 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -80.13 -24.03 40.75 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.0 -0.546 . . . . 5.15 111.947 -175.645 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.451 ' HB2' ' CG ' ' A' ' 82' ' ' TYR . 36.0 t70 -83.66 -24.23 31.44 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.982 0.42 . . . . 6.87 110.559 -178.328 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 66.55 175.91 0.24 Allowed 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 115.258 -0.883 . . . . 6.68 111.685 176.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.402 ' OG ' ' HD2' ' A' ' 78' ' ' PRO . 12.6 t 66.45 -173.86 0.19 Allowed 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 115.767 -0.652 . . . . 5.08 111.416 177.194 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.437 ' N ' ' HD2' ' A' ' 78' ' ' PRO . . . -88.95 -50.03 0.4 Allowed Pre-proline 0 CA--C 1.538 0.498 0 N-CA-C 112.627 0.603 . . . . 5.04 112.627 -179.724 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.437 ' HD2' ' N ' ' A' ' 77' ' ' ALA . 53.8 Cg_endo -68.51 80.03 0.61 Allowed 'Trans proline' 0 C--N 1.361 1.211 0 C-N-CA 122.278 1.986 . . . . 4.46 112.622 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 16.2 m -109.78 24.17 3.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 115.625 -0.716 . . . . 3.99 111.103 -179.613 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -54.87 -49.21 71.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.891 -0.595 . . . . 2.78 112.138 -174.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 31.8 m-80 -68.63 -50.24 52.9 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.977 -0.556 . . . . 3.44 111.81 -176.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.451 ' CG ' ' HB2' ' A' ' 74' ' ' ASP . 32.7 t80 -67.55 -42.61 82.37 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.359 -0.382 . . . . 1.82 110.593 -174.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -71.69 -27.49 63.07 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.833 -0.347 . . . . 2.11 111.182 -178.582 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -65.08 -47.85 75.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.745 0.307 . . . . 4.28 110.694 177.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.409 ' O ' ' HG2' ' A' ' 89' ' ' GLU . 43.6 ttm180 -64.06 -40.36 96.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.171 0.51 . . . . 4.1 109.815 178.46 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 19.8 ttmm -62.52 -42.46 99.53 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.632 -0.713 . . . . 2.82 110.571 177.32 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -67.02 -38.16 85.44 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.392 -0.822 . . . . 2.94 110.791 179.498 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -65.05 -39.05 92.74 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.156 -0.474 . . . . 2.99 110.546 -179.476 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.417 ' O ' HD12 ' A' ' 93' ' ' LEU . 27.7 mm-40 -61.58 -44.74 96.45 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 110.047 -0.353 . . . . 1.83 110.047 175.101 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 7.4 m-70 -58.57 -42.58 88.3 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.339 -0.391 . . . . 0.66 110.436 176.422 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 33.4 m -62.93 -42.35 99.78 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.854 -0.612 . . . . 1.39 111.122 -179.565 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.516 ' O ' ' HG ' ' A' ' 96' ' ' LEU . 27.3 tp -70.73 -51.95 24.02 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.297 -0.411 . . . . 1.22 111.143 -178.47 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.417 HD12 ' O ' ' A' ' 89' ' ' GLU . 10.9 mp -61.82 -32.98 73.33 Favored 'General case' 0 CA--C 1.519 -0.215 0 CA-C-N 116.424 -0.353 . . . . 1.34 110.904 -177.584 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -63.89 -46.49 84.65 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.491 -0.322 . . . . 0.82 110.209 176.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.401 ' O ' ' HG3' ' A' ' 99' ' ' GLN . 54.8 tttp -61.35 -44.15 97.66 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.503 -0.317 . . . . 2.77 111.439 175.421 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.516 ' HG ' ' O ' ' A' ' 92' ' ' LEU . 84.4 mt -58.87 -44.87 91.16 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.308 -0.406 . . . . 1.14 110.135 178.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 28.8 m -58.37 -43.19 88.33 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.947 -0.57 . . . . 1.16 110.729 174.739 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -62.35 -46.76 87.21 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.736 0.303 . . . . 3.1 111.3 -179.268 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.401 ' HG3' ' O ' ' A' ' 95' ' ' LYS . 47.0 mt-30 -60.61 -39.78 89.44 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.995 -0.548 . . . . 2.67 110.984 -177.57 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 96.4 mt -74.35 -41.83 60.4 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.227 -0.442 . . . . 1.16 110.979 178.238 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 23.8 tm0? -62.99 -44.33 96.34 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.828 -0.624 . . . . 2.34 110.432 -178.392 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -62.07 -41.1 99.67 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.728 -0.749 . . . . 0.51 111.593 176.317 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 66.8 tp -63.38 -45.93 88.85 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.704 0.288 . . . . 1.33 110.937 178.685 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.88 -46.7 89.56 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.186 -0.461 . . . . 1.11 111.35 -177.292 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 71.0 t -62.03 -38.33 80.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 120.897 0.379 . . . . 1.27 110.79 179.018 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 92.4 m -61.54 -33.09 73.24 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.826 -0.625 . . . . 1.27 110.945 177.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 91.5 mt -79.27 -39.64 21.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.209 -0.451 . . . . 1.31 111.176 178.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 21.6 m -71.77 -17.74 62.16 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.122 0.487 . . . . 1.81 110.602 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 56.0 ttp180 -131.23 83.15 2.08 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 115.924 -0.58 . . . . 6.45 109.578 178.216 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -76.73 86.45 3.35 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.731 -0.668 . . . . 6.0 110.548 -177.68 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 94.3 m-20 -75.04 82.48 2.25 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.02 -0.536 . . . . 7.13 111.124 -178.704 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 27.8 mt -85.42 66.95 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 N-CA-C 108.92 -0.77 . . . . 8.73 108.92 175.588 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 37.5 p -87.6 137.94 31.9 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.48 -0.782 . . . . 9.67 111.521 -172.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -160.03 137.96 9.98 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.973 -0.558 . . . . 11.2 110.293 177.491 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 15.5 m -96.42 48.13 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-O 121.489 0.662 . . . . 12.46 110.552 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 86.67 -172.54 44.58 Favored Glycine 0 N--CA 1.446 -0.653 0 CA-C-N 115.342 -0.844 . . . . 13.58 111.715 -177.281 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -139.0 79.47 26.79 Favored Pre-proline 0 C--N 1.321 -0.652 0 N-CA-C 110.277 -0.268 . . . . 16.1 110.277 179.185 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 90.8 Cg_endo -80.35 52.04 4.16 Favored 'Trans proline' 0 N--CA 1.462 -0.33 0 C-N-CA 122.596 2.197 . . . . 18.52 112.279 -179.009 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 1.4 t . . . . . 0 C--O 1.25 1.103 0 CA-C-N 116.026 -0.534 . . . . 20.33 110.551 -178.549 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.784 0 N-CA-C 111.541 -0.624 . . . . 16.34 111.541 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -58.29 119.29 6.46 Favored 'Trans proline' 0 C--O 1.234 0.308 0 C-N-CA 122.627 2.218 . . . . 16.69 111.77 178.615 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' MET . . . . . 0.426 ' HA ' ' HB3' ' A' ' 6' ' ' LEU . 72.7 mtm -88.93 67.5 8.2 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.191 -0.459 . . . . 14.03 111.562 -176.573 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -76.58 -53.27 8.27 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.241 0.543 . . . . 12.86 109.542 175.514 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 25.1 ptm -125.94 -1.26 7.2 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.572 -0.74 . . . . 12.51 109.8 175.682 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.426 ' HB3' ' HA ' ' A' ' 3' ' ' MET . 54.0 tp -74.94 109.31 8.29 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.326 -0.852 . . . . 10.37 109.933 179.21 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -88.85 92.5 9.24 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.071 0.462 . . . . 8.94 111.296 -176.6 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 -130.87 46.75 2.62 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.333 0.587 . . . . 9.92 110.482 177.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 89.2 mtm180 -101.18 159.63 15.08 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.57 -0.741 . . . . 9.51 109.419 174.051 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 18.1 tp60 56.04 54.71 7.63 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.309 0.576 . . . . 7.54 109.779 -177.162 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.438 ' C ' ' HD3' ' A' ' 13' ' ' PRO . 77.2 mtm180 -80.07 74.99 6.83 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.699 -0.682 . . . . 7.69 110.522 -177.337 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -126.62 62.0 47.06 Favored Pre-proline 0 C--N 1.323 -0.567 0 CA-C-N 115.554 -0.748 . . . . 2.19 110.996 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.438 ' HD3' ' C ' ' A' ' 11' ' ' ARG . 32.0 Cg_exo -62.07 -28.78 80.47 Favored 'Trans proline' 0 C--N 1.35 0.631 0 C-N-CA 122.302 2.002 . . . . 1.75 111.505 -179.788 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 54.1 mt -57.14 -39.16 74.66 Favored 'General case' 0 C--O 1.221 -0.421 0 CA-C-N 115.534 -0.757 . . . . 1.38 111.228 -179.769 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -67.17 -48.54 67.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.77 0.319 . . . . 3.13 110.603 -177.726 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.1 -44.75 95.98 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.112 -0.494 . . . . 1.28 110.957 178.195 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 23.4 tp -67.19 -40.09 86.46 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.846 -0.615 . . . . 1.67 111.131 179.244 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.458 ' O ' ' HG3' ' A' ' 22' ' ' GLN . 35.3 ttm180 -60.2 -39.67 87.36 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 110.19 -0.3 . . . . 3.84 110.19 174.761 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 48.3 ttp180 -59.13 -43.19 91.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.137 -0.483 . . . . 4.35 110.061 175.743 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 89.2 mtt180 -61.0 -43.44 98.89 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 115.788 -0.642 . . . . 4.64 110.618 174.436 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -64.56 -34.6 78.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.492 -0.322 . . . . 1.34 111.316 178.739 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.458 ' HG3' ' O ' ' A' ' 18' ' ' ARG . 96.0 mt-30 -64.57 -31.5 72.75 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-O 120.924 0.392 . . . . 3.26 110.423 176.662 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.493 ' O ' ' HG3' ' A' ' 27' ' ' GLN . 39.0 tt0 -67.26 -45.71 75.86 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.535 -0.757 . . . . 2.14 109.183 177.648 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.483 ' O ' HG21 ' A' ' 28' ' ' VAL . 73.2 mt -65.52 -36.25 83.27 Favored 'General case' 0 C--O 1.224 -0.265 0 CA-C-N 115.704 -0.68 . . . . 1.23 110.772 175.382 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 37.5 ttmt -57.8 -41.67 82.63 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.97 -0.381 . . . . 2.44 109.97 178.606 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 52.4 tp60 -68.44 -34.12 75.42 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.229 -0.441 . . . . 3.17 110.442 178.26 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.493 ' HG3' ' O ' ' A' ' 23' ' ' GLU . 27.1 mt-30 -67.76 -34.68 77.29 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.656 -0.498 . . . . 1.91 109.656 178.231 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.483 HG21 ' O ' ' A' ' 24' ' ' LEU . 82.1 t -68.47 -48.7 71.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.889 -0.596 . . . . 1.15 110.006 177.393 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -59.63 -34.98 73.49 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.139 -0.482 . . . . 1.21 110.788 177.457 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 41.6 t -65.17 -44.66 87.78 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.199 -0.455 . . . . 1.9 110.57 177.463 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 52.0 tp -64.75 -48.31 75.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.42 -0.354 . . . . 1.8 110.335 -179.398 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 86.8 mt -60.45 -33.8 73.07 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.102 -0.499 . . . . 1.39 111.093 178.265 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 33.0 t -63.44 -42.55 98.68 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.065 -0.516 . . . . 1.9 110.181 178.443 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -75.56 -32.21 60.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.155 0.503 . . . . 1.86 109.998 -179.571 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 21.5 m -73.43 -10.59 59.89 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.616 -0.72 . . . . 1.94 111.301 179.763 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 9.9 tt0 -100.4 -10.36 21.25 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.472 0.653 . . . . 3.55 109.473 -174.435 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 87.7 mt -66.82 136.54 55.59 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.332 -0.849 . . . . 1.43 110.176 -178.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 7.8 ptpp? -63.57 -29.64 70.87 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.199 -0.455 . . . . 4.11 109.959 177.092 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 44.3 mm-40 -73.07 -17.23 61.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.517 -0.765 . . . . 3.24 111.073 177.465 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -86.69 -0.21 55.84 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.326 -0.397 . . . . 1.64 111.467 -177.61 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 49.0 tp -72.51 -9.09 58.13 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.345 0.593 . . . . 3.2 110.253 176.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 22.3 mm-40 -73.63 129.86 84.68 Favored Pre-proline 0 C--N 1.323 -0.563 0 CA-C-N 115.813 -0.63 . . . . 3.43 110.499 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_exo -46.3 -43.66 21.13 Favored 'Trans proline' 0 C--N 1.348 0.538 0 C-N-CA 123.05 2.5 . . . . 2.0 114.184 -171.413 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 84.1 m-20 -59.69 -43.26 94.13 Favored 'General case' 0 N--CA 1.464 0.235 0 N-CA-C 111.491 0.182 . . . . 2.03 111.491 -176.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.409 ' O ' HG13 ' A' ' 49' ' ' ILE . 16.9 tppt? -64.6 -42.81 95.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.761 -0.2 . . . . 2.52 110.701 179.353 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 13.8 mmt180 -57.12 -43.83 82.74 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.379 -0.373 . . . . 4.27 110.832 179.603 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 68.3 mt-30 -61.44 -39.28 90.27 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.83 -0.623 . . . . 3.02 110.765 179.211 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 16.6 t60 -69.48 -34.87 74.98 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.994 -0.548 . . . . 1.15 110.152 -179.233 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.409 HG13 ' O ' ' A' ' 45' ' ' LYS . 85.5 mt -65.96 -42.28 91.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.927 -0.578 . . . . 1.37 110.961 178.855 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 72.3 t80 -54.01 -41.02 67.51 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 116.34 -0.391 . . . . 0.97 111.355 178.592 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.549 ' O ' ' HG2' ' A' ' 55' ' ' GLN . 51.7 tp60 -67.06 -42.3 85.0 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.403 -0.362 . . . . 1.98 110.305 -179.474 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -66.53 -31.75 72.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.485 . . . . 4.54 111.307 179.042 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 0.438 ' SG ' ' HB3' ' A' ' 104' ' ' ALA . 45.7 t -67.29 -42.31 83.95 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.708 -0.478 . . . . 1.09 109.708 -178.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 60.8 mt -58.88 -39.96 78.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.826 -0.625 . . . . 1.17 110.876 176.263 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.549 ' HG2' ' O ' ' A' ' 51' ' ' GLN . 77.0 mm-40 -65.18 -50.84 64.4 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.08 -0.509 . . . . 3.22 111.165 -178.154 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.402 ' O ' HG13 ' A' ' 60' ' ' ILE . 65.6 mt -61.28 -38.25 86.11 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.464 -0.335 . . . . 1.07 111.675 178.667 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 64.0 tttm -62.43 -41.42 98.71 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.839 0.352 . . . . 2.42 110.213 179.761 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 47.3 tt0 -63.88 -38.41 90.98 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.927 -0.579 . . . . 2.95 110.442 176.705 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -66.3 -45.31 80.82 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.967 -0.56 . . . . 1.07 111.56 -179.285 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.402 HG13 ' O ' ' A' ' 56' ' ' LEU . 73.1 mt -64.67 -41.97 93.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 121.04 0.448 . . . . 1.16 110.016 179.562 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -59.84 -36.86 77.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.612 -0.722 . . . . 0.64 110.404 177.326 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 19.5 tp10 -61.36 -47.19 86.98 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.367 -0.833 . . . . 2.28 110.712 179.021 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -72.21 -33.68 67.78 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.738 -0.385 . . . . 1.6 110.983 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 59.9 tttp -56.79 -45.87 81.91 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 120.988 0.423 . . . . 2.04 110.073 173.18 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 -64.27 -37.54 87.86 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.739 -0.664 . . . . 1.94 110.89 179.012 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.431 ' O ' ' HG ' ' A' ' 70' ' ' LEU . . . -66.71 -45.88 77.35 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.027 -0.533 . . . . 1.16 110.115 177.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 53.3 tp -61.09 -42.8 99.18 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.497 -0.774 . . . . 1.26 111.025 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 51.0 tp60 -63.26 -31.18 72.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.112 -0.494 . . . . 2.3 111.451 178.348 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 26.2 tptp -80.83 -28.78 36.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.885 0.374 . . . . 3.1 110.674 -178.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.431 ' HG ' ' O ' ' A' ' 66' ' ' ALA . 91.4 mt -80.89 72.0 7.87 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.175 0.512 . . . . 2.65 110.339 178.743 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 23.4 m -98.9 149.22 23.16 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.772 -0.649 . . . . 3.15 110.397 -178.149 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 22.3 tttm -147.07 10.69 1.02 Allowed 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.838 -0.345 . . . . 6.43 110.954 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -79.67 -28.2 40.76 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.497 0.555 . . . . 5.15 112.497 -174.428 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -85.22 -25.14 27.52 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.741 -0.383 . . . . 6.87 110.914 -177.255 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -93.63 -7.96 42.42 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.219 -0.446 . . . . 6.68 111.115 -179.718 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 8.8 t -155.09 117.63 4.27 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.262 -0.426 . . . . 5.08 110.0 -177.654 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -84.77 -52.38 0.51 Allowed Pre-proline 0 C--N 1.322 -0.594 0 N-CA-C 112.357 0.502 . . . . 5.04 112.357 -179.273 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 90.8 Cg_endo -76.39 63.17 7.11 Favored 'Trans proline' 0 C--N 1.357 0.995 0 C-N-CA 122.036 1.824 . . . . 4.46 113.054 -179.352 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 10.5 m -136.62 47.86 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 121.178 0.513 . . . . 3.99 110.782 176.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.72 -33.38 71.56 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.869 -0.605 . . . . 2.78 111.384 -178.629 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.43 ' O ' ' HG3' ' A' ' 85' ' ' ARG . 21.9 p-10 -65.71 -39.66 91.43 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.865 -0.607 . . . . 3.44 110.906 177.35 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 36.0 t80 -69.05 -40.55 78.47 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.63 -0.508 . . . . 1.82 109.63 178.472 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.547 ' O ' ' HG3' ' A' ' 87' ' ' GLU . 91.4 m-20 -66.43 -42.85 87.08 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.944 -0.571 . . . . 2.11 111.027 -179.516 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . 0.609 ' HA ' HE21 ' A' ' 84' ' ' GLN . 0.0 OUTLIER -60.17 -45.73 92.08 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.427 -0.351 . . . . 4.28 111.355 -177.437 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.43 ' HG3' ' O ' ' A' ' 81' ' ' ASN . 97.1 mtt180 -63.17 -33.11 74.76 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.232 0.539 . . . . 4.1 109.913 -179.329 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 21.5 ttmm -70.65 -44.16 67.71 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.334 -0.848 . . . . 2.82 110.751 178.253 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.547 ' HG3' ' O ' ' A' ' 83' ' ' ASN . 48.3 mt-10 -68.49 -43.22 77.36 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.343 -0.39 . . . . 2.94 110.805 -178.807 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 40.6 mm-40 -65.06 -31.57 72.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.332 -0.395 . . . . 2.99 110.993 179.558 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 23.4 tp10 -68.55 -35.34 77.28 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.784 -0.45 . . . . 1.83 109.784 178.541 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 7.7 m-70 -61.33 -42.58 98.92 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.191 -0.459 . . . . 0.66 110.194 174.648 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 18.8 m -61.42 -38.51 87.39 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.789 -0.641 . . . . 1.39 110.929 178.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 63.2 tp -70.92 -51.45 25.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 1.22 111.115 179.375 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 94.8 mt -64.58 -32.98 74.86 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.139 -0.482 . . . . 1.34 111.365 -175.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -63.86 -45.28 90.19 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.596 -0.275 . . . . 0.82 110.394 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 55.7 tttp -59.29 -49.53 77.49 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.619 -0.264 . . . . 2.77 111.38 177.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 86.4 mt -59.27 -46.39 88.64 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.379 -0.373 . . . . 1.14 110.806 -178.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 27.6 m -59.7 -45.87 90.79 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.422 -0.353 . . . . 1.16 111.179 176.191 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 7.2 tp60 -64.47 -40.57 95.93 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.169 -0.469 . . . . 3.1 111.263 -178.207 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 31.4 tt0 -65.02 -41.88 94.88 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.754 -0.657 . . . . 2.67 110.614 -177.75 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 77.6 mt -71.12 -47.19 59.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.952 -0.567 . . . . 1.16 111.043 179.697 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 51.0 tp60 -61.47 -35.75 78.51 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.177 -0.465 . . . . 2.34 110.388 -178.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -64.9 -45.29 92.93 Favored Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 120.523 -0.846 . . . . 0.51 111.618 175.294 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 65.0 tp -64.31 -41.24 96.92 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.911 0.386 . . . . 1.33 110.578 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.438 ' HB3' ' SG ' ' A' ' 53' ' ' CYS . . . -58.14 -46.44 85.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.841 -0.618 . . . . 1.11 110.872 -179.758 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 97.4 t -67.55 -34.83 70.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.813 0.34 . . . . 1.27 110.671 178.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 88.1 m -61.07 -39.97 91.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.937 0.399 . . . . 1.27 110.681 177.527 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 65.9 mt -78.98 -35.27 17.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 121.017 0.436 . . . . 1.31 110.646 178.299 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' SER . . . . . 0.429 ' O ' HD12 ' A' ' 112' ' ' ILE . 38.6 t -63.73 -27.15 69.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.027 -0.533 . . . . 1.81 110.499 178.9 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 74.8 mtp180 -119.64 54.25 1.01 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.909 -0.587 . . . . 6.45 109.661 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -81.06 -57.19 3.64 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.578 -0.737 . . . . 6.0 110.348 -175.117 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 65.9 t30 -153.95 69.94 0.8 Allowed 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.676 -0.49 . . . . 7.13 109.676 -177.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.429 HD12 ' O ' ' A' ' 108' ' ' SER . 34.8 mt -91.72 -80.92 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 116.319 -0.4 . . . . 8.73 111.563 -176.075 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 1.1 m -100.16 0.3 40.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.116 0.484 . . . . 9.67 111.38 -171.669 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -83.23 16.14 2.58 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.178 0.513 . . . . 11.2 111.396 -177.463 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 3.6 m -126.18 25.17 2.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 115.702 -0.681 . . . . 12.46 109.604 172.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -112.92 111.42 2.74 Favored Glycine 0 N--CA 1.449 -0.464 0 CA-C-N 115.05 -0.977 . . . . 13.58 111.733 -179.198 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -128.53 155.72 78.35 Favored Pre-proline 0 C--N 1.324 -0.533 0 N-CA-C 110.203 -0.295 . . . . 16.1 110.203 -178.396 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 92.2 Cg_endo -81.27 57.37 6.43 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.43 2.087 . . . . 18.52 111.853 -179.137 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 25.9 m . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.427 -0.797 . . . . 20.33 109.764 -179.485 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.719 0 N-CA-C 111.831 -0.507 . . . . 16.34 111.831 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 26.8 Cg_exo -62.51 -35.42 71.36 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.598 2.198 . . . . 16.69 112.287 -179.273 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 26.5 mmt -129.67 60.79 1.57 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.029 0.442 . . . . 14.03 110.156 -179.522 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -73.26 -26.89 61.28 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.16 -0.473 . . . . 12.86 110.688 179.686 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 59.8 ttp -103.04 97.85 7.88 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.502 -0.555 . . . . 12.51 109.502 175.478 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 91.7 mt -77.48 66.07 3.14 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.121 0.486 . . . . 10.37 111.729 -177.584 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -81.96 74.6 8.93 Favored 'General case' 0 N--CA 1.449 -0.479 0 N-CA-C 109.288 -0.634 . . . . 8.94 109.288 174.235 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 27.6 mmm180 -60.96 -67.42 0.4 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.265 -0.88 . . . . 9.92 111.416 -172.718 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 76.1 mtt180 70.66 -54.63 0.65 Allowed 'General case' 0 N--CA 1.473 0.71 0 N-CA-C 113.26 0.837 . . . . 9.51 113.26 174.35 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 55.3 tp60 -63.22 -68.28 0.35 Allowed 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 111.886 0.328 . . . . 7.54 111.886 -174.273 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 86.3 mtm180 -96.62 -21.5 17.6 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.022 0.439 . . . . 7.69 110.569 -177.765 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -125.04 68.72 57.14 Favored Pre-proline 0 C--N 1.324 -0.54 0 CA-C-N 116.077 -0.51 . . . . 2.19 111.098 178.554 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -64.37 -35.71 48.77 Favored 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 122.419 2.079 . . . . 1.75 111.269 176.77 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 73.5 mt -62.5 -39.93 95.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.534 -0.757 . . . . 1.38 110.982 -177.51 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -66.09 -48.3 71.4 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.612 0.244 . . . . 3.13 110.966 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.94 -45.17 78.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.926 0.393 . . . . 1.28 110.908 -178.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 39.2 tp -62.62 -36.83 84.03 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.976 -0.556 . . . . 1.67 110.868 177.654 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.436 ' HB2' ' NH2' ' A' ' 85' ' ' ARG . 76.5 ttt180 -59.14 -35.51 73.62 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-O 120.748 0.309 . . . . 3.84 110.331 177.251 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 38.4 mtp85 -61.55 -42.17 98.44 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.139 0.495 . . . . 4.35 110.172 176.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 31.0 mmt180 -70.69 -36.23 73.18 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.928 -0.578 . . . . 4.64 110.904 175.739 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 97.5 m-20 -63.82 -40.73 97.32 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.631 0.253 . . . . 1.34 110.598 175.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 53.1 tt0 -63.74 -32.0 73.36 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.03 0.443 . . . . 3.26 110.418 177.004 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.405 ' O ' ' HG3' ' A' ' 27' ' ' GLN . 9.3 tp10 -65.86 -48.2 72.37 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.419 -0.81 . . . . 2.14 109.0 -179.601 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.462 ' O ' HG22 ' A' ' 28' ' ' VAL . 91.0 mt -67.87 -36.75 80.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.126 -0.943 . . . . 1.23 110.595 178.214 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 20.4 tptm -57.8 -46.52 84.52 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.52 -0.309 . . . . 2.44 110.785 178.484 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.606 ' HA ' HE21 ' A' ' 26' ' ' GLN . 0.0 OUTLIER -64.17 -32.76 74.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.031 0.443 . . . . 3.17 110.508 179.188 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.405 ' HG3' ' O ' ' A' ' 23' ' ' GLU . 28.5 mt-30 -70.03 -33.92 72.61 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.951 -0.568 . . . . 1.91 109.798 178.316 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.462 HG22 ' O ' ' A' ' 24' ' ' LEU . 74.9 t -67.75 -43.62 86.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 N-CA-C 109.901 -0.407 . . . . 1.15 109.901 176.545 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -58.02 -36.56 72.88 Favored 'General case' 0 CA--C 1.519 -0.244 0 CA-C-O 121.108 0.48 . . . . 1.21 109.936 175.484 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.592 ' O ' ' HG2' ' A' ' 34' ' ' GLU . 42.2 m -66.88 -40.86 87.94 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.597 -0.729 . . . . 1.9 110.621 178.524 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.447 ' O ' HD12 ' A' ' 31' ' ' LEU . 1.6 tm? -65.16 -40.85 94.92 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.472 -0.566 . . . . 1.8 109.472 -179.243 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.445 ' O ' ' HG2' ' A' ' 36' ' ' GLN . 97.0 mt -63.35 -40.48 97.41 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.106 -0.497 . . . . 1.39 111.058 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 11.9 p -71.42 -32.21 68.13 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.458 -0.337 . . . . 1.9 111.773 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.592 ' HG2' ' O ' ' A' ' 30' ' ' SER . 42.3 mm-40 -75.5 -37.86 59.87 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 121.188 0.518 . . . . 1.86 110.872 -178.008 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 22.0 p -71.65 -11.21 60.72 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.84 -0.618 . . . . 1.94 112.088 -174.15 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.445 ' HG2' ' O ' ' A' ' 32' ' ' LEU . 34.8 mm-40 -103.39 1.51 32.7 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.972 -0.381 . . . . 3.55 109.972 -176.748 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.584 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 93.7 mt -75.87 133.94 40.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.066 -0.515 . . . . 1.43 110.14 -178.671 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 54.9 mttp -65.4 -33.32 75.68 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.273 -0.876 . . . . 4.11 110.804 -175.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -76.45 -21.83 55.38 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.083 -0.508 . . . . 3.24 110.681 178.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -92.38 -0.86 57.34 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.987 -0.551 . . . . 1.64 111.144 -176.688 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.584 ' HG ' ' O ' ' A' ' 37' ' ' LEU . 92.2 mt -85.21 3.99 36.73 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.847 -0.615 . . . . 3.2 110.765 179.153 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.536 ' O ' ' HG3' ' A' ' 46' ' ' ARG . 51.7 mm-40 -69.31 143.52 93.71 Favored Pre-proline 0 C--N 1.325 -0.496 0 CA-C-N 115.967 -0.56 . . . . 3.43 110.343 177.898 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_endo -50.28 -48.41 20.13 Favored 'Trans proline' 0 C--N 1.348 0.52 0 C-N-CA 122.897 2.398 . . . . 2.0 113.445 -171.401 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -68.55 -40.79 80.51 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.816 -0.175 . . . . 2.03 111.084 -174.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 27.7 tptp -62.52 -31.41 72.18 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.635 -0.257 . . . . 2.52 110.877 -179.586 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.536 ' HG3' ' O ' ' A' ' 42' ' ' GLU . 96.0 mtt180 -56.7 -42.08 78.52 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.396 -0.365 . . . . 4.27 110.756 178.625 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -64.66 -36.06 83.03 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.938 0.399 . . . . 3.02 110.815 178.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 7.8 t60 -69.86 -38.8 76.55 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.978 -0.555 . . . . 1.15 110.065 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 65.2 mt -69.45 -43.4 80.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.286 -0.416 . . . . 1.37 110.188 178.317 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 58.6 t80 -54.28 -40.27 67.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 0.97 110.879 175.73 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 57.6 tp60 -64.46 -44.88 89.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.029 0.443 . . . . 1.98 110.38 177.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.442 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 28.3 mmm180 -65.76 -33.03 74.92 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.052 -0.522 . . . . 4.54 110.953 -179.595 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 31.3 t -68.0 -41.67 81.91 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.078 -0.51 . . . . 1.09 109.763 179.11 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 62.0 mt -59.06 -40.78 81.59 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-N 115.787 -0.642 . . . . 1.17 110.722 175.475 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 58.2 tp60 -60.73 -50.1 74.84 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.26 -0.427 . . . . 3.22 110.7 -179.387 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.445 ' O ' HG13 ' A' ' 60' ' ' ILE . 52.6 mt -60.61 -40.19 90.94 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.242 -0.435 . . . . 1.07 111.405 178.079 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 39.8 ttpt -61.35 -45.85 92.67 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.997 0.427 . . . . 2.42 110.566 -178.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -64.11 -35.85 82.11 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.79 -0.641 . . . . 2.95 111.05 178.532 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -67.03 -40.01 87.1 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.348 -0.387 . . . . 1.07 111.195 179.508 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.445 HG13 ' O ' ' A' ' 56' ' ' LEU . 77.9 mt -66.79 -44.07 89.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.363 -0.38 . . . . 1.16 110.376 178.833 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -60.07 -36.3 77.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.83 -0.623 . . . . 0.64 109.988 178.407 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -61.0 -47.27 87.22 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.403 -0.817 . . . . 2.28 110.99 177.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 7.6 m-20 -65.46 -42.79 91.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.446 . . . . 1.6 110.743 178.65 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 84.5 tttt -60.23 -46.09 90.96 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.893 -0.594 . . . . 2.04 110.677 178.606 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -66.09 -36.48 83.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.082 -0.508 . . . . 1.94 111.092 -178.404 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -63.86 -47.48 80.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.985 0.421 . . . . 1.16 110.694 177.425 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 56.8 tp -63.56 -43.8 95.98 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.9 -0.591 . . . . 1.26 110.75 179.313 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 63.5 tt0 -63.56 -28.43 69.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.87 -0.605 . . . . 2.3 111.122 179.548 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 28.7 ttpp -76.58 -20.77 56.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.943 0.402 . . . . 3.1 110.759 -178.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 97.9 mt -77.09 73.74 3.67 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.236 0.541 . . . . 2.65 110.367 178.264 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 36.8 m -94.41 42.81 1.1 Allowed 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.821 -0.627 . . . . 3.15 110.726 -178.62 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.442 ' HG3' ' O ' ' A' ' 72' ' ' LYS . 47.2 pttt -79.55 87.69 5.12 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.362 0.601 . . . . 6.43 110.039 178.751 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -79.58 -29.25 41.19 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.186 -0.461 . . . . 5.15 111.726 -177.014 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -101.18 -25.69 13.92 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.584 -0.446 . . . . 6.87 111.297 -177.641 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -91.18 41.71 1.07 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.336 0.588 . . . . 6.68 110.456 177.218 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 22.9 t -160.85 161.58 31.94 Favored 'General case' 0 N--CA 1.446 -0.641 0 CA-C-N 115.304 -0.862 . . . . 5.08 108.872 -178.535 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -115.96 89.66 25.33 Favored Pre-proline 0 C--N 1.322 -0.619 0 N-CA-C 110.391 -0.226 . . . . 5.04 110.391 178.607 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 7.4 Cg_exo -73.92 59.53 4.35 Favored 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 122.993 2.462 . . . . 4.46 112.286 178.708 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 22.0 t -80.91 -70.81 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.433 -0.349 . . . . 3.99 111.082 -177.638 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -155.57 -63.95 0.12 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.605 0.24 . . . . 2.78 111.628 -178.402 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -58.11 -42.04 84.88 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-O 120.879 0.371 . . . . 3.44 111.067 -177.241 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 26.7 t80 -66.12 -38.36 88.0 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.944 -0.571 . . . . 1.82 110.198 -179.188 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 76.1 m-20 -68.64 -41.07 79.89 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-O 121.177 0.513 . . . . 2.11 110.278 -179.382 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . 0.484 ' O ' ' HG2' ' A' ' 88' ' ' GLU . 8.1 tt0 -61.16 -51.0 70.9 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.394 -0.821 . . . . 4.28 110.869 -177.486 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.46 ' O ' ' HG2' ' A' ' 89' ' ' GLU . 11.2 mtp180 -67.92 -35.17 77.98 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.395 -0.366 . . . . 4.1 111.688 -176.058 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 38.8 ttmt -59.5 -39.56 84.21 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.108 0.48 . . . . 2.82 110.277 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 15.9 tp10 -71.73 -39.63 69.97 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.89 -0.596 . . . . 2.94 110.386 178.055 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.484 ' HG2' ' O ' ' A' ' 84' ' ' GLN . 47.9 mm-40 -63.98 -37.72 88.44 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.09 -0.504 . . . . 2.99 111.595 -176.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.46 ' HG2' ' O ' ' A' ' 85' ' ' ARG . 70.0 mm-40 -60.82 -42.63 98.06 Favored 'General case' 0 C--N 1.332 -0.163 0 N-CA-C 109.598 -0.519 . . . . 1.83 109.598 177.499 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 32.1 m-70 -63.53 -37.95 89.26 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.872 -0.604 . . . . 0.66 110.503 176.474 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 25.9 m -65.92 -38.9 89.89 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.999 0.428 . . . . 1.39 111.031 -179.41 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.445 ' O ' ' HG ' ' A' ' 96' ' ' LEU . 57.8 tp -70.22 -51.9 27.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.102 -0.499 . . . . 1.22 110.648 179.525 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 89.9 mt -66.29 -33.37 75.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.494 . . . . 1.34 111.096 -175.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -64.43 -45.24 88.36 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.742 -0.208 . . . . 0.82 111.126 -178.434 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 59.9 tttp -62.36 -45.1 94.71 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.725 0.298 . . . . 2.77 110.555 178.338 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.445 ' HG ' ' O ' ' A' ' 92' ' ' LEU . 86.4 mt -59.24 -46.57 88.14 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.94 -0.573 . . . . 1.14 110.485 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 28.0 m -58.86 -46.1 88.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.23 -0.441 . . . . 1.16 111.335 177.318 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 8.7 tp-100 -68.46 -41.17 80.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.28 -0.418 . . . . 3.1 111.1 -176.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 9.9 tt0 -63.76 -48.23 77.81 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.983 -0.553 . . . . 2.67 110.766 -179.678 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 66.8 mt -63.95 -44.56 92.46 Favored 'General case' 0 C--O 1.222 -0.369 0 CA-C-N 116.194 -0.457 . . . . 1.16 110.776 -178.682 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 52.3 tp60 -61.51 -40.68 95.5 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.451 -0.34 . . . . 2.34 110.361 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -67.51 -43.32 86.93 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.763 -0.732 . . . . 0.51 111.998 177.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.463 ' O ' HG13 ' A' ' 107' ' ' ILE . 54.3 tp -68.16 -42.8 79.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.546 0.213 . . . . 1.33 110.895 -179.64 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -56.08 -46.75 78.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.948 0.404 . . . . 1.11 110.933 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 96.3 t -65.4 -32.55 58.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.0 -0.545 . . . . 1.27 110.604 178.183 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 60.4 m -66.92 -42.11 85.92 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.232 -0.44 . . . . 1.27 110.683 176.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . 0.463 HG13 ' O ' ' A' ' 103' ' ' LEU . 73.0 mt -68.78 -40.27 81.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.196 -0.456 . . . . 1.31 110.761 -178.884 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 41.9 t -80.16 -5.51 56.17 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.026 -0.533 . . . . 1.81 110.241 -179.564 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 24.7 mmt180 65.76 -166.92 0.22 Allowed 'General case' 0 C--O 1.232 0.177 0 CA-C-N 115.346 -0.843 . . . . 6.45 111.412 178.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -78.23 46.45 0.61 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.399 0.619 . . . . 6.0 111.023 -179.207 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -83.12 69.53 9.89 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.745 -0.661 . . . . 7.13 109.289 177.538 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 78.9 mt -61.15 -37.05 76.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.655 -0.702 . . . . 8.73 109.707 179.508 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 12.2 m -78.94 61.66 3.2 Favored 'General case' 0 N--CA 1.448 -0.557 0 CA-C-N 115.569 -0.741 . . . . 9.67 109.902 174.103 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -93.96 -12.42 28.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.829 -0.623 . . . . 11.2 110.523 179.096 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 24.5 t -81.49 87.29 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.819 -0.628 . . . . 12.46 110.716 -176.322 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -87.33 71.54 2.67 Favored Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.912 -0.661 . . . . 13.58 111.478 176.053 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -121.24 106.45 38.34 Favored Pre-proline 0 C--N 1.325 -0.494 0 CA-C-O 120.608 0.242 . . . . 16.1 110.762 -176.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 89.8 Cg_endo -80.41 24.08 0.67 Allowed 'Trans proline' 0 CA--C 1.53 0.317 0 C-N-CA 122.554 2.169 . . . . 18.52 112.389 178.71 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 2.7 p . . . . . 0 C--O 1.251 1.154 0 CA-C-O 118.691 -0.671 . . . . 20.33 111.087 -179.756 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.791 0 N-CA-C 111.981 -0.447 . . . . 16.34 111.981 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -61.89 123.73 13.16 Favored 'Trans proline' 0 C--O 1.236 0.384 0 C-N-CA 122.795 2.33 . . . . 16.69 112.408 -178.5 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 70.7 mtm 60.94 -159.01 0.32 Allowed 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 115.659 -0.701 . . . . 14.03 111.014 179.676 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -90.47 -60.01 2.03 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.882 0.372 . . . . 12.86 111.01 -179.751 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 50.0 tpp -127.65 90.52 3.13 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.06 0.457 . . . . 12.51 110.541 -178.082 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 63.0 tp -104.24 124.05 48.44 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.025 -0.534 . . . . 10.37 110.194 176.14 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -76.06 68.49 2.53 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.33 0.586 . . . . 8.94 110.573 176.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 15.3 ptm180 -85.05 -20.34 30.58 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.273 -0.876 . . . . 9.92 110.821 -178.514 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 57.5 mtp180 -119.49 113.55 20.92 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.359 -0.382 . . . . 9.51 110.198 177.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -80.07 77.12 6.79 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.099 0.476 . . . . 7.54 109.991 178.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 28.2 mmm180 -89.81 142.54 27.59 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.06 -0.518 . . . . 7.69 110.028 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.8 t70 59.53 72.82 0.74 Allowed Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.101 0.876 . . . . 2.19 110.698 -178.051 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -60.12 -28.66 87.44 Favored 'Trans proline' 0 C--N 1.348 0.532 0 C-N-CA 123.194 2.596 . . . . 1.75 112.935 -177.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 95.2 mt -57.74 -38.87 76.1 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.675 -0.239 . . . . 1.38 110.707 178.71 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -62.01 -45.15 94.88 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-O 120.729 0.3 . . . . 3.13 110.989 177.615 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.93 -45.01 94.52 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.993 0.425 . . . . 1.28 110.658 179.447 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.424 HD21 ' HB2' ' A' ' 67' ' ' LEU . 51.3 tp -64.91 -37.78 88.78 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.969 -0.56 . . . . 1.67 110.879 177.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.417 ' O ' ' HG2' ' A' ' 22' ' ' GLN . 37.7 ttp180 -58.7 -37.84 76.98 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.827 -0.434 . . . . 3.84 109.827 177.486 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 68.7 ttt180 -63.74 -42.32 97.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.968 -0.56 . . . . 4.35 110.154 176.523 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.4 HH11 ' HD2' ' A' ' 20' ' ' ARG . 36.4 mtp85 -61.74 -42.34 98.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.805 -0.634 . . . . 4.64 110.781 175.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 89.5 m-20 -63.18 -39.08 93.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.465 -0.334 . . . . 1.34 111.368 178.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.417 ' HG2' ' O ' ' A' ' 18' ' ' ARG . 18.0 mm-40 -63.58 -32.27 73.68 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-O 121.237 0.542 . . . . 3.26 110.477 177.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.474 ' O ' ' HG3' ' A' ' 27' ' ' GLN . 35.8 tt0 -70.29 -44.43 68.37 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.57 -0.741 . . . . 2.14 109.622 178.737 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.593 HD13 ' ND2' ' A' ' 63' ' ' ASN . 97.3 mt -64.65 -40.19 95.01 Favored 'General case' 0 CA--C 1.516 -0.331 0 CA-C-N 115.717 -0.674 . . . . 1.23 110.93 178.31 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 53.4 tttm -58.14 -40.97 82.67 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.774 0.321 . . . . 2.44 110.412 179.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -64.56 -34.31 77.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.28 -0.418 . . . . 3.17 110.4 178.1 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.474 ' HG3' ' O ' ' A' ' 23' ' ' GLU . 25.3 mt-30 -69.23 -37.18 77.87 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.026 -0.534 . . . . 1.91 110.313 179.771 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 85.6 t -68.96 -46.65 78.6 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-N 116.199 -0.455 . . . . 1.15 110.316 179.02 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -60.0 -33.11 71.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.049 -0.523 . . . . 1.21 110.513 176.348 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 26.7 t -64.24 -42.61 96.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 1.9 110.134 177.327 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 44.5 tp -62.41 -47.08 85.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.08 -0.509 . . . . 1.8 110.202 177.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 94.5 mt -59.65 -33.02 71.01 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.601 -0.727 . . . . 1.39 110.904 177.706 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 32.4 t -62.64 -41.93 99.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.409 -0.36 . . . . 1.9 110.511 178.736 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -73.69 -40.46 63.62 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.306 0.574 . . . . 1.86 109.757 179.238 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 29.0 t -68.88 -10.04 54.88 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.245 -0.888 . . . . 1.94 111.453 -178.38 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 27.3 tt0 -96.64 -5.01 39.99 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.594 0.712 . . . . 3.55 109.78 -175.068 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 85.6 mt -88.74 153.38 21.14 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.643 -0.708 . . . . 1.43 110.307 -177.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 62.4 tttp -71.75 -29.98 65.1 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.111 -0.495 . . . . 4.11 110.148 178.741 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -68.02 -17.79 64.52 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.688 -0.687 . . . . 3.24 110.881 179.15 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -74.65 -13.38 60.63 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.074 -0.512 . . . . 1.64 111.642 -176.695 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 27.0 tp -85.45 3.69 39.03 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.419 0.628 . . . . 3.2 110.151 178.708 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.544 ' OE1' ' HD2' ' A' ' 43' ' ' PRO . 10.5 tp10 -81.45 119.2 75.01 Favored Pre-proline 0 C--N 1.324 -0.514 0 N-CA-C 108.86 -0.792 . . . . 3.43 108.86 175.36 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.544 ' HD2' ' OE1' ' A' ' 42' ' ' GLU . 82.7 Cg_exo -45.66 -42.51 19.0 Favored 'Trans proline' 0 C--N 1.352 0.715 0 C-N-CA 123.026 2.484 . . . . 2.0 114.203 -170.425 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 7.2 m-20 -59.81 -47.95 83.64 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 120.566 0.222 . . . . 2.03 111.182 -178.529 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.481 ' HZ2' ' HB2' ' A' ' 45' ' ' LYS . 0.0 OUTLIER -74.37 -37.84 63.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.981 0.42 . . . . 2.52 110.629 178.645 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.507 HH12 ' CD ' ' A' ' 110' ' ' GLU . 39.7 ttt180 -61.37 -43.35 99.02 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.514 -0.767 . . . . 4.27 111.092 -177.431 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 11.7 mm100 -68.11 -31.66 71.42 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-O 120.989 0.423 . . . . 3.02 110.342 178.081 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 33.0 t60 -66.99 -34.54 77.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.034 -0.53 . . . . 1.15 109.842 177.324 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.44 HG13 ' O ' ' A' ' 45' ' ' LYS . 70.3 mt -59.42 -41.7 85.34 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.144 0 CA-C-N 116.279 -0.419 . . . . 1.37 110.382 176.323 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 26.6 t80 -54.74 -40.92 69.79 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 116.098 -0.501 . . . . 0.97 111.236 176.278 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 59.5 tp60 -65.95 -44.11 85.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.872 0.368 . . . . 1.98 110.532 179.229 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.527 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 82.5 mtt180 -61.23 -36.71 80.68 Favored 'General case' 0 CA--C 1.52 -0.21 0 CA-C-O 121.003 0.43 . . . . 4.54 110.549 177.093 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 4.6 t -67.49 -42.32 83.11 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.482 -0.781 . . . . 1.09 109.909 -175.556 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 69.0 mt -59.95 -47.69 90.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.885 -0.598 . . . . 1.17 111.037 176.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 25.8 tm0? -63.15 -49.33 74.76 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.256 -0.429 . . . . 3.22 110.973 -176.515 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.527 ' HG ' ' O ' ' A' ' 52' ' ' ARG . 78.4 mt -59.91 -37.0 78.17 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.593 -0.276 . . . . 1.07 111.391 178.466 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 82.2 tttt -64.74 -39.44 93.63 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.961 0.41 . . . . 2.42 110.038 178.365 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 -63.56 -35.72 81.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.89 -0.595 . . . . 2.95 110.858 178.618 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -68.15 -40.11 82.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.27 -0.423 . . . . 1.07 111.018 179.496 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 65.7 mt -67.28 -42.31 87.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-O 120.933 0.397 . . . . 1.16 110.266 178.499 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -59.57 -39.76 85.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.851 -0.613 . . . . 0.64 110.2 178.166 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -61.35 -47.81 84.19 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.486 -0.779 . . . . 2.28 111.002 179.399 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . 0.593 ' ND2' HD13 ' A' ' 24' ' ' LEU . 28.8 m-80 -69.89 -37.09 75.91 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.207 -0.451 . . . . 1.6 110.81 -179.736 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 81.7 tttt -60.26 -44.55 95.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.99 0.424 . . . . 2.04 110.125 174.609 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -67.53 -36.23 80.61 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.917 -0.583 . . . . 1.94 110.719 179.18 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -62.17 -44.22 97.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.092 0.472 . . . . 1.16 110.413 177.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.424 ' HB2' HD21 ' A' ' 17' ' ' LEU . 32.0 tp -64.04 -42.44 97.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.658 -0.701 . . . . 1.26 111.071 178.63 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -73.54 -24.12 60.09 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.066 0.46 . . . . 2.3 110.631 179.644 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -74.76 -24.13 58.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.419 0.628 . . . . 3.1 109.692 175.151 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 2.8 tt -79.35 68.68 5.42 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 108.727 -0.842 . . . . 2.65 108.727 176.144 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 41.8 m -88.72 90.52 8.44 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.127 -0.942 . . . . 3.15 111.263 -175.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -103.38 48.07 0.86 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.408 0.623 . . . . 6.43 109.587 173.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -73.32 -7.7 52.72 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.405 -0.816 . . . . 5.15 111.284 -178.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.404 ' O ' ' HB3' ' A' ' 75' ' ' GLU . 8.1 p-10 -81.2 3.78 22.54 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.986 -0.552 . . . . 6.87 110.025 176.501 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.404 ' HB3' ' O ' ' A' ' 74' ' ' ASP . 35.7 tt0 81.25 108.64 0.07 Allowed 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 114.782 -1.099 . . . . 6.68 111.694 174.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 12.0 p -103.86 -61.7 1.4 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.658 -0.701 . . . . 5.08 110.055 176.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -162.02 63.0 1.47 Allowed Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 115.98 -0.554 . . . . 5.04 111.199 177.008 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_endo -83.07 60.07 6.91 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.397 2.064 . . . . 4.46 111.832 -178.423 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 60.1 t -73.5 -62.11 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-N 115.817 -0.629 . . . . 3.99 111.059 -177.472 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -158.7 -58.29 0.07 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.812 0.339 . . . . 2.78 111.267 179.396 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -64.26 -37.4 87.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.264 -0.425 . . . . 3.44 111.01 -178.679 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 11.8 t80 -56.96 -39.99 75.63 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.208 -0.451 . . . . 1.82 110.606 -177.349 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -71.61 -45.76 61.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.015 0.436 . . . . 2.11 110.526 -178.635 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . 0.421 ' O ' ' HG2' ' A' ' 88' ' ' GLU . 48.1 mt-30 -68.58 -48.29 64.57 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.627 -0.715 . . . . 4.28 111.105 -176.055 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -63.53 -37.68 88.23 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.229 -0.441 . . . . 4.1 111.118 -175.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 35.7 ttmt -61.37 -46.31 90.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.067 0.46 . . . . 2.82 110.629 178.549 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -71.71 -35.56 70.26 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.04 -0.527 . . . . 2.94 111.161 -178.552 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.421 ' HG2' ' O ' ' A' ' 84' ' ' GLN . 63.6 mm-40 -58.01 -40.82 81.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.655 0.264 . . . . 2.99 111.402 -179.533 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -69.61 -35.14 75.01 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.811 -0.356 . . . . 1.83 110.368 179.534 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 9.4 m-70 -61.06 -46.88 88.9 Favored 'General case' 0 N--CA 1.464 0.259 0 N-CA-C 109.762 -0.458 . . . . 0.66 109.762 173.241 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 25.6 m -58.1 -43.13 86.95 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.639 -0.709 . . . . 1.39 111.245 -179.246 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.436 ' O ' ' HG ' ' A' ' 96' ' ' LEU . 60.5 tp -70.44 -52.4 22.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 1.22 111.233 -179.08 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 94.4 mt -66.27 -33.69 76.3 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.295 -0.412 . . . . 1.34 111.709 -173.782 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -68.21 -44.47 75.72 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.702 -0.399 . . . . 0.82 110.754 -177.63 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.434 ' O ' ' HG2' ' A' ' 99' ' ' GLN . 35.1 ttpt -60.7 -44.32 96.72 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.627 0.251 . . . . 2.77 110.615 177.048 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.436 ' HG ' ' O ' ' A' ' 92' ' ' LEU . 90.4 mt -58.81 -43.36 90.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.097 -0.501 . . . . 1.14 110.502 178.035 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 39.3 m -58.76 -43.36 90.32 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.851 0.357 . . . . 1.16 110.874 175.232 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 23.6 tt0 -66.54 -40.98 89.38 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.017 -0.538 . . . . 3.1 111.213 -177.735 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.434 ' HG2' ' O ' ' A' ' 95' ' ' LYS . 85.6 mm-40 -63.99 -45.19 90.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 2.67 110.764 -179.685 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 67.6 mt -66.94 -39.55 87.35 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.125 -0.489 . . . . 1.16 110.306 179.663 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 23.3 tm0? -61.8 -42.76 99.42 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.646 -0.706 . . . . 2.34 109.73 178.128 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -65.74 -45.8 86.86 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 121.015 -0.612 . . . . 0.51 112.282 179.041 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 63.2 tp -63.82 -45.19 90.7 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.852 0.358 . . . . 1.33 110.421 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -57.89 -46.68 84.54 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.785 -0.643 . . . . 1.11 111.186 -178.74 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 77.6 t -69.15 -37.91 77.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.37 -0.377 . . . . 1.27 111.105 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 97.1 m -61.48 -37.91 85.36 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.824 0.345 . . . . 1.27 111.211 179.219 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 77.2 mt -75.68 -32.86 25.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 121.144 0.497 . . . . 1.31 110.702 177.524 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 43.0 t -77.73 -17.16 57.88 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.073 -0.512 . . . . 1.81 110.746 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 40.0 ttp180 -83.95 67.35 9.59 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.279 0.561 . . . . 6.45 110.19 -177.538 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.507 ' CD ' HH12 ' A' ' 46' ' ' ARG . 40.8 mm-40 -124.37 41.64 3.45 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.761 -0.654 . . . . 6.0 111.13 -176.712 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 66.4 t30 -100.02 52.98 0.91 Allowed 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.344 0.592 . . . . 7.13 109.692 178.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 23.5 mt -112.67 82.91 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.848 -0.615 . . . . 8.73 110.221 179.26 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' THR . . . . . 0.431 ' O ' ' HB2' ' A' ' 114' ' ' GLU . 23.6 m -103.05 90.37 3.73 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.834 -0.621 . . . . 9.67 109.814 178.684 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.431 ' HB2' ' O ' ' A' ' 113' ' ' THR . 0.7 OUTLIER 70.37 135.25 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.288 0 O-C-N 123.698 0.624 . . . . 11.2 110.932 -178.041 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 32.5 m -90.68 -16.41 8.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 116.189 -0.46 . . . . 12.46 111.369 -176.674 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -81.39 113.08 3.57 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 121.084 -0.579 . . . . 13.58 112.36 -178.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . 0.529 ' HB1' ' HD3' ' A' ' 118' ' ' PRO . . . -70.97 -49.7 12.83 Favored Pre-proline 0 CA--C 1.537 0.446 0 N-CA-C 111.827 0.306 . . . . 16.1 111.827 179.246 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . 0.529 ' HD3' ' HB1' ' A' ' 117' ' ' ALA . 7.7 Cg_exo -73.51 -60.97 0.04 OUTLIER 'Trans proline' 0 C--N 1.353 0.793 0 C-N-CA 121.874 1.716 . . . . 18.52 111.387 176.288 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 5.1 t . . . . . 0 C--O 1.25 1.122 0 CA-C-N 115.864 -0.607 . . . . 20.33 109.852 179.354 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.841 0 N-CA-C 111.817 -0.513 . . . . 16.34 111.817 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -72.64 127.66 12.64 Favored 'Trans proline' 0 C--O 1.237 0.461 0 C-N-CA 122.649 2.233 . . . . 16.69 112.633 -179.215 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 88.2 mtp -110.01 123.51 49.8 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.115 -0.493 . . . . 14.03 110.495 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -99.08 -4.35 32.58 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.441 -0.345 . . . . 12.86 111.335 -178.586 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 14.7 tpt -77.67 135.02 38.03 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.557 -0.292 . . . . 12.51 110.504 179.119 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 52.4 tp -146.06 135.51 23.05 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.76 -0.459 . . . . 10.37 109.76 178.061 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -68.33 103.16 1.54 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.39 -0.368 . . . . 8.94 110.227 176.585 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 77.4 mtp180 -120.52 -5.39 9.79 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.678 0.275 . . . . 9.92 111.211 -179.192 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 40.3 ttm180 -78.35 -50.02 12.53 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.869 0.366 . . . . 9.51 110.225 178.555 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 47.5 tp60 -123.92 106.87 10.78 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.993 -0.549 . . . . 7.54 110.202 178.662 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.426 ' O ' ' HD3' ' A' ' 13' ' ' PRO . 38.0 mtp180 -125.9 -49.58 1.6 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.827 -0.624 . . . . 7.69 110.052 177.497 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -74.47 110.42 9.56 Favored Pre-proline 0 C--N 1.324 -0.508 0 CA-C-N 115.522 -0.763 . . . . 2.19 110.276 -178.137 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.426 ' HD3' ' O ' ' A' ' 11' ' ' ARG . 25.7 Cg_exo -62.27 -29.9 80.7 Favored 'Trans proline' 0 C--N 1.343 0.26 0 C-N-CA 122.31 2.007 . . . . 1.75 110.837 177.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.48 HD23 ' HZ1' ' A' ' 86' ' ' LYS . 67.9 mt -65.86 -32.46 73.99 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.074 -0.967 . . . . 1.38 110.781 177.865 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -65.33 -47.08 77.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.992 0.425 . . . . 3.13 110.343 178.68 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.38 -44.19 88.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.979 -0.555 . . . . 1.28 110.472 178.587 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 56.6 tp -64.09 -43.97 93.76 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.926 -0.579 . . . . 1.67 111.087 179.19 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 35.3 ttm180 -59.41 -37.93 79.31 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.683 0.277 . . . . 3.84 111.123 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 43.9 ttp180 -60.01 -43.81 94.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.208 0.527 . . . . 4.35 109.683 175.713 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 92.3 mtt180 -69.27 -38.03 78.18 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.357 -0.838 . . . . 4.64 111.324 177.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 -64.41 -41.07 96.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.48 0.181 . . . . 1.34 110.752 177.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 49.5 tt0 -66.78 -30.13 70.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.903 0.383 . . . . 3.26 110.006 176.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -63.97 -46.38 84.88 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.204 -0.665 . . . . 2.14 109.204 177.509 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.467 ' O ' HG21 ' A' ' 28' ' ' VAL . 88.3 mt -69.65 -38.93 77.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.564 -0.744 . . . . 1.23 110.836 177.531 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 63.7 tttm -60.21 -40.57 90.56 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.459 -0.337 . . . . 2.44 110.794 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 56.0 tt0 -64.88 -35.47 81.23 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.185 0.516 . . . . 3.17 110.022 177.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -70.66 -34.43 72.03 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.673 -0.694 . . . . 1.91 110.704 179.406 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.467 HG21 ' O ' ' A' ' 24' ' ' LEU . 71.9 t -67.33 -48.31 78.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.486 -0.324 . . . . 1.15 110.279 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -62.98 -36.88 84.99 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.429 -0.35 . . . . 1.21 111.05 178.229 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 9.0 t -66.22 -38.03 86.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.99 0.424 . . . . 1.9 110.034 178.497 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -63.61 -45.99 87.8 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.377 -0.601 . . . . 1.8 109.377 177.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.468 HD13 ' NE2' ' A' ' 99' ' ' GLN . 97.0 mt -60.34 -33.58 72.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.935 -0.575 . . . . 1.39 110.961 177.032 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 40.7 m -62.67 -40.04 95.83 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.224 -0.444 . . . . 1.9 110.635 179.704 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -75.89 -35.62 59.78 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.086 0.469 . . . . 1.86 110.254 178.511 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 11.5 t -68.09 -10.29 52.78 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.591 -0.731 . . . . 1.94 110.763 -179.35 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -98.14 -8.82 26.84 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-O 121.487 0.661 . . . . 3.55 109.495 -175.547 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 87.0 mt -78.7 135.48 37.18 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.466 -0.788 . . . . 1.43 110.569 -177.134 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 58.4 mtpt -70.74 -29.47 65.73 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.347 -0.842 . . . . 4.11 110.613 -179.532 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -73.15 -18.19 61.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.992 -0.549 . . . . 3.24 110.229 176.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -76.77 -0.45 23.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.296 -0.411 . . . . 1.64 110.766 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 58.8 tp -67.41 -14.62 63.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.76 -0.655 . . . . 3.2 109.985 173.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.44 ' HG3' ' H ' ' A' ' 45' ' ' LYS . 11.8 tp10 -52.14 115.86 7.47 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-N 115.496 -0.775 . . . . 3.43 110.062 174.047 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.427 ' HD2' ' OE1' ' A' ' 42' ' ' GLU . 69.9 Cg_exo -51.28 -31.01 35.5 Favored 'Trans proline' 0 C--N 1.354 0.842 0 C-N-CA 122.907 2.405 . . . . 2.0 112.732 179.798 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 88.8 m-20 -69.57 -47.82 62.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.507 -0.315 . . . . 2.03 110.249 178.482 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.44 ' H ' ' HG3' ' A' ' 42' ' ' GLU . 23.4 tptm -66.88 -34.47 77.86 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.574 -0.285 . . . . 2.52 110.956 178.7 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 60.6 mtp180 -58.0 -41.13 82.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.666 0.269 . . . . 4.27 110.81 177.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 85.8 mm-40 -67.89 -33.32 74.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.924 0.392 . . . . 3.02 110.505 177.481 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 28.0 t60 -68.07 -41.59 81.72 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.109 -0.496 . . . . 1.15 109.944 177.596 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 74.2 mt -66.12 -45.16 91.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 1.37 109.931 178.461 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 51.2 t80 -54.17 -41.19 68.25 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.92 -0.582 . . . . 0.97 111.519 176.567 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 48.3 tp60 -65.67 -45.97 80.89 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.78 0.324 . . . . 1.98 110.999 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.546 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 36.3 mmt180 -67.95 -32.11 72.31 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.758 0.313 . . . . 4.54 111.047 -179.758 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 36.6 t -67.12 -44.02 80.96 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.112 -0.495 . . . . 1.09 110.006 179.373 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 65.1 mt -58.78 -44.56 90.52 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 115.977 -0.556 . . . . 1.17 111.033 175.43 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 40.4 tt0 -61.17 -48.96 79.14 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.81 -0.632 . . . . 3.22 110.814 -176.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.546 ' HG ' ' O ' ' A' ' 52' ' ' ARG . 71.5 mt -61.37 -39.43 90.61 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.368 -0.378 . . . . 1.07 111.287 178.543 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 41.7 tttp -59.18 -45.07 92.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.98 0.419 . . . . 2.42 110.563 179.198 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 81.3 mt-30 -65.9 -34.39 78.02 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.897 -0.592 . . . . 2.95 111.242 177.266 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -68.62 -38.66 80.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.882 0.373 . . . . 1.07 110.881 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.488 HG13 ' O ' ' A' ' 56' ' ' LEU . 75.3 mt -69.19 -39.64 79.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 121.024 0.44 . . . . 1.16 110.041 178.062 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -60.07 -36.73 78.01 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 115.71 -0.677 . . . . 0.64 109.966 176.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -62.15 -47.0 86.49 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.34 -0.845 . . . . 2.28 110.691 176.055 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -64.18 -38.96 92.94 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.453 -0.339 . . . . 1.6 110.676 177.499 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -58.12 -45.0 88.05 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.041 -0.527 . . . . 2.04 110.639 176.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.426 HD21 ' HA ' ' A' ' 65' ' ' ASN . 3.6 m120 -67.93 -37.65 81.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.298 -0.41 . . . . 1.94 111.082 178.594 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -63.01 -46.96 85.18 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.012 0.434 . . . . 1.16 110.434 177.09 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 41.5 tp -65.21 -36.87 85.51 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.944 -0.571 . . . . 1.26 110.669 178.416 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -59.3 -31.67 69.35 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.424 -0.353 . . . . 2.3 111.189 175.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 51.7 tptt -77.6 -28.44 51.58 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.595 0.712 . . . . 3.1 109.66 176.711 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 74.9 mt -92.85 39.59 1.04 Allowed 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.488 -0.778 . . . . 2.65 110.768 178.032 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 55.0 m -86.55 24.07 1.5 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.34 0.591 . . . . 3.15 110.349 178.697 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 53.2 mttp -85.45 97.62 10.13 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.745 -0.661 . . . . 6.43 109.322 179.033 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -66.65 -25.79 66.74 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.25 0.547 . . . . 5.15 110.912 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.519 ' HA ' ' HD3' ' A' ' 78' ' ' PRO . 11.8 m-20 -81.28 2.81 26.44 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.562 -0.745 . . . . 6.87 111.908 -176.499 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 22.3 pt-20 -58.5 -27.55 64.56 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 111.769 0.285 . . . . 6.68 111.769 -176.333 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.637 ' HB2' ' CE2' ' A' ' 82' ' ' TYR . 12.6 m -153.19 41.02 0.55 Allowed 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 121.207 -0.197 . . . . 5.08 111.049 176.694 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . 63.61 103.19 0.03 OUTLIER Pre-proline 0 N--CA 1.469 0.48 0 O-C-N 123.593 0.558 . . . . 5.04 111.702 -179.645 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.519 ' HD3' ' HA ' ' A' ' 74' ' ' ASP . 98.8 Cg_endo -82.14 68.4 7.86 Favored 'Trans proline' 0 N--CA 1.46 -0.467 0 C-N-CA 122.648 2.232 . . . . 4.46 112.059 -176.268 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 67.4 t -59.85 -62.73 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.893 -0.594 . . . . 3.99 111.029 -177.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -161.04 -68.65 0.06 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.551 0.215 . . . . 2.78 111.494 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 10.7 t30 -64.7 -27.38 68.87 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.502 -0.317 . . . . 3.44 111.292 -176.508 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.637 ' CE2' ' HB2' ' A' ' 76' ' ' SER . 6.8 t80 -61.35 -38.89 88.57 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.87 0.367 . . . . 1.82 110.017 -179.625 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -70.87 -34.76 71.94 Favored 'General case' 0 CA--C 1.518 -0.254 0 CA-C-N 116.128 -0.487 . . . . 2.11 110.269 178.319 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -65.42 -44.58 86.92 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.913 -0.585 . . . . 4.28 109.785 177.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 55.5 ttp180 -63.33 -38.17 90.13 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.991 -0.549 . . . . 4.1 110.501 -177.529 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.48 ' HZ1' HD23 ' A' ' 14' ' ' LEU . 24.3 ttmm -71.07 -35.61 71.95 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.265 0.555 . . . . 2.82 110.247 177.456 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.418 ' O ' ' HB2' ' A' ' 90' ' ' HIS . 42.3 tt0 -70.1 -45.09 67.66 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.386 -0.824 . . . . 2.94 111.633 -178.488 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -64.46 -30.25 71.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.634 -0.257 . . . . 2.99 111.416 -175.698 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -62.43 -37.74 87.0 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.983 -0.377 . . . . 1.83 109.983 175.033 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . 0.418 ' HB2' ' O ' ' A' ' 87' ' ' GLU . 15.4 m-70 -61.38 -44.69 96.72 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.194 -0.457 . . . . 0.66 110.13 175.483 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 8.7 m -62.05 -38.84 90.28 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.779 -0.646 . . . . 1.39 111.015 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 66.8 tp -69.9 -49.46 51.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 1.22 110.65 -177.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 96.3 mt -63.87 -33.81 76.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 1.34 111.208 -176.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -69.02 -45.69 69.87 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.781 -0.368 . . . . 0.82 110.642 -179.562 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 76.3 tttt -59.52 -49.62 77.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.469 -0.332 . . . . 2.77 111.838 177.348 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 87.4 mt -59.36 -44.27 92.71 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.512 -0.313 . . . . 1.14 110.723 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 58.4 m -59.47 -45.56 91.3 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.693 0.282 . . . . 1.16 111.004 175.409 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -63.35 -47.22 83.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.15 -0.477 . . . . 3.1 111.166 -178.105 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.468 ' NE2' HD13 ' A' ' 32' ' ' LEU . 29.7 tt0 -62.18 -41.61 98.48 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.749 -0.659 . . . . 2.67 111.176 -176.801 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 72.2 mt -71.84 -41.77 67.73 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.39 -0.368 . . . . 1.16 110.961 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 24.1 tm0? -61.58 -44.4 97.08 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.461 -0.336 . . . . 2.34 110.2 -179.33 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -65.89 -42.16 95.08 Favored Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.572 -0.823 . . . . 0.51 111.997 177.426 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.456 ' O ' HG13 ' A' ' 107' ' ' ILE . 65.8 tp -65.73 -45.6 82.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.542 0.211 . . . . 1.33 111.214 -179.429 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -55.91 -47.37 77.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.243 -0.435 . . . . 1.11 111.258 -177.343 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 84.6 t -65.18 -35.52 75.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.989 0.423 . . . . 1.27 110.587 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 84.7 m -64.22 -42.11 96.73 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.718 -0.673 . . . . 1.27 111.091 178.382 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . 0.456 HG13 ' O ' ' A' ' 103' ' ' LEU . 71.3 mt -70.81 -40.92 77.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 1.31 111.263 -177.62 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 35.2 p -83.17 -10.62 58.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.157 0.503 . . . . 1.81 110.822 -176.601 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 25.6 mmm180 61.22 38.29 16.76 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-N 115.085 -0.962 . . . . 6.45 111.307 178.513 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -86.39 41.09 0.92 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.278 0.561 . . . . 6.0 110.731 -179.596 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -101.4 19.01 18.62 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.787 -0.642 . . . . 7.13 110.122 178.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 75.0 mt -73.81 -54.21 15.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.157 -0.474 . . . . 8.73 110.859 -175.555 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 12.6 p -80.92 -4.6 55.49 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.205 0.526 . . . . 9.67 111.057 -178.68 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -73.15 99.29 2.78 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 115.575 -0.739 . . . . 11.2 110.107 179.08 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 12.2 m -124.74 48.4 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.679 -0.691 . . . . 12.46 110.888 -177.462 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -80.67 70.38 3.03 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.922 -0.656 . . . . 13.58 112.174 -179.317 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -138.58 63.83 34.94 Favored Pre-proline 0 C--N 1.323 -0.546 0 O-C-N 122.883 -0.186 . . . . 16.1 111.351 -178.76 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 93.0 Cg_endo -93.54 16.89 1.15 Allowed 'Trans proline' 0 N--CA 1.455 -0.742 0 C-N-CA 122.554 2.169 . . . . 18.52 112.415 -179.194 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 26.4 m . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.542 -0.742 . . . . 20.33 110.199 -177.893 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.896 0 N-CA-C 111.776 -0.53 . . . . 16.34 111.776 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.9 Cg_exo -77.62 57.59 6.05 Favored 'Trans proline' 0 CA--C 1.53 0.319 0 C-N-CA 123.269 2.646 . . . . 16.69 112.603 179.713 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 25.9 ttt -95.75 -56.86 2.54 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.853 -0.425 . . . . 14.03 109.853 176.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 55.97 78.7 0.19 Allowed 'General case' 0 C--O 1.234 0.273 0 O-C-N 124.04 0.837 . . . . 12.86 111.522 178.324 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 23.9 ptp -81.21 123.47 28.49 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.897 -0.592 . . . . 12.51 110.409 178.553 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -114.75 130.41 56.84 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.75 -0.463 . . . . 10.37 109.75 177.592 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -71.75 90.99 1.1 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.244 0.545 . . . . 8.94 110.685 178.594 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 61.7 mtp180 -85.49 48.85 1.65 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.966 -0.561 . . . . 9.92 110.436 -178.6 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 83.5 mtt180 -91.59 -57.3 2.81 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.807 -0.633 . . . . 9.51 110.826 -178.538 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.473 ' OE1' ' HB3' ' A' ' 76' ' ' SER . 10.5 mm100 -79.53 55.83 2.05 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.851 -0.613 . . . . 7.54 110.649 -175.851 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.64 ' O ' ' HD3' ' A' ' 13' ' ' PRO . 94.1 mtt180 -62.92 134.88 56.9 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.624 -0.717 . . . . 7.69 109.672 178.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -90.48 103.23 6.33 Favored Pre-proline 0 C--N 1.323 -0.546 0 O-C-N 123.52 0.513 . . . . 2.19 111.628 -174.559 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.64 ' HD3' ' O ' ' A' ' 11' ' ' ARG . 16.8 Cg_exo -64.86 -39.67 24.56 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.791 2.327 . . . . 1.75 111.249 177.343 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 57.4 mt -60.75 -35.7 77.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.081 -0.963 . . . . 1.38 110.939 -178.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 9.9 tt0 -65.87 -39.31 90.57 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 116.627 -0.26 . . . . 3.13 110.992 179.689 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.89 -46.22 75.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.821 0.343 . . . . 1.28 110.778 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 57.0 tp -61.42 -37.21 82.69 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.887 -0.597 . . . . 1.67 111.065 174.744 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 30.3 ttm180 -59.53 -32.91 70.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.376 -0.375 . . . . 3.84 111.054 -179.562 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 20.1 mmm180 -59.16 -42.26 90.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.133 0.492 . . . . 4.35 110.039 174.305 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.59 ' HG3' HD22 ' A' ' 63' ' ' ASN . 32.0 tpt180 -70.92 -36.82 72.82 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.689 -0.687 . . . . 4.64 110.743 176.835 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 -64.13 -39.07 93.24 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-O 120.979 0.419 . . . . 1.34 110.58 175.447 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.531 ' O ' ' HG3' ' A' ' 26' ' ' GLN . 65.2 tt0 -62.1 -31.57 72.04 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.885 -0.598 . . . . 3.26 110.221 176.455 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -69.96 -38.22 76.04 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.585 -0.734 . . . . 2.14 109.154 179.422 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.444 ' O ' HG21 ' A' ' 28' ' ' VAL . 81.8 mt -68.99 -39.64 79.26 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.822 -0.626 . . . . 1.23 110.248 176.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.529 ' HZ1' ' HB3' ' A' ' 25' ' ' LYS . 4.6 mmmp? -57.19 -46.77 82.55 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-N 116.528 -0.306 . . . . 2.44 110.803 178.456 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.531 ' HG3' ' O ' ' A' ' 22' ' ' GLN . 26.1 mt-30 -59.53 -38.84 82.06 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.081 -0.508 . . . . 3.17 110.647 -179.606 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 -73.28 -35.62 66.2 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.058 -0.519 . . . . 1.91 111.412 -177.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.444 HG21 ' O ' ' A' ' 24' ' ' LEU . 70.2 t -68.92 -46.69 78.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-O 120.935 0.397 . . . . 1.15 110.132 -179.68 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -61.06 -36.05 78.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.961 -0.563 . . . . 1.21 110.359 177.018 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 66.6 m -64.82 -37.72 88.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.36 -0.382 . . . . 1.9 110.614 176.237 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 36.1 tp -64.22 -44.38 92.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 1.8 110.278 -179.749 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 96.0 mt -61.69 -38.39 87.66 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.038 -0.528 . . . . 1.39 110.472 177.398 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.582 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 50.9 m -65.14 -35.2 80.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.917 -0.583 . . . . 1.9 110.973 179.592 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -74.93 -39.92 61.11 Favored 'General case' 0 CA--C 1.52 -0.182 0 CA-C-O 121.037 0.446 . . . . 1.86 109.966 179.542 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 26.7 t -65.32 -11.14 38.82 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.749 -0.66 . . . . 1.94 110.962 179.341 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 25.7 tp60 -104.0 -11.13 17.58 Favored 'General case' 0 N--CA 1.449 -0.513 0 N-CA-C 109.595 -0.52 . . . . 3.55 109.595 -175.21 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.582 ' HG ' ' O ' ' A' ' 33' ' ' SER . 94.9 mt -76.32 135.77 39.57 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.669 -0.696 . . . . 1.43 110.629 -177.608 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 58.0 mttp -72.26 -29.86 64.31 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.408 -0.815 . . . . 4.11 110.444 179.618 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -70.36 -27.67 64.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.831 -0.622 . . . . 3.24 110.188 175.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -90.71 0.7 57.33 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.714 -0.676 . . . . 1.64 111.025 -177.755 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 29.4 tp -86.53 25.1 1.28 Allowed 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.801 0.81 . . . . 3.2 109.969 179.249 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -87.12 153.41 54.18 Favored Pre-proline 0 C--N 1.324 -0.522 0 CA-C-N 115.227 -0.897 . . . . 3.43 109.812 177.411 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_endo -54.48 -50.37 13.67 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.313 2.009 . . . . 2.0 113.913 -171.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 17.2 m120 -73.79 -30.94 63.03 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-O 120.59 0.233 . . . . 2.03 111.52 -171.62 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.452 ' O ' HG13 ' A' ' 49' ' ' ILE . 58.3 tptt -61.82 -32.24 72.54 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.669 -0.241 . . . . 2.52 110.561 178.683 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 83.5 mtm180 -59.47 -40.09 85.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.447 -0.342 . . . . 4.27 110.515 177.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -66.36 -38.38 87.46 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-O 121.036 0.446 . . . . 3.02 110.282 178.018 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 4.7 t60 -69.6 -38.26 77.21 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.737 -0.665 . . . . 1.15 110.228 -178.473 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.452 HG13 ' O ' ' A' ' 45' ' ' LYS . 74.4 mt -66.35 -46.04 87.99 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.445 -0.343 . . . . 1.37 110.4 178.712 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 81.2 t80 -54.57 -41.47 69.89 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.4 -0.364 . . . . 0.97 110.927 176.001 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 55.7 tp60 -69.64 -40.33 76.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.869 0.366 . . . . 1.98 110.457 178.568 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.46 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 27.2 tpt180 -63.48 -31.79 73.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.228 -0.442 . . . . 4.54 110.09 178.461 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 0.44 ' SG ' ' HB3' ' A' ' 104' ' ' ALA . 42.8 t -66.59 -45.54 78.9 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.629 -0.714 . . . . 1.09 109.919 178.109 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 57.9 mt -59.85 -41.33 85.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.971 -0.559 . . . . 1.17 111.06 178.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -61.81 -51.03 69.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.465 -0.334 . . . . 3.22 111.222 -179.668 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.46 ' HG ' ' O ' ' A' ' 52' ' ' ARG . 68.2 mt -60.6 -37.89 82.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 1.07 111.558 177.424 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 39.7 ttpt -64.25 -38.6 91.62 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.015 0.436 . . . . 2.42 110.097 179.295 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 24.6 tp60 -63.94 -39.49 94.28 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.728 -0.669 . . . . 2.95 110.297 176.029 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.78 -39.67 93.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.289 -0.414 . . . . 1.07 111.213 178.538 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.451 HG13 ' O ' ' A' ' 56' ' ' LEU . 75.9 mt -64.25 -43.6 97.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.997 0.427 . . . . 1.16 110.348 177.88 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -64.51 -36.09 83.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.784 -0.644 . . . . 0.64 110.132 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -62.39 -45.9 91.05 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.843 -0.617 . . . . 2.28 110.292 176.461 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . 0.59 HD22 ' HG3' ' A' ' 20' ' ' ARG . 6.6 m-20 -63.74 -39.22 93.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.915 -0.584 . . . . 1.6 110.376 176.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 83.4 tttt -59.57 -41.24 89.72 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.93 -0.577 . . . . 2.04 110.3 178.138 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 9.7 m120 -66.89 -46.23 75.54 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.324 -0.398 . . . . 1.94 110.879 176.035 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -61.17 -39.11 88.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.107 -0.497 . . . . 1.16 110.842 179.663 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 50.6 tp -69.12 -40.77 78.1 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.894 -0.594 . . . . 1.26 111.069 179.18 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -60.2 -33.26 71.99 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.089 0.471 . . . . 2.3 110.827 176.541 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 25.8 tptp -91.84 -0.11 57.5 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.356 0.598 . . . . 3.1 110.414 179.405 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 21.6 tp -85.09 64.52 8.73 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.705 0.764 . . . . 2.65 110.966 -175.339 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 50.2 m -141.41 109.85 5.97 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.301 -0.863 . . . . 3.15 109.099 174.624 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 49.0 pttt -100.5 112.04 24.36 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.076 0.465 . . . . 6.43 111.248 -174.215 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -79.77 -21.7 44.08 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.078 -0.51 . . . . 5.15 111.812 -179.006 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -79.37 -4.78 52.61 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.782 0.325 . . . . 6.87 111.102 -176.589 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -128.42 161.37 29.65 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.052 -0.522 . . . . 6.68 110.148 179.044 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.473 ' HB3' ' OE1' ' A' ' 10' ' ' GLN . 40.1 t -81.05 135.55 35.84 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.258 -0.428 . . . . 5.08 110.198 -179.733 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -126.01 118.79 23.83 Favored Pre-proline 0 C--N 1.325 -0.491 0 CA-C-N 116.014 -0.539 . . . . 5.04 110.135 -179.128 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 26.3 Cg_exo -63.6 93.18 0.17 Allowed 'Trans proline' 0 C--N 1.343 0.263 0 C-N-CA 122.686 2.257 . . . . 4.46 111.802 178.414 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 33.9 m -61.05 167.68 0.65 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.396 0 CA-C-N 116.382 -0.372 . . . . 3.99 111.837 -176.145 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . 71.99 -61.32 0.5 Allowed 'General case' 0 N--CA 1.464 0.261 0 C-N-CA 123.721 0.808 . . . . 2.78 110.676 -173.508 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 18.1 m120 -66.53 -50.48 63.05 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.961 -0.385 . . . . 3.44 109.961 176.464 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 31.9 t80 -60.22 -37.84 81.55 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 115.909 -0.587 . . . . 1.82 109.948 177.212 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -67.34 -46.37 73.61 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.919 -0.582 . . . . 2.11 110.799 -176.214 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 26.9 mm-40 -70.72 -40.73 72.63 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.251 -0.431 . . . . 4.28 111.107 -179.74 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 24.3 tpp180 -63.1 -36.52 83.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.185 -0.462 . . . . 4.1 110.178 -179.445 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 36.0 ttmt -63.98 -38.69 92.0 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.797 -0.638 . . . . 2.82 110.747 177.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 44.4 mm-40 -71.89 -38.54 69.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 2.94 110.801 -179.707 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -59.61 -38.56 81.6 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.042 0.449 . . . . 2.99 110.286 176.712 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -65.86 -37.19 85.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.668 -0.696 . . . . 1.83 109.458 178.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 9.0 m-70 -63.83 -42.74 97.56 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 115.886 -0.597 . . . . 0.66 110.337 175.105 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 22.5 m -63.12 -34.95 78.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 1.39 111.558 -177.507 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.461 ' O ' ' HG ' ' A' ' 96' ' ' LEU . 65.2 tp -69.25 -51.42 37.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.824 0.345 . . . . 1.22 110.354 -179.178 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 95.3 mt -66.52 -32.88 74.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.109 -0.496 . . . . 1.34 110.787 -179.086 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -64.95 -44.98 87.65 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.972 -0.558 . . . . 0.82 111.113 -178.449 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 61.4 tttp -66.98 -39.9 87.3 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.644 0.259 . . . . 2.77 110.797 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.461 ' HG ' ' O ' ' A' ' 92' ' ' LEU . 86.5 mt -58.49 -40.95 84.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.403 -0.362 . . . . 1.14 110.288 176.003 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 31.1 m -58.98 -46.22 88.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.379 -0.373 . . . . 1.16 110.813 175.266 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -61.41 -47.09 87.37 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 116.167 -0.47 . . . . 3.1 111.255 -177.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -65.43 -46.02 81.57 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.797 -0.638 . . . . 2.67 111.443 -176.176 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 59.6 mt -64.71 -45.88 84.71 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.739 0.304 . . . . 1.16 110.655 -179.331 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 21.6 tm0? -62.63 -38.64 91.03 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.84 -0.618 . . . . 2.34 110.356 179.558 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -68.01 -45.61 71.63 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.925 -0.655 . . . . 0.51 111.936 178.154 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.438 ' O ' HG13 ' A' ' 107' ' ' ILE . 61.3 tp -65.27 -40.55 94.07 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.681 0.277 . . . . 1.33 110.73 -179.367 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.44 ' HB3' ' SG ' ' A' ' 53' ' ' CYS . . . -55.26 -43.26 74.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.071 -0.513 . . . . 1.11 110.94 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 84.7 t -67.35 -36.15 75.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 115.805 -0.634 . . . . 1.27 110.926 179.482 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 26.3 m -64.95 -39.34 93.35 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.004 0.43 . . . . 1.27 110.963 178.58 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . 0.438 HG13 ' O ' ' A' ' 103' ' ' LEU . 67.5 mt -70.28 -40.3 77.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 1.31 111.198 -178.351 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 8.3 p -83.86 -17.52 40.6 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.174 -0.466 . . . . 1.81 110.669 -177.494 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 43.8 mtp180 65.69 101.67 0.04 OUTLIER 'General case' 0 C--O 1.237 0.419 0 CA-C-N 115.304 -0.862 . . . . 6.45 112.368 176.33 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 17.1 tp10 -80.72 69.38 7.23 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.664 0.745 . . . . 6.0 109.628 176.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 17.4 m120 -121.26 44.36 2.55 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.34 -0.845 . . . . 7.13 110.265 -177.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 72.1 mt -75.4 -61.21 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 121.203 0.525 . . . . 8.73 109.917 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 2.3 p -122.81 -35.19 3.08 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.641 -0.709 . . . . 9.67 110.482 177.705 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 69.53 -60.6 0.46 Allowed 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 115.303 -0.862 . . . . 11.2 112.574 174.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 17.4 m -108.75 30.85 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-O 121.071 0.462 . . . . 12.46 111.124 -177.098 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 71.32 -128.62 16.21 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.833 -0.698 . . . . 13.58 111.892 -177.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -134.92 69.83 70.87 Favored Pre-proline 0 C--N 1.325 -0.493 0 CA-C-O 120.784 0.326 . . . . 16.1 111.397 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 92.0 Cg_endo -84.42 -14.42 6.84 Favored 'Trans proline' 0 N--CA 1.459 -0.549 0 C-N-CA 122.252 1.968 . . . . 18.52 111.644 176.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 17.8 p . . . . . 0 C--O 1.246 0.92 0 CA-C-N 115.781 -0.645 . . . . 20.33 110.598 -179.462 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.446 ' HA ' ' HD3' ' A' ' 13' ' ' PRO . 68.3 m-20 . . . . . 0 C--O 1.235 0.314 0 CA-C-O 121.081 0.467 . . . . 2.19 111.361 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.446 ' HD3' ' HA ' ' A' ' 12' ' ' ASP . 38.2 Cg_exo -56.53 -28.69 75.25 Favored 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 123.314 2.676 . . . . 1.45 111.81 177.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 73.2 mt -57.55 -41.7 81.51 Favored 'General case' 0 C--O 1.225 -0.204 0 CA-C-N 115.929 -0.578 . . . . 0.85 110.853 178.022 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 53.6 tp60 -68.46 -44.96 73.7 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.638 0.256 . . . . 2.75 110.814 -178.86 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.13 -45.18 94.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.194 0.521 . . . . 0.71 110.683 177.847 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 42.7 tp -65.99 -42.27 90.02 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.514 -0.766 . . . . 1.09 110.998 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 67.2 mtt180 -59.3 -37.47 77.8 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 120.497 0.189 . . . . 3.33 111.109 179.124 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 57.6 ttp180 -59.26 -46.0 89.69 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.224 0.535 . . . . 3.76 109.86 176.245 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 67.1 ttt180 -68.67 -38.97 80.8 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.606 -0.725 . . . . 4.04 111.156 177.691 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 90.0 m-20 -62.71 -39.44 94.04 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 120.643 0.258 . . . . 1.34 110.911 178.881 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.436 ' O ' ' HG3' ' A' ' 26' ' ' GLN . 47.6 tp60 -64.01 -32.88 74.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.163 0.506 . . . . 2.79 109.865 177.921 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -71.96 -38.46 69.75 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.553 -0.749 . . . . 2.14 109.787 179.534 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.402 ' O ' HG23 ' A' ' 28' ' ' VAL . 82.7 mt -62.3 -43.5 98.69 Favored 'General case' 0 CA--C 1.518 -0.285 0 CA-C-N 116.102 -0.499 . . . . 0.68 110.075 175.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 55.7 tttm -59.02 -42.74 90.87 Favored 'General case' 0 N--CA 1.455 -0.181 0 CA-C-N 116.381 -0.372 . . . . 1.9 110.697 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.436 ' HG3' ' O ' ' A' ' 22' ' ' GLN . 79.6 mt-30 -61.37 -35.35 77.23 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.936 0.398 . . . . 2.6 110.682 179.513 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 -72.17 -34.66 68.62 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.055 -0.52 . . . . 1.37 110.566 178.101 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.402 HG23 ' O ' ' A' ' 24' ' ' LEU . 69.4 t -68.05 -46.1 82.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-O 120.884 0.373 . . . . 0.4 110.051 178.232 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 41.7 m-20 -58.68 -35.77 73.12 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.034 -0.53 . . . . 1.21 110.331 176.261 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 13.5 t -69.62 -37.53 76.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.721 -0.672 . . . . 1.3 110.439 178.841 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.41 HD11 HG23 ' A' ' 49' ' ' ILE . 62.3 tp -65.87 -44.94 83.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.013 0.435 . . . . 1.14 109.924 178.2 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.499 ' HA ' ' OG ' ' A' ' 35' ' ' SER . 95.5 mt -60.39 -32.71 71.58 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.602 -0.726 . . . . 0.67 110.626 175.822 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.592 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 32.5 t -61.89 -32.66 73.05 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.309 -0.405 . . . . 1.29 110.461 176.601 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 36.9 mm-40 -73.24 -46.71 48.56 Favored 'General case' 0 C--O 1.227 -0.126 0 N-CA-C 109.886 -0.412 . . . . 1.86 109.886 176.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.499 ' OG ' ' HA ' ' A' ' 32' ' ' LEU . 26.7 p -65.35 -8.72 19.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.07 -0.514 . . . . 1.33 111.605 179.764 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 22.0 tp60 -100.26 -8.79 23.08 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.225 0.536 . . . . 2.91 109.674 -175.755 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.592 ' HG ' ' O ' ' A' ' 33' ' ' SER . 84.3 mt -83.44 143.28 30.37 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.708 -0.678 . . . . 0.95 110.445 -177.372 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 37.5 mtmm -71.89 -28.88 63.8 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.985 -0.552 . . . . 3.61 110.607 176.613 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -68.28 -18.52 64.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.338 0.589 . . . . 3.24 110.182 176.55 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.412 ' HA ' ' HG2' ' A' ' 45' ' ' LYS . . . -77.08 0.02 22.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.111 -0.495 . . . . 1.2 111.146 179.508 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 44.9 tp -71.59 -14.26 62.02 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.883 -0.599 . . . . 2.76 110.064 174.582 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -57.13 126.08 72.48 Favored Pre-proline 0 C--O 1.233 0.232 0 CA-C-N 115.776 -0.647 . . . . 3.43 110.004 175.789 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -51.66 -39.62 65.91 Favored 'Trans proline' 0 C--N 1.352 0.721 0 C-N-CA 123.269 2.646 . . . . 1.63 113.093 -178.874 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -68.43 -38.56 81.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.564 0.221 . . . . 1.75 111.417 -178.856 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.412 ' HG2' ' HA ' ' A' ' 40' ' ' ALA . 4.3 tppp? -62.24 -31.12 71.63 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.503 -0.317 . . . . 1.99 110.967 -177.51 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 24.1 mmm180 -57.89 -42.61 84.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.716 0.293 . . . . 3.72 110.533 -179.155 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -70.11 -33.72 72.21 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.098 0.475 . . . . 2.64 110.417 179.408 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 47.3 t60 -69.69 -38.82 77.15 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.725 -0.67 . . . . 1.02 110.358 -179.223 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.41 HG23 HD11 ' A' ' 31' ' ' LEU . 79.8 mt -67.78 -42.66 86.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 N-CA-C 109.593 -0.521 . . . . 0.61 109.593 175.831 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.44 ' CE2' ' HB2' ' A' ' 108' ' ' SER . 38.5 t80 -54.46 -41.15 69.15 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 115.471 -0.786 . . . . 0.46 111.124 176.565 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 51.6 tt0 -67.36 -45.94 74.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.819 0.342 . . . . 1.48 110.742 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.437 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 95.2 mtt180 -61.41 -34.23 75.03 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.221 -0.445 . . . . 3.69 110.911 178.524 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.478 ' SG ' ' HB2' ' A' ' 104' ' ' ALA . 48.6 t -67.78 -45.31 75.18 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.619 -0.719 . . . . 0.54 110.027 -177.872 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 63.9 mt -61.59 -40.79 87.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.01 -0.541 . . . . 0.44 111.029 178.657 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -61.82 -50.71 71.2 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.294 -0.412 . . . . 2.54 111.274 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.437 ' HG ' ' O ' ' A' ' 52' ' ' ARG . 73.1 mt -62.17 -40.42 95.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.62 -0.264 . . . . 0.4 111.592 177.618 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 65.8 tttp -62.32 -39.68 93.85 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.013 0.435 . . . . 1.78 110.168 179.562 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 55.7 tp60 -64.19 -37.27 86.87 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.821 -0.627 . . . . 2.41 110.55 176.062 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -68.92 -43.5 75.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.26 111.052 -179.771 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.424 HG13 ' O ' ' A' ' 56' ' ' LEU . 70.8 mt -65.04 -41.72 92.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.866 0.365 . . . . 0.36 110.642 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -63.95 -36.5 84.15 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.226 -0.443 . . . . 0.64 110.039 178.753 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -62.27 -45.29 93.95 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.506 -0.77 . . . . 2.28 110.396 176.898 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -64.86 -38.44 91.0 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.291 -0.413 . . . . 1.07 110.623 176.853 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -62.11 -39.22 91.8 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.982 -0.554 . . . . 1.48 110.027 177.342 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 89.5 m-20 -67.14 -42.5 84.31 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.21 -0.45 . . . . 1.35 110.553 176.778 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -62.38 -45.77 91.64 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.969 -0.56 . . . . 0.46 110.462 177.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 49.4 tp -60.81 -40.02 91.15 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.829 -0.623 . . . . 0.57 111.092 179.758 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -68.15 -33.12 73.89 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.462 -0.335 . . . . 1.8 111.098 178.011 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 55.6 tptt . . . . . 0 C--N 1.329 -0.301 0 CA-C-O 120.939 0.4 . . . . 2.67 110.401 -179.897 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 31.3 t80 . . . . . 0 CA--C 1.53 0.188 0 N-CA-C 109.785 -0.45 . . . . 1.57 109.785 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 91.2 m-20 -72.74 -30.06 63.86 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.233 -0.44 . . . . 1.92 110.886 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 60.0 tp60 -65.46 -50.47 65.24 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.848 -0.615 . . . . 3.57 110.485 177.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -63.48 -36.74 84.77 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.3 -0.409 . . . . 3.59 110.472 179.722 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 20.3 ttmm -61.12 -41.96 97.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.791 -0.64 . . . . 2.26 110.909 178.278 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.43 ' O ' ' HB2' ' A' ' 90' ' ' HIS . 5.0 tp10 -72.5 -42.16 65.14 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.437 -0.347 . . . . 2.94 111.045 -179.448 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -63.62 -31.17 72.26 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.464 -0.334 . . . . 2.99 110.888 179.321 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 23.1 tp10 -66.6 -36.24 82.15 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.688 -0.486 . . . . 1.83 109.688 178.243 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' HIS . . . . . 0.43 ' HB2' ' O ' ' A' ' 87' ' ' GLU . 9.2 m-70 -58.57 -41.04 84.78 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 115.885 -0.598 . . . . 0.58 110.287 174.157 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 20.0 m -62.51 -43.19 99.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.933 -0.576 . . . . 0.79 111.564 -177.203 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 57.7 tp -70.16 -50.92 35.51 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 116.439 -0.346 . . . . 0.53 110.788 -177.477 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 97.5 mt -63.37 -33.59 75.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.052 -0.522 . . . . 0.69 110.928 -177.766 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -68.03 -45.18 74.68 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.431 -0.349 . . . . 0.82 110.794 -177.56 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 40.4 ttpt -60.67 -43.99 97.0 Favored 'General case' 0 CA--C 1.519 -0.215 0 C-N-CA 121.069 -0.252 . . . . 2.25 110.702 178.02 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 92.8 mt -59.53 -40.63 87.82 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.222 -0.444 . . . . 0.4 110.513 176.424 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 28.2 m -58.17 -48.52 80.04 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.675 0.274 . . . . 0.44 110.945 174.646 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' GLN . . . . . 0.415 ' HA ' ' OE1' ' A' ' 98' ' ' GLN . 13.0 mm-40 -68.56 -35.41 77.37 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.323 -0.398 . . . . 2.53 111.139 -178.474 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -59.23 -47.28 85.92 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.069 -0.514 . . . . 2.3 110.137 178.048 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.429 ' HB3' ' SG ' ' A' ' 53' ' ' CYS . 87.9 mt -71.11 -45.19 64.13 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.686 -0.688 . . . . 0.38 110.834 179.546 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 22.7 tm0? -60.86 -44.47 96.98 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.135 -0.484 . . . . 2.34 110.717 -176.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -64.8 -43.58 95.97 Favored Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 120.705 -0.76 . . . . 0.46 111.756 178.491 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.41 ' O ' HG13 ' A' ' 107' ' ' ILE . 58.0 tp -65.61 -44.18 87.34 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.596 0.236 . . . . 0.66 110.605 179.594 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.478 ' HB2' ' SG ' ' A' ' 53' ' ' CYS . . . -58.13 -46.93 84.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.474 . . . . 0.45 111.353 -177.701 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 68.9 t -65.18 -40.31 88.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 120.949 0.404 . . . . 0.68 110.539 179.215 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 89.9 m -61.06 -41.61 96.94 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.93 -0.577 . . . . 0.68 110.96 179.069 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.41 HG13 ' O ' ' A' ' 103' ' ' LEU . 72.6 mt -74.09 -37.34 46.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 121.231 0.539 . . . . 0.83 110.668 178.715 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 108' ' ' SER . . . . . 0.44 ' HB2' ' CE2' ' A' ' 50' ' ' TYR . 21.7 t -65.84 -23.34 66.65 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.059 -0.519 . . . . 1.19 110.721 -178.079 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 109' ' ' ARG . . . . . 0.435 ' HA ' ' HD2' ' A' ' 109' ' ' ARG . 26.2 tpt180 . . . . . 0 N--CA 1.452 -0.325 0 CA-C-O 121.445 0.64 . . . . 5.77 110.411 178.711 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 . . . . . 0 N--CA 1.452 -0.361 0 N-CA-C 109.495 -0.557 . . . . 2.19 109.495 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -58.41 -38.49 90.08 Favored 'Trans proline' 0 C--N 1.349 0.581 0 C-N-CA 122.835 2.357 . . . . 1.45 112.402 -178.148 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.481 ' O ' ' HB2' ' A' ' 18' ' ' ARG . 66.0 mt -67.23 -32.8 74.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.43 -0.35 . . . . 0.85 110.074 -179.492 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -74.5 -41.64 60.32 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.245 -0.434 . . . . 2.75 111.129 178.5 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.78 -45.73 88.45 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.845 0.355 . . . . 0.71 110.32 176.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 53.8 tp -65.94 -35.06 79.58 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.94 -0.573 . . . . 1.09 110.756 177.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.481 ' HB2' ' O ' ' A' ' 14' ' ' LEU . 57.4 ttt180 -57.19 -36.24 70.59 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.362 -0.381 . . . . 3.33 110.737 -178.52 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 41.9 ttp180 -64.09 -44.48 92.22 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.071 0.462 . . . . 3.76 110.189 176.658 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 73.0 ttt180 -70.17 -35.32 73.91 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.715 -0.675 . . . . 4.04 110.615 179.391 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 92.7 m-20 -63.71 -41.66 98.07 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 120.848 0.356 . . . . 1.34 110.334 175.779 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -64.27 -32.43 74.02 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.098 -0.501 . . . . 2.79 110.444 178.441 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 17.3 tp10 -62.58 -45.64 92.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.244 0.545 . . . . 2.14 110.044 176.865 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 84.7 mt -67.27 -41.93 84.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.798 -0.637 . . . . 0.68 110.487 178.028 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 28.3 ttpp -60.45 -38.97 85.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.815 -0.629 . . . . 1.9 111.163 -177.792 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 56.2 tt0 -61.39 -45.0 96.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.376 0.607 . . . . 2.6 110.341 178.569 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 -61.91 -42.79 99.5 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.141 -0.936 . . . . 1.37 110.815 178.507 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 75.6 t -57.51 -49.11 81.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.099 -0.5 . . . . 0.4 111.438 176.401 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -63.49 -38.95 93.09 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 120.596 0.236 . . . . 1.21 111.238 -179.082 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 29.6 t -63.31 -35.87 81.8 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.099 0.476 . . . . 1.3 110.389 178.653 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.507 HD11 HG23 ' A' ' 49' ' ' ILE . 38.2 tp -70.33 -45.6 65.85 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.031 -0.531 . . . . 1.14 110.133 -179.71 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 94.4 mt -60.6 -34.6 74.45 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.491 -0.777 . . . . 0.67 111.118 178.442 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 32.3 t -67.89 -46.73 70.8 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.354 -0.384 . . . . 1.29 110.432 179.341 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -66.64 -27.79 67.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.907 0.384 . . . . 1.86 111.001 179.063 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 32.4 t -62.14 -23.98 66.89 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.876 -0.602 . . . . 1.33 111.874 179.2 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 58.3 tp60 -89.41 -17.25 29.14 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.022 0.439 . . . . 2.91 110.588 -177.116 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 93.9 mt -66.5 130.0 41.73 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.835 -0.621 . . . . 0.95 110.716 -176.396 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 22.1 pttp -67.94 -28.15 67.23 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.854 -0.612 . . . . 3.61 110.595 179.764 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -67.7 -20.17 65.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 3.24 110.901 175.541 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -86.46 0.8 53.41 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.147 -0.479 . . . . 1.2 111.404 -177.731 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 61.5 tp -68.15 -15.78 63.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.114 -0.494 . . . . 2.76 110.654 178.1 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.465 ' OE1' ' HD2' ' A' ' 43' ' ' PRO . 16.6 tp10 -51.06 121.09 15.1 Favored Pre-proline 0 C--N 1.331 -0.228 0 CA-C-N 115.754 -0.657 . . . . 3.43 110.168 174.551 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.465 ' HD2' ' OE1' ' A' ' 42' ' ' GLU . 76.9 Cg_exo -51.32 -32.95 43.65 Favored 'Trans proline' 0 C--N 1.35 0.627 0 C-N-CA 123.193 2.595 . . . . 1.63 113.45 -178.791 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 -72.68 -33.29 66.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.178 0.513 . . . . 1.75 110.137 178.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 22.5 tptm -76.35 -36.12 58.37 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.87 -0.604 . . . . 1.99 109.804 177.15 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.428 ' HG3' ' O ' ' A' ' 42' ' ' GLU . 19.7 mtm180 -61.77 -42.6 99.19 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.478 -0.328 . . . . 3.72 110.331 177.397 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 -65.69 -35.61 81.25 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.92 0.391 . . . . 2.64 110.629 175.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.432 ' O ' ' HG2' ' A' ' 52' ' ' ARG . 17.5 t60 -66.23 -40.26 90.13 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.891 -0.595 . . . . 1.02 109.716 178.409 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.507 HG23 HD11 ' A' ' 31' ' ' LEU . 79.1 mt -67.02 -44.02 88.62 Favored 'Isoleucine or valine' 0 C--O 1.233 0.224 0 CA-C-N 116.03 -0.532 . . . . 0.61 110.381 176.79 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 59.5 t80 -58.87 -41.1 86.25 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.175 -0.466 . . . . 0.46 110.491 177.696 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 49.5 tp60 -67.76 -38.83 83.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.074 -0.512 . . . . 1.48 110.458 -179.736 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.531 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 28.4 mmt180 -62.99 -40.23 97.12 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.391 -0.368 . . . . 3.69 110.447 177.005 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.668 ' SG ' ' HB3' ' A' ' 100' ' ' LEU . 46.4 t -57.83 -40.42 79.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.483 -0.326 . . . . 0.54 111.054 175.903 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 64.5 mt -71.04 -40.06 75.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 121.416 0.627 . . . . 0.44 110.039 179.099 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 49.8 tt0 -60.99 -46.87 88.99 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.249 -0.887 . . . . 2.54 111.159 178.861 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.531 ' HG ' ' O ' ' A' ' 52' ' ' ARG . 77.2 mt -70.4 -34.87 73.05 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.403 -0.362 . . . . 0.4 110.49 -177.839 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 23.1 ttmm -57.3 -38.63 74.28 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.062 0.458 . . . . 1.78 110.248 177.599 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 -72.0 -39.59 69.13 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.702 -0.681 . . . . 2.41 110.344 179.603 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.71 -42.14 91.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.57 -0.741 . . . . 0.26 111.232 179.224 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.419 HG13 ' O ' ' A' ' 56' ' ' LEU . 86.7 mt -65.47 -41.21 90.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 121.067 0.461 . . . . 0.36 110.119 178.129 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -59.72 -36.59 76.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.656 -0.702 . . . . 0.64 110.341 177.075 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -62.25 -45.86 91.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.74 -0.664 . . . . 2.28 110.551 179.611 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -63.61 -43.5 96.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.347 -0.388 . . . . 1.07 110.522 177.524 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -55.85 -41.27 74.08 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.752 -0.658 . . . . 1.48 110.82 176.889 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -69.77 -41.96 74.47 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.192 -0.458 . . . . 1.35 110.979 178.26 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.13 -45.93 89.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.033 0.444 . . . . 0.46 110.517 177.643 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 46.0 tp -63.1 -29.19 70.61 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.399 -0.819 . . . . 0.57 111.135 178.608 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 53.1 tt0 -76.24 -23.5 54.52 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.049 -0.523 . . . . 1.8 109.905 -177.611 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 62.0 tttm . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.064 -0.516 . . . . 2.67 109.865 176.304 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 26.4 t80 . . . . . 0 C--O 1.231 0.118 0 N-CA-C 109.508 -0.553 . . . . 1.57 109.508 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 92.7 m-20 -70.93 -35.71 72.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.985 -0.552 . . . . 1.92 110.971 -178.903 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' GLN . . . . . 0.41 ' HA ' ' OE1' ' A' ' 84' ' ' GLN . 6.9 tp60 -70.65 -50.21 39.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.143 -0.48 . . . . 3.57 110.972 179.812 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.467 ' O ' ' HG2' ' A' ' 89' ' ' GLU . 41.3 ttt180 -64.68 -28.32 69.53 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.877 0.37 . . . . 3.59 110.465 -179.446 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 29.5 ttmt -56.81 -40.68 76.43 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.971 -0.558 . . . . 2.26 110.358 179.621 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.407 ' O ' ' HB2' ' A' ' 90' ' ' HIS . 25.9 mm-40 -72.09 -33.39 67.84 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.599 -0.728 . . . . 2.94 110.676 178.566 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -65.63 -38.09 88.4 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.266 -0.425 . . . . 2.99 110.691 176.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.467 ' HG2' ' O ' ' A' ' 85' ' ' ARG . 5.4 mm-40 -65.54 -36.13 82.89 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.828 -0.434 . . . . 1.83 109.828 176.206 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' HIS . . . . . 0.407 ' HB2' ' O ' ' A' ' 87' ' ' GLU . 18.5 m80 -58.29 -45.18 88.42 Favored 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 109.625 -0.509 . . . . 0.58 109.625 171.907 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 30.1 m -62.31 -42.69 99.58 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 115.244 -0.889 . . . . 0.79 111.104 -177.556 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 66.7 tp -57.15 -50.35 73.1 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 116.671 -0.241 . . . . 0.53 111.636 177.553 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 95.1 mt -64.28 -38.22 90.28 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.397 0.618 . . . . 0.69 110.438 -179.162 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -67.57 -28.16 67.54 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.375 -0.829 . . . . 0.82 110.523 177.391 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 63.1 tttp -75.59 -41.84 53.5 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.08 -0.711 . . . . 2.25 109.08 -175.875 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 81.8 mt -65.65 -35.26 80.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.284 -0.871 . . . . 0.4 109.993 178.626 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 62.4 m -67.39 -38.94 85.48 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 115.832 -0.622 . . . . 0.44 109.721 179.052 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 61.3 tt0 -62.09 -43.58 98.53 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.698 -0.683 . . . . 2.53 111.052 179.347 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 12.4 mm100 -61.46 -41.04 96.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.387 -0.369 . . . . 2.3 110.906 -179.621 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.668 ' HB3' ' SG ' ' A' ' 53' ' ' CYS . 92.9 mt -71.35 -35.47 71.17 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.049 -0.523 . . . . 0.38 110.674 178.327 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 22.5 tm0? -64.91 -31.89 73.34 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.507 -0.769 . . . . 2.34 110.759 -178.248 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -73.18 -39.86 51.59 Favored Glycine 0 N--CA 1.449 -0.498 0 N-CA-C 110.429 -1.068 . . . . 0.46 110.429 -178.857 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.418 ' O ' HG13 ' A' ' 107' ' ' ILE . 60.7 tp -70.73 -44.2 67.34 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 114.807 -0.697 . . . . 0.66 110.786 179.154 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.498 ' HB2' ' SG ' ' A' ' 53' ' ' CYS . . . -55.25 -46.1 76.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.017 -0.538 . . . . 0.45 111.705 -176.076 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 88.1 t -65.39 -39.33 84.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-O 121.057 0.456 . . . . 0.68 110.719 179.367 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 91.4 m -65.39 -34.88 79.34 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.04 -0.527 . . . . 0.68 111.275 179.585 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.418 HG13 ' O ' ' A' ' 103' ' ' LEU . 66.3 mt -79.65 -27.86 12.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.786 0.327 . . . . 0.83 111.528 179.698 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 9.4 p -86.5 -20.28 28.28 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.377 0.608 . . . . 1.19 109.83 -174.869 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 26.3 ttm180 . . . . . 0 N--CA 1.449 -0.51 0 CA-C-N 115.5 -0.773 . . . . 5.77 109.226 173.815 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 . . . . . 0 CA--C 1.519 -0.227 0 CA-C-O 120.74 0.305 . . . . 2.19 110.45 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_exo -60.63 -29.45 88.47 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.526 2.151 . . . . 1.45 111.589 178.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 95.9 mt -63.27 -37.54 87.66 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.885 -0.598 . . . . 0.85 110.539 176.888 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 47.3 tt0 -67.38 -42.51 83.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 2.75 110.557 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.13 -44.32 80.18 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.093 0.473 . . . . 0.71 110.601 177.269 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.458 HD21 ' HB2' ' A' ' 67' ' ' LEU . 53.8 tp -63.28 -39.53 94.83 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.721 -0.672 . . . . 1.09 111.647 179.807 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 26.6 ttm180 -59.09 -33.14 70.47 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 120.795 0.331 . . . . 3.33 110.797 178.837 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 71.8 ttt180 -66.91 -44.38 80.89 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.865 -0.42 . . . . 3.76 109.865 174.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.503 ' HG3' HD21 ' A' ' 63' ' ' ASN . 30.2 tpt180 -64.84 -36.98 86.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.951 -0.568 . . . . 4.04 110.221 179.08 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 -65.59 -37.87 87.89 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.34 -0.391 . . . . 1.34 110.674 175.369 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 48.4 tt0 -66.46 -30.16 70.44 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.433 -0.349 . . . . 2.79 110.37 178.454 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.452 ' O ' ' HG3' ' A' ' 27' ' ' GLN . 43.4 mt-10 -65.64 -46.15 80.33 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.243 -0.651 . . . . 2.14 109.243 178.025 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.423 ' O ' HG23 ' A' ' 28' ' ' VAL . 65.0 mt -66.7 -35.42 80.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.559 -0.746 . . . . 0.68 110.318 178.065 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -58.21 -42.9 87.22 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.211 -0.449 . . . . 1.9 110.09 177.662 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -67.86 -34.96 77.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.045 -0.525 . . . . 2.6 110.587 179.364 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.452 ' HG3' ' O ' ' A' ' 23' ' ' GLU . 76.4 mt-30 -68.7 -34.72 76.14 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.885 -0.598 . . . . 1.37 110.17 -179.451 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.423 HG23 ' O ' ' A' ' 24' ' ' LEU . 77.7 t -68.97 -46.11 79.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 115.948 -0.569 . . . . 0.4 110.283 176.733 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -59.91 -38.66 82.92 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 116.324 -0.398 . . . . 1.21 110.522 177.425 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 22.9 t -62.85 -43.55 98.49 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.174 -0.466 . . . . 1.3 109.992 177.757 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.406 HD22 HD12 ' A' ' 56' ' ' LEU . 61.8 tp -58.75 -48.49 81.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.864 0.364 . . . . 1.14 110.26 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 96.7 mt -60.73 -33.56 73.1 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.603 -0.726 . . . . 0.67 111.03 -179.626 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 23.1 m -67.55 -41.59 84.01 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.266 -0.425 . . . . 1.29 110.93 179.111 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -77.16 -26.13 52.69 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.058 0.456 . . . . 1.86 111.254 -178.586 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 53.7 m -71.56 -12.74 61.52 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 112.335 0.494 . . . . 1.33 112.335 -174.008 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.504 ' HA ' ' OE1' ' A' ' 36' ' ' GLN . 11.7 mm-40 -104.63 8.91 35.37 Favored 'General case' 0 C--N 1.327 -0.377 0 O-C-N 122.078 -0.389 . . . . 2.91 110.96 -177.323 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 91.2 mt -76.33 141.31 41.61 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.398 -0.364 . . . . 0.95 110.394 -179.734 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -71.73 -30.69 65.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 3.61 110.239 177.88 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -70.43 -17.68 63.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.992 -0.549 . . . . 3.24 110.727 177.612 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.555 ' HB1' HD11 ' A' ' 49' ' ' ILE . . . -79.17 -0.17 30.78 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.168 -0.469 . . . . 1.2 110.823 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 43.2 tp -75.0 -15.31 60.66 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.922 -0.581 . . . . 2.76 110.453 177.049 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 30.0 mm-40 -63.33 138.69 97.42 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.205 -0.452 . . . . 3.43 110.674 -179.139 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 10.5 Cg_endo -52.67 -48.75 20.34 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.359 2.039 . . . . 1.63 113.436 -171.767 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 56.3 m-80 -72.75 -44.81 61.16 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.625 0.25 . . . . 1.75 110.848 -176.847 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 69.9 tttt -64.97 -31.84 73.27 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.786 0.327 . . . . 1.99 110.848 -179.51 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 26.8 ttm180 -61.64 -40.08 93.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.127 0.489 . . . . 3.72 110.023 175.368 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 21.3 mm-40 -68.78 -31.0 69.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.93 -0.577 . . . . 2.64 110.631 177.098 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 46.7 t60 -61.1 -34.65 75.27 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.312 -0.403 . . . . 1.02 110.418 179.16 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.555 HD11 ' HB1' ' A' ' 40' ' ' ALA . 78.5 mt -64.76 -49.73 78.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.985 0.422 . . . . 0.61 110.116 175.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 44.1 t80 -54.63 -40.27 68.79 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 115.821 -0.627 . . . . 0.46 110.852 174.539 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 40.9 tp60 -64.42 -41.57 96.53 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.277 -0.42 . . . . 1.48 110.447 178.534 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.629 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 75.2 mtt180 -60.75 -40.43 92.46 Favored 'General case' 0 CA--C 1.516 -0.335 0 CA-C-N 116.223 -0.444 . . . . 3.69 110.581 176.849 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.655 ' SG ' ' HB2' ' A' ' 104' ' ' ALA . 45.8 t -64.3 -44.25 92.18 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.513 -0.767 . . . . 0.54 110.512 -175.097 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 69.1 mt -58.37 -43.56 86.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.165 -0.47 . . . . 0.44 111.161 178.245 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -64.01 -49.49 72.21 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.18 -0.464 . . . . 2.54 111.266 -179.317 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.629 ' HG ' ' O ' ' A' ' 52' ' ' ARG . 43.9 mt -61.02 -36.82 80.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.341 -0.39 . . . . 0.4 111.645 179.321 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 60.9 tttp -62.27 -46.61 88.01 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.121 0.486 . . . . 1.78 110.15 179.215 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 60.1 tp60 -61.3 -37.35 82.91 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.581 -0.736 . . . . 2.41 110.895 177.642 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.16 -40.54 94.48 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.266 -0.425 . . . . 0.26 111.473 179.156 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 74.9 mt -63.45 -40.74 90.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 121.096 0.474 . . . . 0.36 110.11 177.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -62.58 -36.38 82.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.732 -0.667 . . . . 0.64 110.153 178.687 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -61.37 -45.42 94.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.851 -0.613 . . . . 2.28 110.444 178.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ASN . . . . . 0.503 HD21 ' HG3' ' A' ' 20' ' ' ARG . 5.9 m-20 -66.58 -42.24 87.29 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.03 -0.532 . . . . 1.07 110.529 178.281 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -58.53 -42.32 87.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 1.48 110.579 177.342 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 95.5 m-20 -66.08 -36.86 84.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.106 -0.497 . . . . 1.35 110.939 179.378 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -64.39 -46.39 83.52 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.115 0.483 . . . . 0.46 110.448 177.58 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.458 ' HB2' HD21 ' A' ' 17' ' ' LEU . 32.7 tp -67.63 -43.44 80.39 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.73 -0.668 . . . . 0.57 111.093 -179.016 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 27.8 tt0 -64.66 -22.05 66.88 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.003 0.43 . . . . 1.8 111.261 178.046 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 64.2 tttp . . . . . 0 C--N 1.327 -0.41 0 CA-C-O 121.329 0.585 . . . . 2.67 109.875 176.269 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 11.8 t80 . . . . . 0 CA--C 1.53 0.178 0 CA-C-O 120.836 0.35 . . . . 1.57 110.129 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 -69.76 -46.43 65.84 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.163 -0.471 . . . . 1.92 110.729 -178.19 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' GLN . . . . . 0.546 ' O ' ' HG2' ' A' ' 88' ' ' GLU . 57.6 tp60 -71.37 -43.73 66.37 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.994 -0.548 . . . . 3.57 111.106 -175.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 9.8 ttm180 -62.59 -33.98 76.08 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.128 0.489 . . . . 3.59 109.996 -175.857 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 29.0 ttmt -64.08 -41.5 97.29 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.612 -0.722 . . . . 2.26 110.435 177.689 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -72.35 -34.82 68.29 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.198 -0.456 . . . . 2.94 110.722 178.089 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.546 ' HG2' ' O ' ' A' ' 84' ' ' GLN . 23.0 mm-40 -57.38 -42.26 81.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.088 -0.505 . . . . 2.99 111.017 -178.273 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -65.47 -40.01 92.63 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.349 -0.387 . . . . 1.83 110.339 179.163 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 33.5 m-70 -60.94 -45.59 94.09 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 120.847 0.356 . . . . 0.58 110.285 176.133 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 21.4 m -64.48 -37.85 88.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.997 -0.547 . . . . 0.79 111.192 -178.687 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.415 ' O ' ' HG ' ' A' ' 96' ' ' LEU . 53.0 tp -70.02 -51.67 30.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.344 -0.389 . . . . 0.53 110.828 -178.415 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 99.2 mt -63.76 -33.4 75.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.258 -0.428 . . . . 0.69 111.071 -176.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.467 ' O ' ' HG3' ' A' ' 98' ' ' GLN . 18.5 t70 -68.97 -45.09 71.56 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.473 -0.331 . . . . 0.82 110.806 -178.155 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.419 ' O ' ' HG3' ' A' ' 99' ' ' GLN . 26.7 tptp -63.73 -40.78 97.58 Favored 'General case' 0 C--N 1.334 -0.089 0 CA-C-O 120.771 0.32 . . . . 2.25 110.468 179.66 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.415 ' HG ' ' O ' ' A' ' 92' ' ' LEU . 94.7 mt -59.47 -41.58 90.09 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.134 -0.485 . . . . 0.4 110.472 175.6 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 37.0 m -58.59 -40.57 83.56 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.425 -0.352 . . . . 0.44 110.786 174.838 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' GLN . . . . . 0.467 ' HG3' ' O ' ' A' ' 94' ' ' ASP . 74.6 mt-30 -62.25 -43.08 99.65 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.322 -0.399 . . . . 2.53 110.765 178.772 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.419 ' HG3' ' O ' ' A' ' 95' ' ' LYS . 78.1 mt-30 -61.84 -49.15 77.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.914 -0.584 . . . . 2.3 111.093 -178.764 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.452 ' HB3' ' SG ' ' A' ' 53' ' ' CYS . 76.7 mt -69.37 -47.9 62.87 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.897 -0.592 . . . . 0.38 111.06 -174.252 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 56.5 tp60 -62.39 -41.3 98.54 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.187 -0.46 . . . . 2.34 110.229 -178.305 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -63.79 -42.95 98.36 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.937 -0.649 . . . . 0.46 111.962 177.868 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.4 ' O ' HG13 ' A' ' 107' ' ' ILE . 61.3 tp -69.21 -44.83 71.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.542 0.21 . . . . 0.66 110.942 -179.515 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.655 ' HB2' ' SG ' ' A' ' 53' ' ' CYS . . . -55.66 -46.34 77.52 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.005 0.431 . . . . 0.45 111.323 -177.401 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 83.7 t -66.47 -38.04 80.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.787 -0.642 . . . . 0.68 110.984 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 38.5 m -64.33 -32.8 74.55 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.956 0.407 . . . . 0.68 111.113 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.4 HG13 ' O ' ' A' ' 103' ' ' LEU . 76.0 mt -79.14 -42.71 23.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 116.415 -0.357 . . . . 0.83 111.215 -179.36 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 11.2 p -81.7 -27.54 33.9 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.381 -0.372 . . . . 1.19 111.872 -173.902 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 95.8 mtt180 . . . . . 0 C--N 1.327 -0.401 0 C-N-CA 120.978 -0.289 . . . . 5.77 110.32 177.257 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.8 t0 . . . . . 0 N--CA 1.466 0.331 0 CA-C-O 120.818 0.342 . . . . 2.19 110.312 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_exo -61.16 -29.37 86.84 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.632 2.221 . . . . 1.45 111.977 -179.471 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 74.7 mt -62.47 -45.35 93.45 Favored 'General case' 0 C--O 1.223 -0.293 0 CA-C-N 116.113 -0.494 . . . . 0.85 110.448 179.561 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.529 ' O ' ' HG2' ' A' ' 19' ' ' ARG . 46.8 tt0 -60.13 -46.44 89.63 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.517 -0.31 . . . . 2.75 110.864 178.394 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.78 -45.97 87.35 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.895 0.379 . . . . 0.71 110.931 -178.776 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 28.2 tp -65.49 -36.37 83.66 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.043 -0.526 . . . . 1.09 110.458 177.403 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 49.0 ttp180 -61.08 -33.78 73.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.163 -0.471 . . . . 3.33 110.43 177.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.529 ' HG2' ' O ' ' A' ' 15' ' ' GLN . 27.8 mmm180 -63.7 -39.97 95.64 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.899 -0.408 . . . . 3.76 109.899 176.22 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.441 ' HG2' HD21 ' A' ' 63' ' ' ASN . 78.4 ttt180 -67.92 -41.12 83.12 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 115.696 -0.684 . . . . 4.04 110.561 177.164 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -65.99 -40.46 91.2 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 116.402 -0.363 . . . . 1.34 111.093 177.231 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 49.2 tt0 -62.18 -31.84 72.4 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 121.086 0.47 . . . . 2.79 110.464 178.693 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -66.44 -47.52 72.92 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.635 -0.711 . . . . 2.14 109.529 -179.555 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.488 ' O ' HG23 ' A' ' 28' ' ' VAL . 78.8 mt -66.67 -38.01 85.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.89 -0.595 . . . . 0.68 110.665 176.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -58.27 -44.85 88.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.416 -0.357 . . . . 1.9 110.406 179.496 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.446 ' HA ' ' OE1' ' A' ' 26' ' ' GLN . 6.8 tp60 -65.12 -34.23 77.91 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-O 121.139 0.495 . . . . 2.6 110.311 179.186 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 80.3 mt-30 -69.64 -33.52 72.73 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.935 -0.575 . . . . 1.37 110.406 178.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.488 HG23 ' O ' ' A' ' 24' ' ' LEU . 90.8 t -68.02 -45.52 83.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 N-CA-C 110.004 -0.369 . . . . 0.4 110.004 177.552 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -58.5 -36.64 74.11 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 121.074 0.464 . . . . 1.21 110.481 175.86 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 41.2 m -69.0 -39.08 79.55 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.837 -0.62 . . . . 1.3 110.855 179.589 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -63.67 -48.58 76.61 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 109.258 -0.645 . . . . 1.14 109.258 178.917 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 92.2 mt -60.39 -35.57 76.05 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.702 -0.681 . . . . 0.67 111.013 178.692 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 32.1 t -61.72 -41.92 98.26 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.285 -0.416 . . . . 1.29 110.439 179.412 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -76.34 -34.19 58.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.202 0.525 . . . . 1.86 110.226 -179.464 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 33.1 t -71.59 -11.13 60.7 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.556 -0.747 . . . . 1.33 110.877 179.815 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -97.22 -10.01 26.64 Favored 'General case' 0 N--CA 1.45 -0.468 0 N-CA-C 109.1 -0.704 . . . . 2.91 109.1 -175.446 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 85.0 mt -72.69 138.3 46.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.435 -0.802 . . . . 0.95 110.063 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 52.7 mttm -71.9 -29.84 64.75 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.636 -0.711 . . . . 3.61 109.962 179.65 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -69.36 -17.71 63.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.489 -0.778 . . . . 3.24 110.571 176.693 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -81.58 -0.1 40.71 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.15 -0.477 . . . . 1.2 111.636 -176.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 39.9 tp -75.43 -11.25 60.0 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.206 0.527 . . . . 2.76 109.822 174.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.406 ' HG3' ' H ' ' A' ' 45' ' ' LYS . 8.8 tp10 -58.95 116.77 16.83 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 115.424 -0.807 . . . . 3.43 109.751 173.549 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_exo -50.57 -30.67 28.9 Favored 'Trans proline' 0 C--N 1.352 0.718 0 C-N-CA 123.272 2.648 . . . . 1.63 113.597 -177.592 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 80.2 m-20 -69.57 -48.41 60.35 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.911 -0.316 . . . . 1.75 110.425 179.424 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.428 ' NZ ' ' HB2' ' A' ' 45' ' ' LYS . 0.0 OUTLIER -69.67 -39.45 77.02 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.071 0.463 . . . . 1.99 110.468 177.614 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 38.6 ttt180 -56.42 -39.04 72.4 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.289 -0.868 . . . . 3.72 110.658 178.32 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 26.4 tp60 -62.89 -41.12 99.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.791 -0.641 . . . . 2.64 110.391 176.908 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 10.5 t60 -70.12 -37.31 75.29 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.643 -0.708 . . . . 1.02 110.186 -178.624 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 65.8 mt -65.22 -44.59 95.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.302 -0.408 . . . . 0.61 110.626 178.616 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 44.9 t80 -53.91 -40.39 66.64 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.324 -0.398 . . . . 0.46 110.954 175.838 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.432 ' O ' ' HG2' ' A' ' 55' ' ' GLN . 59.8 tp60 -65.39 -46.39 80.25 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.821 0.343 . . . . 1.48 110.551 179.741 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.499 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 98.9 mtt180 -62.58 -34.97 78.06 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.223 -0.444 . . . . 3.69 111.063 178.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 42.0 t -63.61 -44.65 93.36 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.634 -0.506 . . . . 0.54 109.634 179.047 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 72.2 mt -60.16 -44.33 95.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 115.856 -0.611 . . . . 0.44 111.077 176.412 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.432 ' HG2' ' O ' ' A' ' 51' ' ' GLN . 15.8 mm100 -61.05 -49.9 75.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.436 -0.347 . . . . 2.54 111.117 -178.112 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.499 ' HG ' ' O ' ' A' ' 52' ' ' ARG . 68.8 mt -62.04 -37.94 86.84 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.28 -0.418 . . . . 0.4 111.373 177.893 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 27.9 ttpp -64.17 -40.19 95.61 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.033 0.444 . . . . 1.78 109.964 -179.498 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 57.5 mt-30 -66.74 -35.11 79.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.97 -0.559 . . . . 2.41 110.93 174.599 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -68.89 -41.96 77.58 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.387 -0.369 . . . . 0.26 111.34 -179.259 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 73.4 mt -66.98 -40.95 86.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 121.181 0.515 . . . . 0.36 109.98 177.354 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -59.9 -37.65 80.01 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.509 -0.769 . . . . 0.64 110.04 176.292 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -61.13 -47.51 85.9 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.496 -0.774 . . . . 2.28 110.454 177.385 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ASN . . . . . 0.441 HD21 ' HG2' ' A' ' 20' ' ' ARG . 5.3 m-20 -63.47 -42.44 98.6 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.426 -0.352 . . . . 1.07 110.532 177.337 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 22.2 ttmm -57.66 -47.01 83.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 1.48 110.91 179.089 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 34.5 m-80 -69.47 -36.32 76.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 1.35 111.302 -178.438 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -67.77 -41.94 82.49 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.003 0.43 . . . . 0.46 110.357 177.276 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 61.1 tp -62.95 -46.38 88.03 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.761 -0.654 . . . . 0.57 111.163 179.277 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -65.93 -28.99 69.34 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.905 0.383 . . . . 1.8 111.123 -178.056 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 47.3 tttp . . . . . 0 C--N 1.326 -0.447 0 CA-C-N 116.216 -0.447 . . . . 2.67 110.663 -178.747 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 41.1 t80 . . . . . 0 C--O 1.232 0.139 0 N-CA-C 109.504 -0.554 . . . . 1.57 109.504 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 78.4 m-20 -69.71 -27.53 65.06 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.832 -0.622 . . . . 1.92 110.997 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 13.9 mm100 -68.84 -40.72 79.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.318 -0.401 . . . . 3.57 111.671 -178.087 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.407 HH11 ' HD2' ' A' ' 85' ' ' ARG . 47.2 mtm180 -74.71 -31.38 61.85 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-O 121.29 0.567 . . . . 3.59 109.682 176.114 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.46 ' HA ' ' OE1' ' A' ' 89' ' ' GLU . 17.4 ttmm -65.08 -33.87 77.07 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.323 -0.853 . . . . 2.26 110.234 175.211 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -60.38 -39.71 88.24 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.602 -0.726 . . . . 2.94 109.91 176.266 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 34.2 mm-40 -61.45 -32.17 72.15 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 115.967 -0.561 . . . . 2.99 111.199 178.36 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.46 ' OE1' ' HA ' ' A' ' 86' ' ' LYS . 31.1 mt-10 -61.62 -46.38 90.08 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 109.525 -0.546 . . . . 1.83 109.525 178.341 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 40.2 m-70 -66.71 -44.26 82.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.597 -0.729 . . . . 0.58 110.656 179.451 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 26.0 m -59.08 -44.64 91.9 Favored 'General case' 0 C--N 1.328 -0.334 0 O-C-N 123.402 0.439 . . . . 0.79 111.203 179.532 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.496 ' O ' ' HG ' ' A' ' 96' ' ' LEU . 56.0 tp -68.34 -50.6 52.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 0.53 110.994 -176.146 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 94.8 mt -67.96 -32.26 72.56 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.197 -0.456 . . . . 0.69 111.32 -176.38 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -64.4 -47.25 79.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.674 -0.239 . . . . 0.82 111.538 -175.909 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 7.9 ttpm? -71.52 -34.96 70.53 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 121.186 -0.206 . . . . 2.25 110.906 -178.615 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.496 ' HG ' ' O ' ' A' ' 92' ' ' LEU . 98.3 mt -59.14 -45.3 91.31 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 110.185 -0.302 . . . . 0.4 110.185 173.695 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 25.0 m -60.13 -45.66 92.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.312 -0.404 . . . . 0.44 110.992 176.068 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 44.1 tt0 -60.62 -44.89 95.8 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-O 120.929 0.395 . . . . 2.53 111.155 179.511 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 7.5 tp60 -59.26 -47.67 84.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.797 -0.638 . . . . 2.3 111.211 -178.268 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 74.2 mt -73.72 -44.39 56.51 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.29 -0.414 . . . . 0.38 111.593 -176.552 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 24.9 tm0? -61.27 -44.35 97.38 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 110.13 -0.322 . . . . 2.34 110.13 -177.563 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -65.71 -42.9 95.06 Favored Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 120.581 -0.818 . . . . 0.46 111.966 178.115 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.455 ' O ' HG13 ' A' ' 107' ' ' ILE . 49.8 tp -65.97 -43.69 87.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.491 0.186 . . . . 0.66 110.923 -178.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -56.22 -44.74 79.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.31 -0.404 . . . . 0.45 111.354 -178.126 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 93.8 t -67.9 -38.68 80.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 121.026 0.441 . . . . 0.68 110.497 178.34 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 86.9 m -64.23 -35.71 81.7 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.937 -0.574 . . . . 0.68 111.042 178.632 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.455 HG13 ' O ' ' A' ' 103' ' ' LEU . 84.0 mt -75.46 -42.33 42.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 0.83 111.22 179.823 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 12.7 p -78.58 -14.19 59.45 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.867 0.365 . . . . 1.19 111.432 -174.61 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 88.5 mtt180 . . . . . 0 C--N 1.325 -0.48 0 CA-C-O 121.099 0.476 . . . . 5.77 110.0 179.645 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 30.3 t70 . . . . . 0 C--O 1.235 0.292 0 N-CA-C 109.474 -0.565 . . . . 2.19 109.474 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -55.02 -27.63 55.8 Favored 'Trans proline' 0 C--N 1.349 0.564 0 C-N-CA 123.234 2.623 . . . . 1.45 112.079 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 79.6 mt -56.52 -42.26 78.11 Favored 'General case' 0 C--O 1.218 -0.582 0 CA-C-N 115.917 -0.583 . . . . 0.85 111.175 -179.733 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 6.6 tp60 -59.74 -48.62 80.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.626 0.251 . . . . 2.75 111.251 -179.65 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.96 -45.61 73.7 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.002 0.429 . . . . 0.71 110.959 -178.454 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 30.5 tp -66.35 -36.94 84.18 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.991 -0.549 . . . . 1.09 110.935 179.515 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.487 ' O ' ' HG3' ' A' ' 22' ' ' GLN . 42.6 ttp180 -59.8 -42.8 94.23 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.545 -0.298 . . . . 3.33 110.526 176.636 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 73.0 ttt180 -58.85 -40.28 83.8 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.155 0.502 . . . . 3.76 109.721 178.005 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -66.21 -42.21 89.06 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.507 -0.77 . . . . 4.04 110.543 176.315 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -61.0 -42.25 98.09 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-O 120.868 0.366 . . . . 1.34 110.679 176.422 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.487 ' HG3' ' O ' ' A' ' 18' ' ' ARG . 97.6 mt-30 -62.29 -31.42 72.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.083 -0.508 . . . . 2.79 110.572 178.506 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -70.21 -43.18 71.2 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.017 -0.538 . . . . 2.14 109.695 178.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 87.3 mt -66.06 -37.28 85.42 Favored 'General case' 0 CA--C 1.52 -0.203 0 CA-C-N 115.921 -0.581 . . . . 0.68 110.444 175.812 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.429 ' HG2' ' OD2' ' A' ' 29' ' ' ASP . 60.6 tttm -59.36 -40.69 87.25 Favored 'General case' 0 C--O 1.225 -0.215 0 CA-C-N 116.536 -0.302 . . . . 1.9 110.396 177.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.458 ' HG2' ' O ' ' A' ' 22' ' ' GLN . 18.3 mm-40 -60.25 -35.2 74.95 Favored 'General case' 0 C--O 1.231 0.126 0 CA-C-O 121.19 0.519 . . . . 2.6 110.493 177.6 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -71.54 -37.67 71.12 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.857 -0.611 . . . . 1.37 110.044 179.626 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 97.9 t -69.69 -48.74 63.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.85 -0.614 . . . . 0.4 110.382 -179.688 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.429 ' OD2' ' HG2' ' A' ' 25' ' ' LYS . 31.9 m-20 -58.46 -37.13 74.84 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.07 -0.514 . . . . 1.21 110.827 -179.542 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 23.0 t -66.11 -42.21 89.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.395 -0.366 . . . . 1.3 110.275 177.627 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 57.2 tp -66.8 -40.49 88.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.792 0.33 . . . . 1.14 110.509 -176.775 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 89.1 mt -68.27 -44.19 76.11 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.318 -0.401 . . . . 0.67 110.737 -177.272 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 12.5 p -67.21 -31.5 71.93 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.133 -0.485 . . . . 1.29 111.246 -179.24 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -75.44 -29.89 59.82 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 121.326 0.584 . . . . 1.86 109.737 178.434 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 51.8 m -73.66 -10.49 59.75 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.575 -0.739 . . . . 1.33 111.386 178.358 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 99.0 mt-30 -104.04 7.26 36.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.207 0.527 . . . . 2.91 110.07 -175.484 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 78.4 mt -77.85 147.62 35.07 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.456 -0.793 . . . . 0.95 109.831 177.719 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 61.9 tttm -67.71 -30.92 70.54 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.027 0.442 . . . . 3.61 110.149 178.266 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -71.59 -18.59 62.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.212 -0.449 . . . . 3.24 110.56 177.13 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -82.21 -0.42 45.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.056 -0.52 . . . . 1.2 110.955 -178.163 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 56.0 tp -69.39 -15.45 63.31 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.315 0.579 . . . . 2.76 109.659 174.528 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 -66.15 115.65 25.55 Favored Pre-proline 0 C--N 1.327 -0.398 0 CA-C-N 115.074 -0.966 . . . . 3.43 110.18 176.638 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.474 ' O ' ' HG3' ' A' ' 47' ' ' GLN . 11.1 Cg_endo -54.79 -30.93 69.93 Favored 'Trans proline' 0 C--N 1.35 0.656 0 C-N-CA 123.096 2.53 . . . . 1.63 112.853 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -64.14 -43.2 95.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.658 0.266 . . . . 1.75 110.592 179.009 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 4.5 tppp? -72.08 -33.65 68.06 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.952 0.406 . . . . 1.99 110.377 176.69 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.482 ' HG2' HG23 ' A' ' 107' ' ' ILE . 41.9 ttm180 -57.8 -36.22 71.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.795 -0.639 . . . . 3.72 110.898 178.578 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.474 ' HG3' ' O ' ' A' ' 43' ' ' PRO . 69.5 mt-30 -61.56 -40.09 93.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.934 -0.575 . . . . 2.64 110.703 177.097 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 21.0 t60 -64.94 -34.97 79.68 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.632 -0.713 . . . . 1.02 109.851 179.679 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 85.3 mt -67.56 -47.16 81.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.782 -0.645 . . . . 0.61 110.976 -179.588 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.458 ' HB2' HG21 ' A' ' 107' ' ' ILE . 48.3 t80 -54.36 -40.82 68.48 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.417 -0.356 . . . . 0.46 111.431 178.884 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.461 ' O ' ' HG3' ' A' ' 55' ' ' GLN . 54.8 tp60 -62.5 -46.11 89.92 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.392 -0.367 . . . . 1.48 110.67 179.595 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.435 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 23.8 mmt180 -67.46 -31.63 71.92 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.291 -0.413 . . . . 3.69 110.87 -178.619 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 42.5 t -62.69 -44.48 96.13 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.051 -0.522 . . . . 0.54 109.97 178.549 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 66.5 mt -58.53 -45.64 90.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.863 -0.608 . . . . 0.44 111.106 177.26 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.461 ' HG3' ' O ' ' A' ' 51' ' ' GLN . 20.1 mt-30 -61.9 -50.33 72.63 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.109 -0.496 . . . . 2.54 111.045 -177.687 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.435 ' HG ' ' O ' ' A' ' 52' ' ' ARG . 72.9 mt -61.26 -36.94 81.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.4 111.544 178.386 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 21.4 ttmm -57.74 -45.8 85.33 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 109.843 -0.429 . . . . 1.78 109.843 176.315 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 98.6 mt-30 -60.24 -42.39 95.15 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.673 -0.694 . . . . 2.41 110.886 177.912 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.63 -43.72 88.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.446 . . . . 0.26 111.442 -178.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 81.9 mt -66.7 -43.12 90.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.529 -0.305 . . . . 0.36 110.518 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -59.75 -41.37 90.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.223 0.535 . . . . 0.64 110.198 177.405 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -62.52 -47.37 84.21 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.285 -0.871 . . . . 2.28 110.847 179.612 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -67.02 -39.75 87.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.481 -0.327 . . . . 1.07 110.994 178.465 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 64.5 tttp -57.0 -45.89 82.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.926 0.393 . . . . 1.48 110.489 175.807 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -66.86 -39.35 87.52 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.879 -0.601 . . . . 1.35 110.883 179.154 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -65.46 -39.9 92.57 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.1 -0.5 . . . . 0.46 110.466 178.177 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 60.3 tp -66.86 -44.7 80.29 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.566 -0.743 . . . . 0.57 110.989 179.646 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 57.5 tt0 -59.8 -29.13 68.02 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.123 0.487 . . . . 1.8 111.069 178.017 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 64.1 tttm . . . . . 0 C--N 1.325 -0.493 0 CA-C-N 115.804 -0.634 . . . . 2.67 110.535 -178.737 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 32.7 t80 . . . . . 0 C--O 1.233 0.223 0 CA-C-O 120.671 0.272 . . . . 1.57 110.593 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -71.69 -27.49 63.07 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.833 -0.347 . . . . 1.92 111.182 -178.582 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -65.08 -47.85 75.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.745 0.307 . . . . 3.57 110.694 177.809 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.417 ' O ' ' HG2' ' A' ' 89' ' ' GLU . 43.6 ttm180 -64.06 -40.36 96.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.171 0.51 . . . . 3.59 109.815 178.46 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 19.8 ttmm -62.52 -42.46 99.53 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.632 -0.713 . . . . 2.26 110.571 177.32 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -67.02 -38.16 85.44 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.392 -0.822 . . . . 2.94 110.791 179.498 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -65.05 -39.05 92.74 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.156 -0.474 . . . . 2.99 110.546 -179.476 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.419 ' O ' HD13 ' A' ' 93' ' ' LEU . 27.7 mm-40 -61.58 -44.74 96.45 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 110.047 -0.353 . . . . 1.83 110.047 175.101 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 7.4 m-70 -58.57 -42.58 88.3 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.339 -0.391 . . . . 0.58 110.436 176.422 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 33.4 m -62.93 -42.35 99.78 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.854 -0.612 . . . . 0.79 111.122 -179.565 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.53 ' O ' ' HG ' ' A' ' 96' ' ' LEU . 27.3 tp -70.73 -51.95 24.02 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.297 -0.411 . . . . 0.53 111.143 -178.47 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.419 HD13 ' O ' ' A' ' 89' ' ' GLU . 10.9 mp -61.82 -32.98 73.33 Favored 'General case' 0 CA--C 1.519 -0.215 0 CA-C-N 116.424 -0.353 . . . . 0.69 110.904 -177.584 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -63.89 -46.49 84.65 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.491 -0.322 . . . . 0.82 110.209 176.917 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.4 ' O ' ' HG3' ' A' ' 99' ' ' GLN . 54.8 tttp -61.35 -44.15 97.66 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.503 -0.317 . . . . 2.25 111.439 175.421 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.53 ' HG ' ' O ' ' A' ' 92' ' ' LEU . 84.4 mt -58.87 -44.87 91.16 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.308 -0.406 . . . . 0.4 110.135 178.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 28.8 m -58.37 -43.19 88.33 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.947 -0.57 . . . . 0.44 110.729 174.739 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -62.35 -46.76 87.21 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.736 0.303 . . . . 2.53 111.3 -179.268 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.4 ' HG3' ' O ' ' A' ' 95' ' ' LYS . 53.1 mt-30 -60.61 -39.78 89.44 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.995 -0.548 . . . . 2.3 110.984 -177.57 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 96.4 mt -74.35 -41.83 60.4 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.227 -0.442 . . . . 0.38 110.979 178.238 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 23.8 tm0? -62.99 -44.33 96.34 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.828 -0.624 . . . . 2.34 110.432 -178.392 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -62.07 -41.1 99.67 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.728 -0.749 . . . . 0.46 111.593 176.317 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 66.8 tp -63.38 -45.93 88.85 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.704 0.288 . . . . 0.66 110.937 178.685 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.88 -46.7 89.56 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.186 -0.461 . . . . 0.45 111.35 -177.292 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 71.0 t -62.03 -38.33 80.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 120.897 0.379 . . . . 0.68 110.79 179.018 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 92.4 m -61.54 -33.09 73.24 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.826 -0.625 . . . . 0.68 110.945 177.857 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.482 HG23 ' HG2' ' A' ' 46' ' ' ARG . 91.5 mt -79.27 -39.64 21.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.209 -0.451 . . . . 0.83 111.176 178.853 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 21.6 m -71.77 -17.74 62.16 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.122 0.487 . . . . 1.19 110.602 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 56.0 ttp180 . . . . . 0 N--CA 1.45 -0.473 0 CA-C-N 115.924 -0.58 . . . . 5.77 109.578 178.216 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 . . . . . 0 N--CA 1.455 -0.192 0 CA-C-O 120.134 0.016 . . . . 2.19 110.996 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -62.07 -28.78 80.47 Favored 'Trans proline' 0 C--N 1.35 0.631 0 C-N-CA 122.302 2.002 . . . . 1.45 111.505 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 54.1 mt -57.14 -39.16 74.66 Favored 'General case' 0 C--O 1.221 -0.421 0 CA-C-N 115.534 -0.757 . . . . 0.85 111.228 -179.769 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -67.17 -48.54 67.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.77 0.319 . . . . 2.75 110.603 -177.726 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.1 -44.75 95.98 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.112 -0.494 . . . . 0.71 110.957 178.195 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 23.4 tp -67.19 -40.09 86.46 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.846 -0.615 . . . . 1.09 111.131 179.244 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.46 ' O ' ' HG3' ' A' ' 22' ' ' GLN . 35.3 ttm180 -60.2 -39.67 87.36 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 110.19 -0.3 . . . . 3.33 110.19 174.761 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 48.3 ttp180 -59.13 -43.19 91.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.137 -0.483 . . . . 3.76 110.061 175.743 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 89.2 mtt180 -61.0 -43.44 98.89 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 115.788 -0.642 . . . . 4.04 110.618 174.436 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -64.56 -34.6 78.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.492 -0.322 . . . . 1.34 111.316 178.739 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.46 ' HG3' ' O ' ' A' ' 18' ' ' ARG . 96.0 mt-30 -64.57 -31.5 72.75 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-O 120.924 0.392 . . . . 2.79 110.423 176.662 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.498 ' O ' ' HG3' ' A' ' 27' ' ' GLN . 39.0 tt0 -67.26 -45.71 75.86 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.535 -0.757 . . . . 2.14 109.183 177.648 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.489 ' O ' HG23 ' A' ' 28' ' ' VAL . 73.2 mt -65.52 -36.25 83.27 Favored 'General case' 0 C--O 1.224 -0.265 0 CA-C-N 115.704 -0.68 . . . . 0.68 110.772 175.382 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 37.5 ttmt -57.8 -41.67 82.63 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.97 -0.381 . . . . 1.9 109.97 178.606 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 52.4 tp60 -68.44 -34.12 75.42 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.229 -0.441 . . . . 2.6 110.442 178.26 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.498 ' HG3' ' O ' ' A' ' 23' ' ' GLU . 27.1 mt-30 -67.76 -34.68 77.29 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.656 -0.498 . . . . 1.37 109.656 178.231 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.489 HG23 ' O ' ' A' ' 24' ' ' LEU . 82.1 t -68.47 -48.7 71.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.889 -0.596 . . . . 0.4 110.006 177.393 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -59.63 -34.98 73.49 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.139 -0.482 . . . . 1.21 110.788 177.457 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 41.6 t -65.17 -44.66 87.78 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.199 -0.455 . . . . 1.3 110.57 177.463 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.45 HD11 HG23 ' A' ' 49' ' ' ILE . 52.0 tp -64.75 -48.31 75.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.42 -0.354 . . . . 1.14 110.335 -179.398 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 86.8 mt -60.45 -33.8 73.07 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.102 -0.499 . . . . 0.67 111.093 178.265 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 33.0 t -63.44 -42.55 98.68 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.065 -0.516 . . . . 1.29 110.181 178.443 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -75.56 -32.21 60.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.155 0.503 . . . . 1.86 109.998 -179.571 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 21.5 m -73.43 -10.59 59.89 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.616 -0.72 . . . . 1.33 111.301 179.763 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -100.4 -10.36 21.25 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.472 0.653 . . . . 2.91 109.473 -174.435 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 87.7 mt -66.82 136.54 55.59 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.332 -0.849 . . . . 0.95 110.176 -178.797 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 7.8 ptpp? -63.57 -29.64 70.87 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.199 -0.455 . . . . 3.61 109.959 177.092 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 44.3 mm-40 -73.07 -17.23 61.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.517 -0.765 . . . . 3.24 111.073 177.465 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -86.69 -0.21 55.84 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.326 -0.397 . . . . 1.2 111.467 -177.61 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 49.0 tp -72.51 -9.09 58.13 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.345 0.593 . . . . 2.76 110.253 176.778 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 22.3 mm-40 -73.63 129.86 84.68 Favored Pre-proline 0 C--N 1.323 -0.563 0 CA-C-N 115.813 -0.63 . . . . 3.43 110.499 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_exo -46.3 -43.66 21.13 Favored 'Trans proline' 0 C--N 1.348 0.538 0 C-N-CA 123.05 2.5 . . . . 1.63 114.184 -171.413 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 84.1 m-20 -59.69 -43.26 94.13 Favored 'General case' 0 N--CA 1.464 0.235 0 N-CA-C 111.491 0.182 . . . . 1.75 111.491 -176.818 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.41 ' O ' HG13 ' A' ' 49' ' ' ILE . 16.9 tppt? -64.6 -42.81 95.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.761 -0.2 . . . . 1.99 110.701 179.353 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 13.8 mmt180 -57.12 -43.83 82.74 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.379 -0.373 . . . . 3.72 110.832 179.603 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 68.3 mt-30 -61.44 -39.28 90.27 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.83 -0.623 . . . . 2.64 110.765 179.211 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 16.6 t60 -69.48 -34.87 74.98 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.994 -0.548 . . . . 1.02 110.152 -179.233 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.45 HG23 HD11 ' A' ' 31' ' ' LEU . 85.5 mt -65.96 -42.28 91.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.927 -0.578 . . . . 0.61 110.961 178.855 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 72.3 t80 -54.01 -41.02 67.51 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 116.34 -0.391 . . . . 0.46 111.355 178.592 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.56 ' O ' ' HG2' ' A' ' 55' ' ' GLN . 51.7 tp60 -67.06 -42.3 85.0 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.403 -0.362 . . . . 1.48 110.305 -179.474 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -66.53 -31.75 72.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.485 . . . . 3.69 111.307 179.042 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.448 ' SG ' ' HB2' ' A' ' 104' ' ' ALA . 45.7 t -67.29 -42.31 83.95 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.708 -0.478 . . . . 0.54 109.708 -178.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 60.8 mt -58.88 -39.96 78.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.826 -0.625 . . . . 0.44 110.876 176.263 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.56 ' HG2' ' O ' ' A' ' 51' ' ' GLN . 77.0 mm-40 -65.18 -50.84 64.4 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.08 -0.509 . . . . 2.54 111.165 -178.154 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.403 ' O ' HG13 ' A' ' 60' ' ' ILE . 65.6 mt -61.28 -38.25 86.11 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.464 -0.335 . . . . 0.4 111.675 178.667 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 64.0 tttm -62.43 -41.42 98.71 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.839 0.352 . . . . 1.78 110.213 179.761 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 47.3 tt0 -63.88 -38.41 90.98 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.927 -0.579 . . . . 2.41 110.442 176.705 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -66.3 -45.31 80.82 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.967 -0.56 . . . . 0.26 111.56 -179.285 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.403 HG13 ' O ' ' A' ' 56' ' ' LEU . 73.1 mt -64.67 -41.97 93.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 121.04 0.448 . . . . 0.36 110.016 179.562 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -59.84 -36.86 77.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.612 -0.722 . . . . 0.64 110.404 177.326 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 19.5 tp10 -61.36 -47.19 86.98 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.367 -0.833 . . . . 2.28 110.712 179.021 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -72.21 -33.68 67.78 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.738 -0.385 . . . . 1.07 110.983 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 59.9 tttp -56.79 -45.87 81.91 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 120.988 0.423 . . . . 1.48 110.073 173.18 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 -64.27 -37.54 87.86 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.739 -0.664 . . . . 1.35 110.89 179.012 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -66.71 -45.88 77.35 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.027 -0.533 . . . . 0.46 110.115 177.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 53.3 tp -61.09 -42.8 99.18 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.497 -0.774 . . . . 0.57 111.025 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 51.0 tp60 -63.26 -31.18 72.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.112 -0.494 . . . . 1.8 111.451 178.348 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 26.2 tptp . . . . . 0 C--N 1.33 -0.279 0 CA-C-O 120.885 0.374 . . . . 2.67 110.674 -178.888 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 36.0 t80 . . . . . 0 N--CA 1.462 0.141 0 N-CA-C 109.63 -0.508 . . . . 1.57 109.63 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 0.551 ' O ' ' HG3' ' A' ' 87' ' ' GLU . 91.4 m-20 -66.43 -42.85 87.08 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.944 -0.571 . . . . 1.92 111.027 -179.516 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 8.9 tp60 -60.17 -45.73 92.08 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.427 -0.351 . . . . 3.57 111.355 -177.437 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -63.17 -33.11 74.76 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.232 0.539 . . . . 3.59 109.913 -179.329 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 21.5 ttmm -70.65 -44.16 67.71 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.334 -0.848 . . . . 2.26 110.751 178.253 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.551 ' HG3' ' O ' ' A' ' 83' ' ' ASN . 48.3 mt-10 -68.49 -43.22 77.36 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.343 -0.39 . . . . 2.94 110.805 -178.807 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 40.6 mm-40 -65.06 -31.57 72.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.332 -0.395 . . . . 2.99 110.993 179.558 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 23.4 tp10 -68.55 -35.34 77.28 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.784 -0.45 . . . . 1.83 109.784 178.541 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 10.8 m80 -61.33 -42.58 98.92 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.191 -0.459 . . . . 0.58 110.194 174.648 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 18.8 m -61.42 -38.51 87.39 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.789 -0.641 . . . . 0.79 110.929 178.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 63.2 tp -70.92 -51.45 25.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 0.53 111.115 179.375 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 94.8 mt -64.58 -32.98 74.86 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.139 -0.482 . . . . 0.69 111.365 -175.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -63.86 -45.28 90.19 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.596 -0.275 . . . . 0.82 110.394 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 55.7 tttp -59.29 -49.53 77.49 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.619 -0.264 . . . . 2.25 111.38 177.798 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 86.4 mt -59.27 -46.39 88.64 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.379 -0.373 . . . . 0.4 110.806 -178.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 27.6 m -59.7 -45.87 90.79 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.422 -0.353 . . . . 0.44 111.179 176.191 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 7.2 tp60 -64.47 -40.57 95.93 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.169 -0.469 . . . . 2.53 111.263 -178.207 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 31.4 tt0 -65.02 -41.88 94.88 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.754 -0.657 . . . . 2.3 110.614 -177.75 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.417 HD11 HG22 ' A' ' 28' ' ' VAL . 77.6 mt -71.12 -47.19 59.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.952 -0.567 . . . . 0.38 111.043 179.697 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 51.0 tp60 -61.47 -35.75 78.51 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.177 -0.465 . . . . 2.34 110.388 -178.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -64.9 -45.29 92.93 Favored Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 120.523 -0.846 . . . . 0.46 111.618 175.294 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 65.0 tp -64.31 -41.24 96.92 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.911 0.386 . . . . 0.66 110.578 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.448 ' HB2' ' SG ' ' A' ' 53' ' ' CYS . . . -58.14 -46.44 85.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.841 -0.618 . . . . 0.45 110.872 -179.758 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 97.4 t -67.55 -34.83 70.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.813 0.34 . . . . 0.68 110.671 178.903 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 88.1 m -61.07 -39.97 91.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.937 0.399 . . . . 0.68 110.681 177.527 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 65.9 mt -78.98 -35.27 17.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 121.017 0.436 . . . . 0.83 110.646 178.299 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 38.6 t -63.73 -27.15 69.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.027 -0.533 . . . . 1.19 110.499 178.9 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 74.8 mtp180 . . . . . 0 C--N 1.325 -0.489 0 CA-C-N 115.909 -0.587 . . . . 5.77 109.661 -179.968 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 . . . . . 0 C--O 1.235 0.321 0 CA-C-O 120.682 0.277 . . . . 2.19 111.098 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -64.37 -35.71 48.77 Favored 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 122.419 2.079 . . . . 1.45 111.269 176.77 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 73.5 mt -62.5 -39.93 95.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.534 -0.757 . . . . 0.85 110.982 -177.51 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 50.9 tt0 -66.09 -48.3 71.4 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.612 0.244 . . . . 2.75 110.966 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.94 -45.17 78.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.926 0.393 . . . . 0.71 110.908 -178.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 39.2 tp -62.62 -36.83 84.03 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.976 -0.556 . . . . 1.09 110.868 177.654 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.443 ' HB2' ' NH2' ' A' ' 85' ' ' ARG . 76.5 ttt180 -59.14 -35.51 73.62 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-O 120.748 0.309 . . . . 3.33 110.331 177.251 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 38.4 mtp85 -61.55 -42.17 98.44 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.139 0.495 . . . . 3.76 110.172 176.787 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 31.0 mmt180 -70.69 -36.23 73.18 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.928 -0.578 . . . . 4.04 110.904 175.739 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 97.5 m-20 -63.82 -40.73 97.32 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.631 0.253 . . . . 1.34 110.598 175.876 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 53.1 tt0 -63.74 -32.0 73.36 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.03 0.443 . . . . 2.79 110.418 177.004 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.403 ' O ' ' HG3' ' A' ' 27' ' ' GLN . 9.3 tp10 -65.86 -48.2 72.37 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.419 -0.81 . . . . 2.14 109.0 -179.601 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.468 ' O ' HG23 ' A' ' 28' ' ' VAL . 91.0 mt -67.87 -36.75 80.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.126 -0.943 . . . . 0.68 110.595 178.214 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 20.4 tptm -57.8 -46.52 84.52 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.52 -0.309 . . . . 1.9 110.785 178.484 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 22.4 mm-40 -64.17 -32.76 74.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.031 0.443 . . . . 2.6 110.508 179.188 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.403 ' HG3' ' O ' ' A' ' 23' ' ' GLU . 78.6 mt-30 -70.03 -33.92 72.61 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.951 -0.568 . . . . 1.37 109.798 178.316 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.468 HG23 ' O ' ' A' ' 24' ' ' LEU . 74.9 t -67.75 -43.62 86.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 N-CA-C 109.901 -0.407 . . . . 0.4 109.901 176.545 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -58.02 -36.56 72.88 Favored 'General case' 0 CA--C 1.519 -0.244 0 CA-C-O 121.108 0.48 . . . . 1.21 109.936 175.484 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.607 ' O ' ' HG2' ' A' ' 34' ' ' GLU . 42.2 m -66.88 -40.86 87.94 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.597 -0.729 . . . . 1.3 110.621 178.524 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.434 ' O ' HD13 ' A' ' 31' ' ' LEU . 1.6 tm? -65.16 -40.85 94.92 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.472 -0.566 . . . . 1.14 109.472 -179.243 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.461 ' O ' ' HG2' ' A' ' 36' ' ' GLN . 97.0 mt -63.35 -40.48 97.41 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.106 -0.497 . . . . 0.67 111.058 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 11.9 p -71.42 -32.21 68.13 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.458 -0.337 . . . . 1.29 111.773 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.607 ' HG2' ' O ' ' A' ' 30' ' ' SER . 42.3 mm-40 -75.5 -37.86 59.87 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 121.188 0.518 . . . . 1.86 110.872 -178.008 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 22.0 p -71.65 -11.21 60.72 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.84 -0.618 . . . . 1.33 112.088 -174.15 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.461 ' HG2' ' O ' ' A' ' 32' ' ' LEU . 34.8 mm-40 -103.39 1.51 32.7 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.972 -0.381 . . . . 2.91 109.972 -176.748 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.591 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 93.7 mt -75.87 133.94 40.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.066 -0.515 . . . . 0.95 110.14 -178.671 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 54.9 mttp -65.4 -33.32 75.68 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.273 -0.876 . . . . 3.61 110.804 -175.826 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -76.45 -21.83 55.38 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.083 -0.508 . . . . 3.24 110.681 178.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.456 ' HB1' HD11 ' A' ' 49' ' ' ILE . . . -92.38 -0.86 57.34 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.987 -0.551 . . . . 1.2 111.144 -176.688 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.591 ' HG ' ' O ' ' A' ' 37' ' ' LEU . 92.2 mt -85.21 3.99 36.73 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.847 -0.615 . . . . 2.76 110.765 179.153 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.543 ' O ' ' HG3' ' A' ' 46' ' ' ARG . 51.7 mm-40 -69.31 143.52 93.71 Favored Pre-proline 0 C--N 1.325 -0.496 0 CA-C-N 115.967 -0.56 . . . . 3.43 110.343 177.898 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_endo -50.28 -48.41 20.13 Favored 'Trans proline' 0 C--N 1.348 0.52 0 C-N-CA 122.897 2.398 . . . . 1.63 113.445 -171.401 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -68.55 -40.79 80.51 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.816 -0.175 . . . . 1.75 111.084 -174.843 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.407 ' HG2' ' HA ' ' A' ' 40' ' ' ALA . 27.7 tptp -62.52 -31.41 72.18 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.635 -0.257 . . . . 1.99 110.877 -179.586 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.543 ' HG3' ' O ' ' A' ' 42' ' ' GLU . 96.0 mtt180 -56.7 -42.08 78.52 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.396 -0.365 . . . . 3.72 110.756 178.625 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -64.66 -36.06 83.03 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.938 0.399 . . . . 2.64 110.815 178.902 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 7.8 t60 -69.86 -38.8 76.55 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.978 -0.555 . . . . 1.02 110.065 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.456 HD11 ' HB1' ' A' ' 40' ' ' ALA . 65.2 mt -69.45 -43.4 80.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.286 -0.416 . . . . 0.61 110.188 178.317 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 58.6 t80 -54.28 -40.27 67.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 0.46 110.879 175.73 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 57.6 tp60 -64.46 -44.88 89.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.029 0.443 . . . . 1.48 110.38 177.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.453 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 28.3 mmm180 -65.76 -33.03 74.92 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.052 -0.522 . . . . 3.69 110.953 -179.595 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 31.3 t -68.0 -41.67 81.91 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.078 -0.51 . . . . 0.54 109.763 179.11 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 62.0 mt -59.06 -40.78 81.59 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-N 115.787 -0.642 . . . . 0.44 110.722 175.475 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 58.2 tp60 -60.73 -50.1 74.84 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.26 -0.427 . . . . 2.54 110.7 -179.387 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.453 ' HG ' ' O ' ' A' ' 52' ' ' ARG . 52.6 mt -60.61 -40.19 90.94 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.242 -0.435 . . . . 0.4 111.405 178.079 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 39.8 ttpt -61.35 -45.85 92.67 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.997 0.427 . . . . 1.78 110.566 -178.786 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -64.11 -35.85 82.11 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.79 -0.641 . . . . 2.41 111.05 178.532 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -67.03 -40.01 87.1 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.348 -0.387 . . . . 0.26 111.195 179.508 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.442 HG13 ' O ' ' A' ' 56' ' ' LEU . 77.9 mt -66.79 -44.07 89.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.363 -0.38 . . . . 0.36 110.376 178.833 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -60.07 -36.3 77.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.83 -0.623 . . . . 0.64 109.988 178.407 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -61.0 -47.27 87.22 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.403 -0.817 . . . . 2.28 110.99 177.812 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 7.6 m-20 -65.46 -42.79 91.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.446 . . . . 1.07 110.743 178.65 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 84.5 tttt -60.23 -46.09 90.96 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.893 -0.594 . . . . 1.48 110.677 178.606 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -66.09 -36.48 83.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.082 -0.508 . . . . 1.35 111.092 -178.404 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -63.86 -47.48 80.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.985 0.421 . . . . 0.46 110.694 177.425 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 56.8 tp -63.56 -43.8 95.98 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.9 -0.591 . . . . 0.57 110.75 179.313 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 63.5 tt0 -63.56 -28.43 69.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.87 -0.605 . . . . 1.8 111.122 179.548 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 28.7 ttpp . . . . . 0 C--N 1.329 -0.308 0 CA-C-O 120.943 0.402 . . . . 2.67 110.759 -178.842 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 26.7 t80 . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.828 0.347 . . . . 1.57 110.198 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 76.1 m-20 -68.64 -41.07 79.89 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-O 121.177 0.513 . . . . 1.92 110.278 -179.382 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' GLN . . . . . 0.498 ' O ' ' HG2' ' A' ' 88' ' ' GLU . 57.7 tt0 -61.16 -51.0 70.9 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.394 -0.821 . . . . 3.57 110.869 -177.486 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.467 ' O ' ' HG2' ' A' ' 89' ' ' GLU . 11.2 mtp180 -67.92 -35.17 77.98 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.395 -0.366 . . . . 3.59 111.688 -176.058 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 38.8 ttmt -59.5 -39.56 84.21 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.108 0.48 . . . . 2.26 110.277 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 15.9 tp10 -71.73 -39.63 69.97 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.89 -0.596 . . . . 2.94 110.386 178.055 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.498 ' HG2' ' O ' ' A' ' 84' ' ' GLN . 47.9 mm-40 -63.98 -37.72 88.44 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.09 -0.504 . . . . 2.99 111.595 -176.9 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.467 ' HG2' ' O ' ' A' ' 85' ' ' ARG . 70.0 mm-40 -60.82 -42.63 98.06 Favored 'General case' 0 C--N 1.332 -0.163 0 N-CA-C 109.598 -0.519 . . . . 1.83 109.598 177.499 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 50.5 m80 -63.53 -37.95 89.26 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.872 -0.604 . . . . 0.58 110.503 176.474 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 25.9 m -65.92 -38.9 89.89 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.999 0.428 . . . . 0.79 111.031 -179.41 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.457 ' O ' ' HG ' ' A' ' 96' ' ' LEU . 57.8 tp -70.22 -51.9 27.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.102 -0.499 . . . . 0.53 110.648 179.525 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 89.9 mt -66.29 -33.37 75.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.494 . . . . 0.69 111.096 -175.891 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -64.43 -45.24 88.36 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.742 -0.208 . . . . 0.82 111.126 -178.434 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 59.9 tttp -62.36 -45.1 94.71 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.725 0.298 . . . . 2.25 110.555 178.338 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.457 ' HG ' ' O ' ' A' ' 92' ' ' LEU . 86.4 mt -59.24 -46.57 88.14 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.94 -0.573 . . . . 0.4 110.485 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 28.0 m -58.86 -46.1 88.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.23 -0.441 . . . . 0.44 111.335 177.318 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 60.5 tp60 -68.46 -41.17 80.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.28 -0.418 . . . . 2.53 111.1 -176.914 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -63.76 -48.23 77.81 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.983 -0.553 . . . . 2.3 110.766 -179.678 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 66.8 mt -63.95 -44.56 92.46 Favored 'General case' 0 C--O 1.222 -0.369 0 CA-C-N 116.194 -0.457 . . . . 0.38 110.776 -178.682 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 52.3 tp60 -61.51 -40.68 95.5 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.451 -0.34 . . . . 2.34 110.361 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -67.51 -43.32 86.93 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.763 -0.732 . . . . 0.46 111.998 177.873 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.467 ' O ' HG13 ' A' ' 107' ' ' ILE . 54.3 tp -68.16 -42.8 79.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.546 0.213 . . . . 0.66 110.895 -179.64 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -56.08 -46.75 78.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.948 0.404 . . . . 0.45 110.933 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 96.3 t -65.4 -32.55 58.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.0 -0.545 . . . . 0.68 110.604 178.183 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 60.4 m -66.92 -42.11 85.92 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.232 -0.44 . . . . 0.68 110.683 176.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.467 HG13 ' O ' ' A' ' 103' ' ' LEU . 73.0 mt -68.78 -40.27 81.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.196 -0.456 . . . . 0.83 110.761 -178.884 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 41.9 t -80.16 -5.51 56.17 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.026 -0.533 . . . . 1.19 110.241 -179.564 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 24.7 mmt180 . . . . . 0 C--O 1.232 0.177 0 CA-C-N 115.346 -0.843 . . . . 5.77 111.412 178.867 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.8 t70 . . . . . 0 C--O 1.234 0.252 0 CA-C-O 121.193 0.521 . . . . 2.19 110.698 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -60.12 -28.66 87.44 Favored 'Trans proline' 0 C--N 1.348 0.532 0 C-N-CA 123.194 2.596 . . . . 1.45 112.935 -177.773 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 95.2 mt -57.74 -38.87 76.1 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.675 -0.239 . . . . 0.85 110.707 178.71 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 62.0 tt0 -62.01 -45.15 94.88 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-O 120.729 0.3 . . . . 2.75 110.989 177.615 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.93 -45.01 94.52 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.993 0.425 . . . . 0.71 110.658 179.447 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.461 HD21 ' HB2' ' A' ' 67' ' ' LEU . 51.3 tp -64.91 -37.78 88.78 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.969 -0.56 . . . . 1.09 110.879 177.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.436 ' O ' ' HG2' ' A' ' 22' ' ' GLN . 37.7 ttp180 -58.7 -37.84 76.98 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.827 -0.434 . . . . 3.33 109.827 177.486 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 68.7 ttt180 -63.74 -42.32 97.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.968 -0.56 . . . . 3.76 110.154 176.523 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.415 HH11 ' HD2' ' A' ' 20' ' ' ARG . 36.4 mtp85 -61.74 -42.34 98.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.805 -0.634 . . . . 4.04 110.781 175.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 89.5 m-20 -63.18 -39.08 93.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.465 -0.334 . . . . 1.34 111.368 178.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.436 ' HG2' ' O ' ' A' ' 18' ' ' ARG . 18.0 mm-40 -63.58 -32.27 73.68 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-O 121.237 0.542 . . . . 2.79 110.477 177.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.477 ' O ' ' HG3' ' A' ' 27' ' ' GLN . 35.8 tt0 -70.29 -44.43 68.37 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.57 -0.741 . . . . 2.14 109.622 178.737 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.608 HD11 ' ND2' ' A' ' 63' ' ' ASN . 97.3 mt -64.65 -40.19 95.01 Favored 'General case' 0 CA--C 1.516 -0.331 0 CA-C-N 115.717 -0.674 . . . . 0.68 110.93 178.31 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 53.4 tttm -58.14 -40.97 82.67 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.774 0.321 . . . . 1.9 110.412 179.759 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -64.56 -34.31 77.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.28 -0.418 . . . . 2.6 110.4 178.1 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.477 ' HG3' ' O ' ' A' ' 23' ' ' GLU . 74.6 mt-30 -69.23 -37.18 77.87 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.026 -0.534 . . . . 1.37 110.313 179.771 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 85.6 t -68.96 -46.65 78.6 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-N 116.199 -0.455 . . . . 0.4 110.316 179.02 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -60.0 -33.11 71.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.049 -0.523 . . . . 1.21 110.513 176.348 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 26.7 t -64.24 -42.61 96.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 1.3 110.134 177.327 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.462 HD11 HG23 ' A' ' 49' ' ' ILE . 44.5 tp -62.41 -47.08 85.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.08 -0.509 . . . . 1.14 110.202 177.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 94.5 mt -59.65 -33.02 71.01 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.601 -0.727 . . . . 0.67 110.904 177.706 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 32.4 t -62.64 -41.93 99.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.409 -0.36 . . . . 1.29 110.511 178.736 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -73.69 -40.46 63.62 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.306 0.574 . . . . 1.86 109.757 179.238 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 29.0 t -68.88 -10.04 54.88 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.245 -0.888 . . . . 1.33 111.453 -178.38 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 27.3 tt0 -96.64 -5.01 39.99 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.594 0.712 . . . . 2.91 109.78 -175.068 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 85.6 mt -88.74 153.38 21.14 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.643 -0.708 . . . . 0.95 110.307 -177.767 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 62.4 tttp -71.75 -29.98 65.1 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.111 -0.495 . . . . 3.61 110.148 178.741 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -68.02 -17.79 64.52 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.688 -0.687 . . . . 3.24 110.881 179.15 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -74.65 -13.38 60.63 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.074 -0.512 . . . . 1.2 111.642 -176.695 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 27.0 tp -85.45 3.69 39.03 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.419 0.628 . . . . 2.76 110.151 178.708 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.565 ' OE1' ' HD2' ' A' ' 43' ' ' PRO . 10.5 tp10 -81.45 119.2 75.01 Favored Pre-proline 0 C--N 1.324 -0.514 0 N-CA-C 108.86 -0.792 . . . . 3.43 108.86 175.36 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.565 ' HD2' ' OE1' ' A' ' 42' ' ' GLU . 82.7 Cg_exo -45.66 -42.51 19.0 Favored 'Trans proline' 0 C--N 1.352 0.715 0 C-N-CA 123.026 2.484 . . . . 1.63 114.203 -170.425 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 7.2 m-20 -59.81 -47.95 83.64 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 120.566 0.222 . . . . 1.75 111.182 -178.529 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.449 ' O ' HG13 ' A' ' 49' ' ' ILE . 0.0 OUTLIER -74.37 -37.84 63.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.981 0.42 . . . . 1.99 110.629 178.645 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 39.7 ttt180 -61.37 -43.35 99.02 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.514 -0.767 . . . . 3.72 111.092 -177.431 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.403 ' HG2' ' O ' ' A' ' 43' ' ' PRO . 11.7 mm100 -68.11 -31.66 71.42 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-O 120.989 0.423 . . . . 2.64 110.342 178.081 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 33.0 t60 -66.99 -34.54 77.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.034 -0.53 . . . . 1.02 109.842 177.324 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.462 HG23 HD11 ' A' ' 31' ' ' LEU . 70.3 mt -59.42 -41.7 85.34 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.144 0 CA-C-N 116.279 -0.419 . . . . 0.61 110.382 176.323 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 26.6 t80 -54.74 -40.92 69.79 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 116.098 -0.501 . . . . 0.46 111.236 176.278 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 59.5 tp60 -65.95 -44.11 85.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.872 0.368 . . . . 1.48 110.532 179.229 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.537 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 82.5 mtt180 -61.23 -36.71 80.68 Favored 'General case' 0 CA--C 1.52 -0.21 0 CA-C-O 121.003 0.43 . . . . 3.69 110.549 177.093 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 4.6 t -67.49 -42.32 83.11 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.482 -0.781 . . . . 0.54 109.909 -175.556 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 69.0 mt -59.95 -47.69 90.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.885 -0.598 . . . . 0.44 111.037 176.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 25.8 tm0? -63.15 -49.33 74.76 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.256 -0.429 . . . . 2.54 110.973 -176.515 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.537 ' HG ' ' O ' ' A' ' 52' ' ' ARG . 78.4 mt -59.91 -37.0 78.17 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.593 -0.276 . . . . 0.4 111.391 178.466 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 82.2 tttt -64.74 -39.44 93.63 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.961 0.41 . . . . 1.78 110.038 178.365 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 -63.56 -35.72 81.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.89 -0.595 . . . . 2.41 110.858 178.618 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -68.15 -40.11 82.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.27 -0.423 . . . . 0.26 111.018 179.496 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 65.7 mt -67.28 -42.31 87.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-O 120.933 0.397 . . . . 0.36 110.266 178.499 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -59.57 -39.76 85.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.851 -0.613 . . . . 0.64 110.2 178.166 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -61.35 -47.81 84.19 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.486 -0.779 . . . . 2.28 111.002 179.399 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ASN . . . . . 0.608 ' ND2' HD11 ' A' ' 24' ' ' LEU . 28.8 m-80 -69.89 -37.09 75.91 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.207 -0.451 . . . . 1.07 110.81 -179.736 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 81.7 tttt -60.26 -44.55 95.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.99 0.424 . . . . 1.48 110.125 174.609 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -67.53 -36.23 80.61 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.917 -0.583 . . . . 1.35 110.719 179.18 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -62.17 -44.22 97.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.092 0.472 . . . . 0.46 110.413 177.785 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.461 ' HB2' HD21 ' A' ' 17' ' ' LEU . 32.0 tp -64.04 -42.44 97.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.658 -0.701 . . . . 0.57 111.071 178.63 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -73.54 -24.12 60.09 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.066 0.46 . . . . 1.8 110.631 179.644 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 86.9 tttt . . . . . 0 C--N 1.33 -0.264 0 CA-C-O 121.419 0.628 . . . . 2.67 109.692 175.151 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 11.8 t80 . . . . . 0 CA--C 1.53 0.209 0 CA-C-O 120.897 0.38 . . . . 1.57 110.606 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -71.61 -45.76 61.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.015 0.436 . . . . 1.92 110.526 -178.635 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' GLN . . . . . 0.431 ' O ' ' HG2' ' A' ' 88' ' ' GLU . 48.1 mt-30 -68.58 -48.29 64.57 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.627 -0.715 . . . . 3.57 111.105 -176.055 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -63.53 -37.68 88.23 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.229 -0.441 . . . . 3.59 111.118 -175.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 35.7 ttmt -61.37 -46.31 90.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.067 0.46 . . . . 2.26 110.629 178.549 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -71.71 -35.56 70.26 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.04 -0.527 . . . . 2.94 111.161 -178.552 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.431 ' HG2' ' O ' ' A' ' 84' ' ' GLN . 63.6 mm-40 -58.01 -40.82 81.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.655 0.264 . . . . 2.99 111.402 -179.533 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -69.61 -35.14 75.01 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.811 -0.356 . . . . 1.83 110.368 179.534 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 9.4 m-70 -61.06 -46.88 88.9 Favored 'General case' 0 N--CA 1.464 0.259 0 N-CA-C 109.762 -0.458 . . . . 0.58 109.762 173.241 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 25.6 m -58.1 -43.13 86.95 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.639 -0.709 . . . . 0.79 111.245 -179.246 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.449 ' O ' ' HG ' ' A' ' 96' ' ' LEU . 60.5 tp -70.44 -52.4 22.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.53 111.233 -179.08 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 94.4 mt -66.27 -33.69 76.3 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.295 -0.412 . . . . 0.69 111.709 -173.782 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -68.21 -44.47 75.72 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.702 -0.399 . . . . 0.82 110.754 -177.63 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.447 ' O ' ' HG2' ' A' ' 99' ' ' GLN . 35.1 ttpt -60.7 -44.32 96.72 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.627 0.251 . . . . 2.25 110.615 177.048 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.449 ' HG ' ' O ' ' A' ' 92' ' ' LEU . 90.4 mt -58.81 -43.36 90.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.097 -0.501 . . . . 0.4 110.502 178.035 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 39.3 m -58.76 -43.36 90.32 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.851 0.357 . . . . 0.44 110.874 175.232 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 23.6 tt0 -66.54 -40.98 89.38 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.017 -0.538 . . . . 2.53 111.213 -177.735 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.447 ' HG2' ' O ' ' A' ' 95' ' ' LYS . 85.6 mm-40 -63.99 -45.19 90.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 2.3 110.764 -179.685 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 67.6 mt -66.94 -39.55 87.35 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.125 -0.489 . . . . 0.38 110.306 179.663 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 23.3 tm0? -61.8 -42.76 99.42 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.646 -0.706 . . . . 2.34 109.73 178.128 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -65.74 -45.8 86.86 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 121.015 -0.612 . . . . 0.46 112.282 179.041 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 63.2 tp -63.82 -45.19 90.7 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.852 0.358 . . . . 0.66 110.421 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -57.89 -46.68 84.54 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.785 -0.643 . . . . 0.45 111.186 -178.74 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 77.6 t -69.15 -37.91 77.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.37 -0.377 . . . . 0.68 111.105 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 97.1 m -61.48 -37.91 85.36 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.824 0.345 . . . . 0.68 111.211 179.219 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 77.2 mt -75.68 -32.86 25.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 121.144 0.497 . . . . 0.83 110.702 177.524 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 43.0 t -77.73 -17.16 57.88 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.073 -0.512 . . . . 1.19 110.746 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 40.0 ttp180 . . . . . 0 C--N 1.323 -0.574 0 CA-C-O 121.279 0.561 . . . . 5.77 110.19 -177.538 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 . . . . . 0 N--CA 1.455 -0.205 0 N-CA-C 110.276 -0.268 . . . . 2.19 110.276 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 25.7 Cg_exo -62.27 -29.9 80.7 Favored 'Trans proline' 0 C--N 1.343 0.26 0 C-N-CA 122.31 2.007 . . . . 1.45 110.837 177.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 67.9 mt -65.86 -32.46 73.99 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.074 -0.967 . . . . 0.85 110.781 177.865 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -65.33 -47.08 77.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.992 0.425 . . . . 2.75 110.343 178.68 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.38 -44.19 88.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.979 -0.555 . . . . 0.71 110.472 178.587 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 56.6 tp -64.09 -43.97 93.76 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.926 -0.579 . . . . 1.09 111.087 179.19 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 35.3 ttm180 -59.41 -37.93 79.31 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.683 0.277 . . . . 3.33 111.123 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.417 HH11 ' HD3' ' A' ' 19' ' ' ARG . 43.9 ttp180 -60.01 -43.81 94.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.208 0.527 . . . . 3.76 109.683 175.713 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 92.3 mtt180 -69.27 -38.03 78.18 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.357 -0.838 . . . . 4.04 111.324 177.84 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 -64.41 -41.07 96.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.48 0.181 . . . . 1.34 110.752 177.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 49.5 tt0 -66.78 -30.13 70.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.903 0.383 . . . . 2.79 110.006 176.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -63.97 -46.38 84.88 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.204 -0.665 . . . . 2.14 109.204 177.509 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.479 ' O ' HG23 ' A' ' 28' ' ' VAL . 88.3 mt -69.65 -38.93 77.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.564 -0.744 . . . . 0.68 110.836 177.531 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 63.7 tttm -60.21 -40.57 90.56 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.459 -0.337 . . . . 1.9 110.794 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 56.0 tt0 -64.88 -35.47 81.23 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.185 0.516 . . . . 2.6 110.022 177.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -70.66 -34.43 72.03 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.673 -0.694 . . . . 1.37 110.704 179.406 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.479 HG23 ' O ' ' A' ' 24' ' ' LEU . 71.9 t -67.33 -48.31 78.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.486 -0.324 . . . . 0.4 110.279 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -62.98 -36.88 84.99 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.429 -0.35 . . . . 1.21 111.05 178.229 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 9.0 t -66.22 -38.03 86.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.99 0.424 . . . . 1.3 110.034 178.497 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -63.61 -45.99 87.8 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.377 -0.601 . . . . 1.14 109.377 177.886 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 97.0 mt -60.34 -33.58 72.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.935 -0.575 . . . . 0.67 110.961 177.032 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 40.7 m -62.67 -40.04 95.83 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.224 -0.444 . . . . 1.29 110.635 179.704 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -75.89 -35.62 59.78 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.086 0.469 . . . . 1.86 110.254 178.511 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 11.5 t -68.09 -10.29 52.78 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.591 -0.731 . . . . 1.33 110.763 -179.35 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -98.14 -8.82 26.84 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-O 121.487 0.661 . . . . 2.91 109.495 -175.547 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 87.0 mt -78.7 135.48 37.18 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.466 -0.788 . . . . 0.95 110.569 -177.134 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 58.4 mtpt -70.74 -29.47 65.73 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.347 -0.842 . . . . 3.61 110.613 -179.532 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -73.15 -18.19 61.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.992 -0.549 . . . . 3.24 110.229 176.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -76.77 -0.45 23.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.296 -0.411 . . . . 1.2 110.766 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 58.8 tp -67.41 -14.62 63.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.76 -0.655 . . . . 2.76 109.985 173.836 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.454 ' HG3' ' H ' ' A' ' 45' ' ' LYS . 11.8 tp10 -52.14 115.86 7.47 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-N 115.496 -0.775 . . . . 3.43 110.062 174.047 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.423 ' HD2' ' OE1' ' A' ' 42' ' ' GLU . 69.9 Cg_exo -51.28 -31.01 35.5 Favored 'Trans proline' 0 C--N 1.354 0.842 0 C-N-CA 122.907 2.405 . . . . 1.63 112.732 179.798 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 88.8 m-20 -69.57 -47.82 62.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.507 -0.315 . . . . 1.75 110.249 178.482 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.454 ' H ' ' HG3' ' A' ' 42' ' ' GLU . 23.4 tptm -66.88 -34.47 77.86 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.574 -0.285 . . . . 1.99 110.956 178.7 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 60.6 mtp180 -58.0 -41.13 82.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.666 0.269 . . . . 3.72 110.81 177.887 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 85.8 mm-40 -67.89 -33.32 74.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.924 0.392 . . . . 2.64 110.505 177.481 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 28.0 t60 -68.07 -41.59 81.72 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.109 -0.496 . . . . 1.02 109.944 177.596 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.402 HG13 ' O ' ' A' ' 45' ' ' LYS . 74.2 mt -66.12 -45.16 91.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.61 109.931 178.461 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 51.2 t80 -54.17 -41.19 68.25 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.92 -0.582 . . . . 0.46 111.519 176.567 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 48.3 tp60 -65.67 -45.97 80.89 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.78 0.324 . . . . 1.48 110.999 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.556 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 36.3 mmt180 -67.95 -32.11 72.31 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.758 0.313 . . . . 3.69 111.047 -179.758 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 36.6 t -67.12 -44.02 80.96 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.112 -0.495 . . . . 0.54 110.006 179.373 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 65.1 mt -58.78 -44.56 90.52 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 115.977 -0.556 . . . . 0.44 111.033 175.43 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 40.4 tt0 -61.17 -48.96 79.14 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.81 -0.632 . . . . 2.54 110.814 -176.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.556 ' HG ' ' O ' ' A' ' 52' ' ' ARG . 71.5 mt -61.37 -39.43 90.61 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.368 -0.378 . . . . 0.4 111.287 178.543 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 41.7 tttp -59.18 -45.07 92.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.98 0.419 . . . . 1.78 110.563 179.198 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 81.3 mt-30 -65.9 -34.39 78.02 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.897 -0.592 . . . . 2.41 111.242 177.266 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -68.62 -38.66 80.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.882 0.373 . . . . 0.26 110.881 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.485 HG13 ' O ' ' A' ' 56' ' ' LEU . 75.3 mt -69.19 -39.64 79.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 121.024 0.44 . . . . 0.36 110.041 178.062 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -60.07 -36.73 78.01 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 115.71 -0.677 . . . . 0.64 109.966 176.835 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -62.15 -47.0 86.49 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.34 -0.845 . . . . 2.28 110.691 176.055 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -64.18 -38.96 92.94 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.453 -0.339 . . . . 1.07 110.676 177.499 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -58.12 -45.0 88.05 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.041 -0.527 . . . . 1.48 110.639 176.78 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 65.8 m-20 -67.93 -37.65 81.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.298 -0.41 . . . . 1.35 111.082 178.594 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -63.01 -46.96 85.18 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.012 0.434 . . . . 0.46 110.434 177.09 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 41.5 tp -65.21 -36.87 85.51 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.944 -0.571 . . . . 0.57 110.669 178.416 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -59.3 -31.67 69.35 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.424 -0.353 . . . . 1.8 111.189 175.828 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 51.7 tptt . . . . . 0 C--N 1.325 -0.499 0 CA-C-O 121.595 0.712 . . . . 2.67 109.66 176.711 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 6.8 t80 . . . . . 0 C--O 1.234 0.241 0 CA-C-O 120.87 0.367 . . . . 1.57 110.017 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -70.87 -34.76 71.94 Favored 'General case' 0 CA--C 1.518 -0.254 0 CA-C-N 116.128 -0.487 . . . . 1.92 110.269 178.319 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -65.42 -44.58 86.92 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.913 -0.585 . . . . 3.57 109.785 177.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.41 ' O ' ' HG2' ' A' ' 89' ' ' GLU . 55.5 ttp180 -63.33 -38.17 90.13 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.991 -0.549 . . . . 3.59 110.501 -177.529 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 24.3 ttmm -71.07 -35.61 71.95 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.265 0.555 . . . . 2.26 110.247 177.456 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.432 ' O ' ' HB2' ' A' ' 90' ' ' HIS . 42.3 tt0 -70.1 -45.09 67.66 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.386 -0.824 . . . . 2.94 111.633 -178.488 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -64.46 -30.25 71.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.634 -0.257 . . . . 2.99 111.416 -175.698 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.41 ' HG2' ' O ' ' A' ' 85' ' ' ARG . 22.4 mm-40 -62.43 -37.74 87.0 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.983 -0.377 . . . . 1.83 109.983 175.033 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' HIS . . . . . 0.432 ' HB2' ' O ' ' A' ' 87' ' ' GLU . 15.4 m-70 -61.38 -44.69 96.72 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.194 -0.457 . . . . 0.58 110.13 175.483 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 8.7 m -62.05 -38.84 90.28 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.779 -0.646 . . . . 0.79 111.015 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 66.8 tp -69.9 -49.46 51.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.53 110.65 -177.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 96.3 mt -63.87 -33.81 76.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.69 111.208 -176.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -69.02 -45.69 69.87 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.781 -0.368 . . . . 0.82 110.642 -179.562 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 76.3 tttt -59.52 -49.62 77.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.469 -0.332 . . . . 2.25 111.838 177.348 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 87.4 mt -59.36 -44.27 92.71 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.512 -0.313 . . . . 0.4 110.723 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 58.4 m -59.47 -45.56 91.3 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.693 0.282 . . . . 0.44 111.004 175.409 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -63.35 -47.22 83.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.15 -0.477 . . . . 2.53 111.166 -178.105 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -62.18 -41.61 98.48 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.749 -0.659 . . . . 2.3 111.176 -176.801 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 72.2 mt -71.84 -41.77 67.73 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.39 -0.368 . . . . 0.38 110.961 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 24.1 tm0? -61.58 -44.4 97.08 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.461 -0.336 . . . . 2.34 110.2 -179.33 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -65.89 -42.16 95.08 Favored Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.572 -0.823 . . . . 0.46 111.997 177.426 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.454 ' O ' HG13 ' A' ' 107' ' ' ILE . 65.8 tp -65.73 -45.6 82.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.542 0.211 . . . . 0.66 111.214 -179.429 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -55.91 -47.37 77.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.243 -0.435 . . . . 0.45 111.258 -177.343 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 84.6 t -65.18 -35.52 75.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.989 0.423 . . . . 0.68 110.587 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 84.7 m -64.22 -42.11 96.73 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.718 -0.673 . . . . 0.68 111.091 178.382 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.454 HG13 ' O ' ' A' ' 103' ' ' LEU . 71.3 mt -70.81 -40.92 77.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.83 111.263 -177.62 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 35.2 p -83.17 -10.62 58.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.157 0.503 . . . . 1.19 110.822 -176.601 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 25.6 mmm180 . . . . . 0 C--O 1.232 0.134 0 CA-C-N 115.085 -0.962 . . . . 5.77 111.307 178.513 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 . . . . . 0 C--O 1.232 0.18 0 N-CA-C 111.628 0.233 . . . . 2.19 111.628 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 16.8 Cg_exo -64.86 -39.67 24.56 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.791 2.327 . . . . 1.45 111.249 177.343 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 57.4 mt -60.75 -35.7 77.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.081 -0.963 . . . . 0.85 110.939 -178.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -65.87 -39.31 90.57 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 116.627 -0.26 . . . . 2.75 110.992 179.689 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.89 -46.22 75.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.821 0.343 . . . . 0.71 110.778 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 57.0 tp -61.42 -37.21 82.69 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.887 -0.597 . . . . 1.09 111.065 174.744 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 30.3 ttm180 -59.53 -32.91 70.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.376 -0.375 . . . . 3.33 111.054 -179.562 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 20.1 mmm180 -59.16 -42.26 90.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.133 0.492 . . . . 3.76 110.039 174.305 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.659 ' HG3' HD21 ' A' ' 63' ' ' ASN . 32.0 tpt180 -70.92 -36.82 72.82 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.689 -0.687 . . . . 4.04 110.743 176.835 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 -64.13 -39.07 93.24 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-O 120.979 0.419 . . . . 1.34 110.58 175.447 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.531 ' O ' ' HG3' ' A' ' 26' ' ' GLN . 65.2 tt0 -62.1 -31.57 72.04 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.885 -0.598 . . . . 2.79 110.221 176.455 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -69.96 -38.22 76.04 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.585 -0.734 . . . . 2.14 109.154 179.422 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.449 ' O ' HG23 ' A' ' 28' ' ' VAL . 81.8 mt -68.99 -39.64 79.26 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.822 -0.626 . . . . 0.68 110.248 176.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.6 mmmp? -57.19 -46.77 82.55 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-N 116.528 -0.306 . . . . 1.9 110.803 178.456 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.531 ' HG3' ' O ' ' A' ' 22' ' ' GLN . 26.1 mt-30 -59.53 -38.84 82.06 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.081 -0.508 . . . . 2.6 110.647 -179.606 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 -73.28 -35.62 66.2 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.058 -0.519 . . . . 1.37 111.412 -177.802 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.449 HG23 ' O ' ' A' ' 24' ' ' LEU . 70.2 t -68.92 -46.69 78.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-O 120.935 0.397 . . . . 0.4 110.132 -179.68 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -61.06 -36.05 78.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.961 -0.563 . . . . 1.21 110.359 177.018 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 66.6 m -64.82 -37.72 88.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.36 -0.382 . . . . 1.3 110.614 176.237 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.482 HD11 HG23 ' A' ' 49' ' ' ILE . 36.1 tp -64.22 -44.38 92.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 1.14 110.278 -179.749 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 96.0 mt -61.69 -38.39 87.66 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.038 -0.528 . . . . 0.67 110.472 177.398 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.589 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 50.9 m -65.14 -35.2 80.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.917 -0.583 . . . . 1.29 110.973 179.592 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -74.93 -39.92 61.11 Favored 'General case' 0 CA--C 1.52 -0.182 0 CA-C-O 121.037 0.446 . . . . 1.86 109.966 179.542 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 26.7 t -65.32 -11.14 38.82 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.749 -0.66 . . . . 1.33 110.962 179.341 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 25.7 tp60 -104.0 -11.13 17.58 Favored 'General case' 0 N--CA 1.449 -0.513 0 N-CA-C 109.595 -0.52 . . . . 2.91 109.595 -175.21 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.589 ' HG ' ' O ' ' A' ' 33' ' ' SER . 94.9 mt -76.32 135.77 39.57 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.669 -0.696 . . . . 0.95 110.629 -177.608 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 58.0 mttp -72.26 -29.86 64.31 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.408 -0.815 . . . . 3.61 110.444 179.618 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -70.36 -27.67 64.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.831 -0.622 . . . . 3.24 110.188 175.858 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -90.71 0.7 57.33 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.714 -0.676 . . . . 1.2 111.025 -177.755 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 29.4 tp -86.53 25.1 1.28 Allowed 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.801 0.81 . . . . 2.76 109.969 179.249 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -87.12 153.41 54.18 Favored Pre-proline 0 C--N 1.324 -0.522 0 CA-C-N 115.227 -0.897 . . . . 3.43 109.812 177.411 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_endo -54.48 -50.37 13.67 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.313 2.009 . . . . 1.63 113.913 -171.826 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 17.2 m120 -73.79 -30.94 63.03 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-O 120.59 0.233 . . . . 1.75 111.52 -171.62 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.453 ' O ' HG13 ' A' ' 49' ' ' ILE . 58.3 tptt -61.82 -32.24 72.54 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.669 -0.241 . . . . 1.99 110.561 178.683 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 83.5 mtm180 -59.47 -40.09 85.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.447 -0.342 . . . . 3.72 110.515 177.912 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -66.36 -38.38 87.46 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-O 121.036 0.446 . . . . 2.64 110.282 178.018 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 4.7 t60 -69.6 -38.26 77.21 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.737 -0.665 . . . . 1.02 110.228 -178.473 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.482 HG23 HD11 ' A' ' 31' ' ' LEU . 74.4 mt -66.35 -46.04 87.99 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.445 -0.343 . . . . 0.61 110.4 178.712 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 81.2 t80 -54.57 -41.47 69.89 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.4 -0.364 . . . . 0.46 110.927 176.001 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 55.7 tp60 -69.64 -40.33 76.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.869 0.366 . . . . 1.48 110.457 178.568 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.47 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 27.2 tpt180 -63.48 -31.79 73.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.228 -0.442 . . . . 3.69 110.09 178.461 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.448 ' SG ' ' HB2' ' A' ' 104' ' ' ALA . 42.8 t -66.59 -45.54 78.9 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.629 -0.714 . . . . 0.54 109.919 178.109 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 57.9 mt -59.85 -41.33 85.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.971 -0.559 . . . . 0.44 111.06 178.854 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -61.81 -51.03 69.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.465 -0.334 . . . . 2.54 111.222 -179.668 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.47 ' HG ' ' O ' ' A' ' 52' ' ' ARG . 68.2 mt -60.6 -37.89 82.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 0.4 111.558 177.424 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 39.7 ttpt -64.25 -38.6 91.62 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.015 0.436 . . . . 1.78 110.097 179.295 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 24.6 tp60 -63.94 -39.49 94.28 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.728 -0.669 . . . . 2.41 110.297 176.029 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.78 -39.67 93.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.289 -0.414 . . . . 0.26 111.213 178.538 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.451 HG13 ' O ' ' A' ' 56' ' ' LEU . 75.9 mt -64.25 -43.6 97.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.997 0.427 . . . . 0.36 110.348 177.88 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -64.51 -36.09 83.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.784 -0.644 . . . . 0.64 110.132 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -62.39 -45.9 91.05 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.843 -0.617 . . . . 2.28 110.292 176.461 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ASN . . . . . 0.659 HD21 ' HG3' ' A' ' 20' ' ' ARG . 6.6 m-20 -63.74 -39.22 93.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.915 -0.584 . . . . 1.07 110.376 176.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 83.4 tttt -59.57 -41.24 89.72 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.93 -0.577 . . . . 1.48 110.3 178.138 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 31.3 m-80 -66.89 -46.23 75.54 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.324 -0.398 . . . . 1.35 110.879 176.035 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -61.17 -39.11 88.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.107 -0.497 . . . . 0.46 110.842 179.663 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 50.6 tp -69.12 -40.77 78.1 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.894 -0.594 . . . . 0.57 111.069 179.18 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 64.3 tt0 -60.2 -33.26 71.99 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.089 0.471 . . . . 1.8 110.827 176.541 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 25.8 tptp . . . . . 0 C--N 1.325 -0.496 0 CA-C-O 121.356 0.598 . . . . 2.67 110.414 179.405 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 31.9 t80 . . . . . 0 N--CA 1.464 0.228 0 CA-C-O 120.947 0.404 . . . . 1.57 109.948 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -67.34 -46.37 73.61 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.919 -0.582 . . . . 1.92 110.799 -176.214 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 26.9 mm-40 -70.72 -40.73 72.63 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.251 -0.431 . . . . 3.57 111.107 -179.74 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 24.3 tpp180 -63.1 -36.52 83.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.185 -0.462 . . . . 3.59 110.178 -179.445 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 36.0 ttmt -63.98 -38.69 92.0 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.797 -0.638 . . . . 2.26 110.747 177.87 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 44.4 mm-40 -71.89 -38.54 69.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 2.94 110.801 -179.707 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -59.61 -38.56 81.6 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.042 0.449 . . . . 2.99 110.286 176.712 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -65.86 -37.19 85.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.668 -0.696 . . . . 1.83 109.458 178.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 9.0 m-70 -63.83 -42.74 97.56 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 115.886 -0.597 . . . . 0.58 110.337 175.105 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 22.5 m -63.12 -34.95 78.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.79 111.558 -177.507 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.472 ' O ' ' HG ' ' A' ' 96' ' ' LEU . 65.2 tp -69.25 -51.42 37.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.824 0.345 . . . . 0.53 110.354 -179.178 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 95.3 mt -66.52 -32.88 74.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.109 -0.496 . . . . 0.69 110.787 -179.086 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -64.95 -44.98 87.65 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.972 -0.558 . . . . 0.82 111.113 -178.449 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 61.4 tttp -66.98 -39.9 87.3 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.644 0.259 . . . . 2.25 110.797 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.472 ' HG ' ' O ' ' A' ' 92' ' ' LEU . 86.5 mt -58.49 -40.95 84.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.403 -0.362 . . . . 0.4 110.288 176.003 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 31.1 m -58.98 -46.22 88.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.379 -0.373 . . . . 0.44 110.813 175.266 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -61.41 -47.09 87.37 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 116.167 -0.47 . . . . 2.53 111.255 -177.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -65.43 -46.02 81.57 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.797 -0.638 . . . . 2.3 111.443 -176.176 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 59.6 mt -64.71 -45.88 84.71 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.739 0.304 . . . . 0.38 110.655 -179.331 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 21.6 tm0? -62.63 -38.64 91.03 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.84 -0.618 . . . . 2.34 110.356 179.558 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -68.01 -45.61 71.63 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.925 -0.655 . . . . 0.46 111.936 178.154 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.44 ' O ' HG13 ' A' ' 107' ' ' ILE . 61.3 tp -65.27 -40.55 94.07 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.681 0.277 . . . . 0.66 110.73 -179.367 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.448 ' HB2' ' SG ' ' A' ' 53' ' ' CYS . . . -55.26 -43.26 74.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.071 -0.513 . . . . 0.45 110.94 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 84.7 t -67.35 -36.15 75.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 115.805 -0.634 . . . . 0.68 110.926 179.482 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 26.3 m -64.95 -39.34 93.35 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.004 0.43 . . . . 0.68 110.963 178.58 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.44 HG13 ' O ' ' A' ' 103' ' ' LEU . 67.5 mt -70.28 -40.3 77.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 0.83 111.198 -178.351 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 8.3 p -83.86 -17.52 40.6 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.174 -0.466 . . . . 1.19 110.669 -177.494 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 43.8 mtp180 . . . . . 0 C--O 1.237 0.419 0 CA-C-N 115.304 -0.862 . . . . 5.77 112.368 176.33 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.96 0 N-CA-C 111.724 -0.55 . . . . 15.85 111.724 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 89.7 Cg_endo -86.43 26.78 0.61 Allowed 'Trans proline' 0 N--CA 1.461 -0.398 0 C-N-CA 122.969 2.446 . . . . 16.1 112.923 -178.527 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 88.1 mtp -127.8 30.76 5.24 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.23 0.538 . . . . 14.03 110.166 178.55 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -81.79 52.81 2.01 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.845 -0.616 . . . . 12.6 111.192 -177.495 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 25.7 ptt? -155.67 44.73 0.46 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.407 0.622 . . . . 12.35 110.131 179.138 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 74.5 mt -75.93 113.96 14.02 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.613 -0.722 . . . . 9.95 110.396 -178.6 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -83.18 -16.07 48.06 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.309 -0.405 . . . . 8.65 111.08 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 31.9 tpt180 -65.84 -66.32 0.56 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.988 -0.551 . . . . 9.34 110.969 -179.645 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 64.1 mtp180 56.05 57.52 5.03 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-O 121.349 0.595 . . . . 8.86 110.922 179.347 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 27.6 tt0 -84.01 79.14 9.6 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.436 -0.802 . . . . 6.88 110.343 -179.147 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 31.5 ttp180 -80.29 -59.0 2.87 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.681 -0.69 . . . . 6.91 111.022 -179.496 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.446 ' HA ' ' HD3' ' A' ' 13' ' ' PRO . 68.3 m-20 -64.81 128.08 93.26 Favored Pre-proline 0 C--N 1.324 -0.529 0 CA-C-N 115.364 -0.834 . . . . 2.19 111.361 -172.312 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.446 ' HD3' ' HA ' ' A' ' 12' ' ' ASP . 38.2 Cg_exo -56.53 -28.69 75.25 Favored 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 123.314 2.676 . . . . 1.45 111.81 177.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 73.2 mt -57.55 -41.7 81.51 Favored 'General case' 0 C--O 1.225 -0.204 0 CA-C-N 115.929 -0.578 . . . . 0.85 110.853 178.022 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 7.7 tp-100 -68.46 -44.96 73.7 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.638 0.256 . . . . 2.75 110.814 -178.86 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.13 -45.18 94.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.194 0.521 . . . . 0.71 110.683 177.847 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 42.7 tp -65.99 -42.27 90.02 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.514 -0.766 . . . . 1.09 110.998 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 67.2 mtt180 -59.3 -37.47 77.8 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 120.497 0.189 . . . . 3.33 111.109 179.124 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 57.6 ttp180 -59.26 -46.0 89.69 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.224 0.535 . . . . 3.76 109.86 176.245 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 67.1 ttt180 -68.67 -38.97 80.8 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.606 -0.725 . . . . 4.04 111.156 177.691 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 90.0 m-20 -62.71 -39.44 94.04 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 120.643 0.258 . . . . 1.34 110.911 178.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.436 ' O ' ' HG3' ' A' ' 26' ' ' GLN . 47.6 tp60 -64.01 -32.88 74.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.163 0.506 . . . . 2.79 109.865 177.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -71.96 -38.46 69.75 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.553 -0.749 . . . . 2.14 109.787 179.534 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.402 ' O ' HG23 ' A' ' 28' ' ' VAL . 82.7 mt -62.3 -43.5 98.69 Favored 'General case' 0 CA--C 1.518 -0.285 0 CA-C-N 116.102 -0.499 . . . . 0.68 110.075 175.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 55.7 tttm -59.02 -42.74 90.87 Favored 'General case' 0 N--CA 1.455 -0.181 0 CA-C-N 116.381 -0.372 . . . . 1.9 110.697 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.436 ' HG3' ' O ' ' A' ' 22' ' ' GLN . 79.6 mt-30 -61.37 -35.35 77.23 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.936 0.398 . . . . 2.6 110.682 179.513 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 -72.17 -34.66 68.62 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.055 -0.52 . . . . 1.37 110.566 178.101 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.402 HG23 ' O ' ' A' ' 24' ' ' LEU . 69.4 t -68.05 -46.1 82.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-O 120.884 0.373 . . . . 0.4 110.051 178.232 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 41.7 m-20 -58.68 -35.77 73.12 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.034 -0.53 . . . . 1.21 110.331 176.261 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 13.5 t -69.62 -37.53 76.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.721 -0.672 . . . . 1.3 110.439 178.841 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.41 HD11 HG23 ' A' ' 49' ' ' ILE . 62.3 tp -65.87 -44.94 83.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.013 0.435 . . . . 1.14 109.924 178.2 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.499 ' HA ' ' OG ' ' A' ' 35' ' ' SER . 95.5 mt -60.39 -32.71 71.58 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.602 -0.726 . . . . 0.67 110.626 175.822 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.592 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 32.5 t -61.89 -32.66 73.05 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.309 -0.405 . . . . 1.29 110.461 176.601 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 36.9 mm-40 -73.24 -46.71 48.56 Favored 'General case' 0 C--O 1.227 -0.126 0 N-CA-C 109.886 -0.412 . . . . 1.86 109.886 176.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.499 ' OG ' ' HA ' ' A' ' 32' ' ' LEU . 26.7 p -65.35 -8.72 19.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.07 -0.514 . . . . 1.33 111.605 179.764 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 22.0 tp60 -100.26 -8.79 23.08 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.225 0.536 . . . . 2.91 109.674 -175.755 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.592 ' HG ' ' O ' ' A' ' 33' ' ' SER . 84.3 mt -83.44 143.28 30.37 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.708 -0.678 . . . . 0.95 110.445 -177.372 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 37.5 mtmm -71.89 -28.88 63.8 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.985 -0.552 . . . . 3.61 110.607 176.613 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -68.28 -18.52 64.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.338 0.589 . . . . 3.24 110.182 176.55 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.412 ' HA ' ' HG2' ' A' ' 45' ' ' LYS . . . -77.08 0.02 22.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.111 -0.495 . . . . 1.2 111.146 179.508 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 44.9 tp -71.59 -14.26 62.02 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.883 -0.599 . . . . 2.76 110.064 174.582 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -57.13 126.08 72.48 Favored Pre-proline 0 C--O 1.233 0.232 0 CA-C-N 115.776 -0.647 . . . . 3.43 110.004 175.789 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -51.66 -39.62 65.91 Favored 'Trans proline' 0 C--N 1.352 0.721 0 C-N-CA 123.269 2.646 . . . . 1.63 113.093 -178.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -68.43 -38.56 81.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.564 0.221 . . . . 1.75 111.417 -178.856 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.412 ' HG2' ' HA ' ' A' ' 40' ' ' ALA . 4.3 tppp? -62.24 -31.12 71.63 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.503 -0.317 . . . . 1.99 110.967 -177.51 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 24.1 mmm180 -57.89 -42.61 84.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.716 0.293 . . . . 3.72 110.533 -179.155 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -70.11 -33.72 72.21 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.098 0.475 . . . . 2.64 110.417 179.408 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 47.3 t60 -69.69 -38.82 77.15 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.725 -0.67 . . . . 1.02 110.358 -179.223 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.41 HG23 HD11 ' A' ' 31' ' ' LEU . 79.8 mt -67.78 -42.66 86.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 N-CA-C 109.593 -0.521 . . . . 0.61 109.593 175.831 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.44 ' CE2' ' HB2' ' A' ' 108' ' ' SER . 38.5 t80 -54.46 -41.15 69.15 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 115.471 -0.786 . . . . 0.46 111.124 176.565 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 51.6 tt0 -67.36 -45.94 74.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.819 0.342 . . . . 1.48 110.742 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.437 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 95.2 mtt180 -61.41 -34.23 75.03 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.221 -0.445 . . . . 3.69 110.911 178.524 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.478 ' SG ' ' HB2' ' A' ' 104' ' ' ALA . 48.6 t -67.78 -45.31 75.18 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.619 -0.719 . . . . 0.54 110.027 -177.872 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 63.9 mt -61.59 -40.79 87.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.01 -0.541 . . . . 0.44 111.029 178.657 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -61.82 -50.71 71.2 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.294 -0.412 . . . . 2.54 111.274 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.437 ' HG ' ' O ' ' A' ' 52' ' ' ARG . 73.1 mt -62.17 -40.42 95.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.62 -0.264 . . . . 0.4 111.592 177.618 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 65.8 tttp -62.32 -39.68 93.85 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.013 0.435 . . . . 1.78 110.168 179.562 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 55.7 tp60 -64.19 -37.27 86.87 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.821 -0.627 . . . . 2.41 110.55 176.062 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -68.92 -43.5 75.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.26 111.052 -179.771 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.424 HG13 ' O ' ' A' ' 56' ' ' LEU . 70.8 mt -65.04 -41.72 92.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.866 0.365 . . . . 0.36 110.642 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -63.95 -36.5 84.15 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.226 -0.443 . . . . 0.64 110.039 178.753 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -62.27 -45.29 93.95 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.506 -0.77 . . . . 2.28 110.396 176.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -64.86 -38.44 91.0 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.291 -0.413 . . . . 1.07 110.623 176.853 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -62.11 -39.22 91.8 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.982 -0.554 . . . . 1.48 110.027 177.342 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 89.5 m-20 -67.14 -42.5 84.31 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.21 -0.45 . . . . 1.35 110.553 176.778 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -62.38 -45.77 91.64 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.969 -0.56 . . . . 0.46 110.462 177.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 49.4 tp -60.81 -40.02 91.15 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.829 -0.623 . . . . 0.57 111.092 179.758 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -68.15 -33.12 73.89 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.462 -0.335 . . . . 1.8 111.098 178.011 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 55.6 tptt -77.66 -29.74 51.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.939 0.4 . . . . 2.67 110.401 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -87.81 52.52 2.5 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.513 0.673 . . . . 2.13 110.467 177.368 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 49.7 m -122.31 64.95 0.94 Allowed 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.439 -0.801 . . . . 3.1 109.019 175.374 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 45.5 pttt -75.57 77.62 2.58 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.464 -0.789 . . . . 6.17 111.606 -175.638 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -74.82 -21.48 59.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.488 . . . . 4.6 111.101 178.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 28.8 m-20 -71.0 -22.29 62.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.181 0.515 . . . . 6.87 110.0 177.816 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -97.39 148.76 22.85 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.821 -0.627 . . . . 6.68 109.389 176.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 3.2 p -79.26 66.1 4.61 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.003 0.43 . . . . 5.08 110.837 179.263 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.486 ' H ' ' CD ' ' A' ' 78' ' ' PRO . . . -119.42 -46.82 0.04 OUTLIER Pre-proline 0 CA--C 1.538 0.487 0 CA-C-N 116.03 -0.532 . . . . 4.62 112.423 -179.064 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.486 ' CD ' ' H ' ' A' ' 77' ' ' ALA . 38.0 Cg_exo -63.1 95.6 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 C-N-CA 122.118 1.879 . . . . 3.94 112.513 178.738 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 47.3 t -116.31 105.02 17.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.344 -0.389 . . . . 3.47 110.85 178.352 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . 48.28 -91.27 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 113.51 0.93 . . . . 2.32 113.51 172.589 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -61.15 -25.23 66.86 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 120.794 0.331 . . . . 2.86 111.211 -177.113 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 31.3 t80 -61.69 -47.08 86.92 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.155 -0.475 . . . . 1.57 109.785 177.502 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.431 ' OD1' ' HB3' ' A' ' 78' ' ' PRO . 91.2 m-20 -72.74 -30.06 63.86 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.233 -0.44 . . . . 1.92 110.886 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 60.0 tp60 -65.46 -50.47 65.24 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.848 -0.615 . . . . 3.57 110.485 177.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -63.48 -36.74 84.77 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.3 -0.409 . . . . 3.59 110.472 179.722 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 20.3 ttmm -61.12 -41.96 97.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.791 -0.64 . . . . 2.26 110.909 178.278 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.43 ' O ' ' HB2' ' A' ' 90' ' ' HIS . 5.0 tp10 -72.5 -42.16 65.14 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.437 -0.347 . . . . 2.94 111.045 -179.448 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -63.62 -31.17 72.26 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.464 -0.334 . . . . 2.99 110.888 179.321 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 23.1 tp10 -66.6 -36.24 82.15 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.688 -0.486 . . . . 1.83 109.688 178.243 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' HIS . . . . . 0.43 ' HB2' ' O ' ' A' ' 87' ' ' GLU . 9.2 m-70 -58.57 -41.04 84.78 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 115.885 -0.598 . . . . 0.58 110.287 174.157 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 20.0 m -62.51 -43.19 99.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.933 -0.576 . . . . 0.79 111.564 -177.203 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 57.7 tp -70.16 -50.92 35.51 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 116.439 -0.346 . . . . 0.53 110.788 -177.477 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 97.5 mt -63.37 -33.59 75.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.052 -0.522 . . . . 0.69 110.928 -177.766 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -68.03 -45.18 74.68 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.431 -0.349 . . . . 0.82 110.794 -177.56 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 40.4 ttpt -60.67 -43.99 97.0 Favored 'General case' 0 CA--C 1.519 -0.215 0 C-N-CA 121.069 -0.252 . . . . 2.25 110.702 178.02 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 92.8 mt -59.53 -40.63 87.82 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.222 -0.444 . . . . 0.4 110.513 176.424 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 28.2 m -58.17 -48.52 80.04 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.675 0.274 . . . . 0.44 110.945 174.646 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' GLN . . . . . 0.415 ' HA ' ' OE1' ' A' ' 98' ' ' GLN . 13.0 mm-40 -68.56 -35.41 77.37 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.323 -0.398 . . . . 2.53 111.139 -178.474 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -59.23 -47.28 85.92 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.069 -0.514 . . . . 2.3 110.137 178.048 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.429 ' HB3' ' SG ' ' A' ' 53' ' ' CYS . 87.9 mt -71.11 -45.19 64.13 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.686 -0.688 . . . . 0.38 110.834 179.546 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 22.7 tm0? -60.86 -44.47 96.98 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.135 -0.484 . . . . 2.34 110.717 -176.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -64.8 -43.58 95.97 Favored Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 120.705 -0.76 . . . . 0.46 111.756 178.491 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.41 ' O ' HG13 ' A' ' 107' ' ' ILE . 58.0 tp -65.61 -44.18 87.34 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.596 0.236 . . . . 0.66 110.605 179.594 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.478 ' HB2' ' SG ' ' A' ' 53' ' ' CYS . . . -58.13 -46.93 84.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.474 . . . . 0.45 111.353 -177.701 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 68.9 t -65.18 -40.31 88.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 120.949 0.404 . . . . 0.68 110.539 179.215 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 89.9 m -61.06 -41.61 96.94 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.93 -0.577 . . . . 0.68 110.96 179.069 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.446 ' HA ' ' OE1' ' A' ' 110' ' ' GLU . 72.6 mt -74.09 -37.34 46.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 121.231 0.539 . . . . 0.83 110.668 178.715 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' SER . . . . . 0.44 ' HB2' ' CE2' ' A' ' 50' ' ' TYR . 21.7 t -65.84 -23.34 66.65 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.059 -0.519 . . . . 1.19 110.721 -178.079 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' ARG . . . . . 0.435 ' HA ' ' HD2' ' A' ' 109' ' ' ARG . 26.2 tpt180 -95.27 16.07 17.62 Favored 'General case' 0 N--CA 1.452 -0.325 0 CA-C-O 121.445 0.64 . . . . 5.77 110.411 178.711 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.446 ' OE1' ' HA ' ' A' ' 107' ' ' ILE . 45.0 mt-10 -94.7 -2.23 51.57 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.499 0.666 . . . . 6.0 109.345 172.216 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 29.3 m-80 -104.79 54.05 0.72 Allowed 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.276 -0.875 . . . . 6.62 110.025 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 27.6 mt -83.66 60.43 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 121.682 0.753 . . . . 8.37 110.036 -178.639 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 15.3 p -95.13 -60.37 1.69 Allowed 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.498 -0.774 . . . . 9.67 109.974 178.025 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -74.49 115.05 13.6 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 115.466 -0.788 . . . . 11.2 110.089 178.318 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 15.8 m -106.24 28.31 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-O 121.42 0.628 . . . . 12.46 110.645 178.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -153.65 -169.9 19.14 Favored Glycine 0 N--CA 1.446 -0.67 0 CA-C-N 115.299 -0.864 . . . . 13.58 111.532 179.395 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -123.94 82.73 55.55 Favored Pre-proline 0 C--N 1.324 -0.532 0 CA-C-O 120.606 0.241 . . . . 16.1 110.813 -179.483 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 97.1 Cg_endo -80.57 155.35 21.21 Favored 'Trans proline' 0 N--CA 1.458 -0.571 0 C-N-CA 122.143 1.896 . . . . 18.52 111.849 179.359 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 12.6 p . . . . . 0 C--O 1.253 1.242 0 CA-C-O 118.478 -0.773 . . . . 20.01 110.709 178.442 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.756 0 N-CA-C 111.369 -0.693 . . . . 15.85 111.369 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_endo -53.74 -31.81 62.87 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 123.262 2.642 . . . . 16.1 112.634 -177.347 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 24.4 ptt? -131.17 28.26 4.76 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.062 0.458 . . . . 14.03 110.206 178.302 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -151.18 102.09 2.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.871 -0.604 . . . . 12.6 111.393 -177.203 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 13.1 tpt -82.63 90.47 6.82 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.054 -0.521 . . . . 12.35 110.04 175.247 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 41.4 tp -134.29 81.44 1.91 Allowed 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.062 0.458 . . . . 9.95 109.998 178.829 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -83.37 102.63 12.15 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.995 -0.548 . . . . 8.65 110.802 -178.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 31.5 mmm180 -111.95 152.92 27.51 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.91 -0.586 . . . . 9.34 109.662 179.595 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 42.9 ttp180 -83.97 54.38 2.9 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.531 0.681 . . . . 8.86 110.167 -178.49 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -152.33 63.59 0.82 Allowed 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.977 0.894 . . . . 6.88 109.068 178.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 13.0 ptm180 -140.0 -38.06 0.47 Allowed 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 114.477 -1.238 . . . . 6.91 109.763 -179.045 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 -133.52 71.75 75.25 Favored Pre-proline 0 C--N 1.325 -0.468 0 CA-C-N 115.484 -0.78 . . . . 2.19 109.495 177.585 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -58.41 -38.49 90.08 Favored 'Trans proline' 0 C--N 1.349 0.581 0 C-N-CA 122.835 2.357 . . . . 1.45 112.402 -178.148 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.481 ' O ' ' HB2' ' A' ' 18' ' ' ARG . 66.0 mt -67.23 -32.8 74.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.43 -0.35 . . . . 0.85 110.074 -179.492 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -74.5 -41.64 60.32 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.245 -0.434 . . . . 2.75 111.129 178.5 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.78 -45.73 88.45 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.845 0.355 . . . . 0.71 110.32 176.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 53.8 tp -65.94 -35.06 79.58 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.94 -0.573 . . . . 1.09 110.756 177.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.481 ' HB2' ' O ' ' A' ' 14' ' ' LEU . 57.4 ttt180 -57.19 -36.24 70.59 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.362 -0.381 . . . . 3.33 110.737 -178.52 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 41.9 ttp180 -64.09 -44.48 92.22 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.071 0.462 . . . . 3.76 110.189 176.658 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 73.0 ttt180 -70.17 -35.32 73.91 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.715 -0.675 . . . . 4.04 110.615 179.391 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 92.7 m-20 -63.71 -41.66 98.07 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 120.848 0.356 . . . . 1.34 110.334 175.779 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -64.27 -32.43 74.02 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.098 -0.501 . . . . 2.79 110.444 178.441 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 17.3 tp10 -62.58 -45.64 92.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.244 0.545 . . . . 2.14 110.044 176.865 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 84.7 mt -67.27 -41.93 84.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.798 -0.637 . . . . 0.68 110.487 178.028 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 28.3 ttpp -60.45 -38.97 85.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.815 -0.629 . . . . 1.9 111.163 -177.792 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 56.2 tt0 -61.39 -45.0 96.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.376 0.607 . . . . 2.6 110.341 178.569 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 -61.91 -42.79 99.5 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.141 -0.936 . . . . 1.37 110.815 178.507 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 75.6 t -57.51 -49.11 81.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.099 -0.5 . . . . 0.4 111.438 176.401 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -63.49 -38.95 93.09 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 120.596 0.236 . . . . 1.21 111.238 -179.082 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 29.6 t -63.31 -35.87 81.8 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.099 0.476 . . . . 1.3 110.389 178.653 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.507 HD11 HG23 ' A' ' 49' ' ' ILE . 38.2 tp -70.33 -45.6 65.85 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.031 -0.531 . . . . 1.14 110.133 -179.71 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 94.4 mt -60.6 -34.6 74.45 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.491 -0.777 . . . . 0.67 111.118 178.442 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 32.3 t -67.89 -46.73 70.8 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.354 -0.384 . . . . 1.29 110.432 179.341 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -66.64 -27.79 67.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.907 0.384 . . . . 1.86 111.001 179.063 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 32.4 t -62.14 -23.98 66.89 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.876 -0.602 . . . . 1.33 111.874 179.2 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 58.3 tp60 -89.41 -17.25 29.14 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.022 0.439 . . . . 2.91 110.588 -177.116 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 93.9 mt -66.5 130.0 41.73 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.835 -0.621 . . . . 0.95 110.716 -176.396 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 22.1 pttp -67.94 -28.15 67.23 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.854 -0.612 . . . . 3.61 110.595 179.764 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -67.7 -20.17 65.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 3.24 110.901 175.541 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -86.46 0.8 53.41 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.147 -0.479 . . . . 1.2 111.404 -177.731 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 61.5 tp -68.15 -15.78 63.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.114 -0.494 . . . . 2.76 110.654 178.1 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.465 ' OE1' ' HD2' ' A' ' 43' ' ' PRO . 16.6 tp10 -51.06 121.09 15.1 Favored Pre-proline 0 C--N 1.331 -0.228 0 CA-C-N 115.754 -0.657 . . . . 3.43 110.168 174.551 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.465 ' HD2' ' OE1' ' A' ' 42' ' ' GLU . 76.9 Cg_exo -51.32 -32.95 43.65 Favored 'Trans proline' 0 C--N 1.35 0.627 0 C-N-CA 123.193 2.595 . . . . 1.63 113.45 -178.791 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 -72.68 -33.29 66.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.178 0.513 . . . . 1.75 110.137 178.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 22.5 tptm -76.35 -36.12 58.37 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.87 -0.604 . . . . 1.99 109.804 177.15 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.428 ' HG3' ' O ' ' A' ' 42' ' ' GLU . 19.7 mtm180 -61.77 -42.6 99.19 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.478 -0.328 . . . . 3.72 110.331 177.397 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 -65.69 -35.61 81.25 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.92 0.391 . . . . 2.64 110.629 175.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.432 ' O ' ' HG2' ' A' ' 52' ' ' ARG . 17.5 t60 -66.23 -40.26 90.13 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.891 -0.595 . . . . 1.02 109.716 178.409 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.507 HG23 HD11 ' A' ' 31' ' ' LEU . 79.1 mt -67.02 -44.02 88.62 Favored 'Isoleucine or valine' 0 C--O 1.233 0.224 0 CA-C-N 116.03 -0.532 . . . . 0.61 110.381 176.79 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 59.5 t80 -58.87 -41.1 86.25 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.175 -0.466 . . . . 0.46 110.491 177.696 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 49.5 tp60 -67.76 -38.83 83.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.074 -0.512 . . . . 1.48 110.458 -179.736 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.531 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 28.4 mmt180 -62.99 -40.23 97.12 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.391 -0.368 . . . . 3.69 110.447 177.005 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.668 ' SG ' ' HB3' ' A' ' 100' ' ' LEU . 46.4 t -57.83 -40.42 79.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.483 -0.326 . . . . 0.54 111.054 175.903 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 64.5 mt -71.04 -40.06 75.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 121.416 0.627 . . . . 0.44 110.039 179.099 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 49.8 tt0 -60.99 -46.87 88.99 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.249 -0.887 . . . . 2.54 111.159 178.861 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.531 ' HG ' ' O ' ' A' ' 52' ' ' ARG . 77.2 mt -70.4 -34.87 73.05 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.403 -0.362 . . . . 0.4 110.49 -177.839 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 23.1 ttmm -57.3 -38.63 74.28 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.062 0.458 . . . . 1.78 110.248 177.599 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 -72.0 -39.59 69.13 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.702 -0.681 . . . . 2.41 110.344 179.603 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.71 -42.14 91.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.57 -0.741 . . . . 0.26 111.232 179.224 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.419 HG13 ' O ' ' A' ' 56' ' ' LEU . 86.7 mt -65.47 -41.21 90.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 121.067 0.461 . . . . 0.36 110.119 178.129 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -59.72 -36.59 76.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.656 -0.702 . . . . 0.64 110.341 177.075 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -62.25 -45.86 91.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.74 -0.664 . . . . 2.28 110.551 179.611 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -63.61 -43.5 96.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.347 -0.388 . . . . 1.07 110.522 177.524 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -55.85 -41.27 74.08 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.752 -0.658 . . . . 1.48 110.82 176.889 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -69.77 -41.96 74.47 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.192 -0.458 . . . . 1.35 110.979 178.26 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.13 -45.93 89.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.033 0.444 . . . . 0.46 110.517 177.643 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 46.0 tp -63.1 -29.19 70.61 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.399 -0.819 . . . . 0.57 111.135 178.608 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 53.1 tt0 -76.24 -23.5 54.52 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.049 -0.523 . . . . 1.8 109.905 -177.611 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 62.0 tttm -90.93 -28.27 18.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.064 -0.516 . . . . 2.67 109.865 176.304 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 95.7 mt -82.37 43.08 0.79 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.355 0.597 . . . . 2.13 110.31 175.592 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 45.8 t -142.68 119.63 11.31 Favored 'General case' 0 N--CA 1.444 -0.768 0 CA-C-N 115.565 -0.743 . . . . 3.1 109.454 -178.187 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 20.5 pttm -117.13 63.45 0.73 Allowed 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.246 0.546 . . . . 6.17 110.015 176.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -66.49 -26.49 67.2 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.751 -0.659 . . . . 4.6 111.473 -177.404 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -71.91 -15.91 62.1 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.998 0.428 . . . . 6.87 110.481 179.059 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -85.51 143.9 28.26 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.001 -0.545 . . . . 6.68 110.01 177.764 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 14.4 m -80.1 63.35 4.57 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.07 0.462 . . . . 5.08 110.919 -178.544 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -89.38 117.01 67.8 Favored Pre-proline 0 C--N 1.323 -0.557 0 CA-C-N 115.971 -0.559 . . . . 4.62 110.133 178.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -76.49 56.85 5.26 Favored 'Trans proline' 0 CA--C 1.53 0.288 0 C-N-CA 122.644 2.23 . . . . 3.94 112.585 -178.067 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 3.6 m -133.08 74.25 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 121.458 0.647 . . . . 3.47 110.409 179.218 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.58 -36.12 81.7 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.473 -0.785 . . . . 2.32 112.268 -175.81 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 66.5 t30 -69.14 -31.06 69.47 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.756 0.312 . . . . 2.86 110.219 -178.448 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 26.4 t80 -61.7 -41.45 97.6 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.508 -0.553 . . . . 1.57 109.508 175.237 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 92.7 m-20 -70.93 -35.71 72.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.985 -0.552 . . . . 1.92 110.971 -178.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' GLN . . . . . 0.41 ' HA ' ' OE1' ' A' ' 84' ' ' GLN . 6.9 tp60 -70.65 -50.21 39.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.143 -0.48 . . . . 3.57 110.972 179.812 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.467 ' O ' ' HG2' ' A' ' 89' ' ' GLU . 41.3 ttt180 -64.68 -28.32 69.53 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.877 0.37 . . . . 3.59 110.465 -179.446 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 29.5 ttmt -56.81 -40.68 76.43 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.971 -0.558 . . . . 2.26 110.358 179.621 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.407 ' O ' ' HB2' ' A' ' 90' ' ' HIS . 25.9 mm-40 -72.09 -33.39 67.84 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.599 -0.728 . . . . 2.94 110.676 178.566 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -65.63 -38.09 88.4 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.266 -0.425 . . . . 2.99 110.691 176.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.467 ' HG2' ' O ' ' A' ' 85' ' ' ARG . 5.4 mm-40 -65.54 -36.13 82.89 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.828 -0.434 . . . . 1.83 109.828 176.206 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' HIS . . . . . 0.407 ' HB2' ' O ' ' A' ' 87' ' ' GLU . 18.5 m80 -58.29 -45.18 88.42 Favored 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 109.625 -0.509 . . . . 0.58 109.625 171.907 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 30.1 m -62.31 -42.69 99.58 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 115.244 -0.889 . . . . 0.79 111.104 -177.556 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 66.7 tp -57.15 -50.35 73.1 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 116.671 -0.241 . . . . 0.53 111.636 177.553 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 95.1 mt -64.28 -38.22 90.28 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.397 0.618 . . . . 0.69 110.438 -179.162 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -67.57 -28.16 67.54 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.375 -0.829 . . . . 0.82 110.523 177.391 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 63.1 tttp -75.59 -41.84 53.5 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.08 -0.711 . . . . 2.25 109.08 -175.875 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 81.8 mt -65.65 -35.26 80.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.284 -0.871 . . . . 0.4 109.993 178.626 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 62.4 m -67.39 -38.94 85.48 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 115.832 -0.622 . . . . 0.44 109.721 179.052 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 61.3 tt0 -62.09 -43.58 98.53 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.698 -0.683 . . . . 2.53 111.052 179.347 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 12.4 mm100 -61.46 -41.04 96.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.387 -0.369 . . . . 2.3 110.906 -179.621 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.668 ' HB3' ' SG ' ' A' ' 53' ' ' CYS . 92.9 mt -71.35 -35.47 71.17 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.049 -0.523 . . . . 0.38 110.674 178.327 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 22.5 tm0? -64.91 -31.89 73.34 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.507 -0.769 . . . . 2.34 110.759 -178.248 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -73.18 -39.86 51.59 Favored Glycine 0 N--CA 1.449 -0.498 0 N-CA-C 110.429 -1.068 . . . . 0.46 110.429 -178.857 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.418 ' O ' HG13 ' A' ' 107' ' ' ILE . 60.7 tp -70.73 -44.2 67.34 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 114.807 -0.697 . . . . 0.66 110.786 179.154 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.498 ' HB2' ' SG ' ' A' ' 53' ' ' CYS . . . -55.25 -46.1 76.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.017 -0.538 . . . . 0.45 111.705 -176.076 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 88.1 t -65.39 -39.33 84.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-O 121.057 0.456 . . . . 0.68 110.719 179.367 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 91.4 m -65.39 -34.88 79.34 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.04 -0.527 . . . . 0.68 111.275 179.585 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.418 HG13 ' O ' ' A' ' 103' ' ' LEU . 66.3 mt -79.65 -27.86 12.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.786 0.327 . . . . 0.83 111.528 179.698 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 9.4 p -86.5 -20.28 28.28 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.377 0.608 . . . . 1.19 109.83 -174.869 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 26.3 ttm180 -109.62 92.19 3.95 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.5 -0.773 . . . . 5.77 109.226 173.815 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -78.5 54.95 1.53 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.903 -0.59 . . . . 6.0 111.418 -176.39 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -127.23 42.93 3.23 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.715 -0.675 . . . . 6.62 109.42 179.062 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 68.0 mt -63.9 112.45 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.543 -0.753 . . . . 8.37 110.823 -174.829 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 64.6 p 55.49 21.21 4.2 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 123.965 0.906 . . . . 9.67 112.076 -177.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -100.99 127.47 47.47 Favored 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 109.738 -0.467 . . . . 11.2 109.738 178.01 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.471 ' HA ' ' HG3' ' A' ' 118' ' ' PRO . 6.0 m -104.39 47.41 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-N 115.905 -0.589 . . . . 12.46 111.872 -173.648 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -86.31 74.04 2.43 Favored Glycine 0 N--CA 1.45 -0.381 0 N-CA-C 111.288 -0.725 . . . . 13.58 111.288 175.226 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.408 ' N ' ' HD3' ' A' ' 118' ' ' PRO . . . 51.89 61.56 12.15 Favored Pre-proline 0 CA--C 1.534 0.363 0 C-N-CA 123.106 0.562 . . . . 16.1 112.262 -177.141 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 118' ' ' PRO . . . . . 0.471 ' HG3' ' HA ' ' A' ' 115' ' ' VAL . 96.8 Cg_endo -92.48 108.12 0.22 Allowed 'Trans proline' 0 N--CA 1.453 -0.901 0 C-N-CA 122.439 2.093 . . . . 18.52 111.885 175.868 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 24.4 m . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.523 -0.751 . . . . 20.01 109.975 -179.754 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.69 0 N-CA-C 111.881 -0.487 . . . . 15.85 111.881 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 66.9 Cg_endo -75.19 153.38 40.83 Favored 'Trans proline' 0 N--CA 1.461 -0.402 0 C-N-CA 122.566 2.177 . . . . 16.1 111.981 178.602 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 51.9 ttm -97.0 117.64 31.62 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.457 -0.338 . . . . 14.03 110.461 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -82.79 101.08 10.7 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.128 -0.487 . . . . 12.6 110.558 178.735 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 53.3 ttm -133.48 82.1 1.97 Allowed 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.143 0.497 . . . . 12.35 110.221 179.126 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 55.4 mt -83.49 82.21 8.39 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.816 -0.629 . . . . 9.95 109.795 178.772 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -82.6 54.43 2.64 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.044 -0.525 . . . . 8.65 111.876 -174.696 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 75.1 mtt180 55.33 71.79 0.52 Allowed 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 115.735 -0.666 . . . . 9.34 111.943 174.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 85.3 mtm180 -100.49 138.13 37.97 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.24 -0.437 . . . . 8.86 110.118 177.115 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 63.2 tp60 -134.42 131.02 37.68 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.031 -0.531 . . . . 6.88 110.399 -178.827 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 61.7 ttt180 -105.78 133.83 49.88 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 116.264 -0.425 . . . . 6.91 110.037 175.576 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -125.69 90.33 50.71 Favored Pre-proline 0 C--N 1.321 -0.647 0 CA-C-N 116.264 -0.425 . . . . 2.19 110.45 178.814 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_exo -60.63 -29.45 88.47 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.526 2.151 . . . . 1.45 111.589 178.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 95.9 mt -63.27 -37.54 87.66 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.885 -0.598 . . . . 0.85 110.539 176.888 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 47.3 tt0 -67.38 -42.51 83.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 2.75 110.557 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.13 -44.32 80.18 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.093 0.473 . . . . 0.71 110.601 177.269 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.458 HD21 ' HB2' ' A' ' 67' ' ' LEU . 53.8 tp -63.28 -39.53 94.83 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.721 -0.672 . . . . 1.09 111.647 179.807 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 26.6 ttm180 -59.09 -33.14 70.47 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 120.795 0.331 . . . . 3.33 110.797 178.837 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 71.8 ttt180 -66.91 -44.38 80.89 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.865 -0.42 . . . . 3.76 109.865 174.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.503 ' HG3' HD21 ' A' ' 63' ' ' ASN . 30.2 tpt180 -64.84 -36.98 86.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.951 -0.568 . . . . 4.04 110.221 179.08 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 -65.59 -37.87 87.89 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.34 -0.391 . . . . 1.34 110.674 175.369 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 48.4 tt0 -66.46 -30.16 70.44 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.433 -0.349 . . . . 2.79 110.37 178.454 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.452 ' O ' ' HG3' ' A' ' 27' ' ' GLN . 43.4 mt-10 -65.64 -46.15 80.33 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.243 -0.651 . . . . 2.14 109.243 178.025 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.423 ' O ' HG23 ' A' ' 28' ' ' VAL . 65.0 mt -66.7 -35.42 80.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.559 -0.746 . . . . 0.68 110.318 178.065 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -58.21 -42.9 87.22 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.211 -0.449 . . . . 1.9 110.09 177.662 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -67.86 -34.96 77.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.045 -0.525 . . . . 2.6 110.587 179.364 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.452 ' HG3' ' O ' ' A' ' 23' ' ' GLU . 76.4 mt-30 -68.7 -34.72 76.14 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.885 -0.598 . . . . 1.37 110.17 -179.451 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.423 HG23 ' O ' ' A' ' 24' ' ' LEU . 77.7 t -68.97 -46.11 79.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 115.948 -0.569 . . . . 0.4 110.283 176.733 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -59.91 -38.66 82.92 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 116.324 -0.398 . . . . 1.21 110.522 177.425 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 22.9 t -62.85 -43.55 98.49 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.174 -0.466 . . . . 1.3 109.992 177.757 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.406 HD22 HD12 ' A' ' 56' ' ' LEU . 61.8 tp -58.75 -48.49 81.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.864 0.364 . . . . 1.14 110.26 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 96.7 mt -60.73 -33.56 73.1 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.603 -0.726 . . . . 0.67 111.03 -179.626 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 23.1 m -67.55 -41.59 84.01 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.266 -0.425 . . . . 1.29 110.93 179.111 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -77.16 -26.13 52.69 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.058 0.456 . . . . 1.86 111.254 -178.586 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 53.7 m -71.56 -12.74 61.52 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 112.335 0.494 . . . . 1.33 112.335 -174.008 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.504 ' HA ' ' OE1' ' A' ' 36' ' ' GLN . 11.7 mm-40 -104.63 8.91 35.37 Favored 'General case' 0 C--N 1.327 -0.377 0 O-C-N 122.078 -0.389 . . . . 2.91 110.96 -177.323 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 91.2 mt -76.33 141.31 41.61 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.398 -0.364 . . . . 0.95 110.394 -179.734 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -71.73 -30.69 65.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 3.61 110.239 177.88 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -70.43 -17.68 63.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.992 -0.549 . . . . 3.24 110.727 177.612 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.555 ' HB1' HD11 ' A' ' 49' ' ' ILE . . . -79.17 -0.17 30.78 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.168 -0.469 . . . . 1.2 110.823 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 43.2 tp -75.0 -15.31 60.66 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.922 -0.581 . . . . 2.76 110.453 177.049 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 30.0 mm-40 -63.33 138.69 97.42 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.205 -0.452 . . . . 3.43 110.674 -179.139 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 10.5 Cg_endo -52.67 -48.75 20.34 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.359 2.039 . . . . 1.63 113.436 -171.767 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 56.3 m-80 -72.75 -44.81 61.16 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.625 0.25 . . . . 1.75 110.848 -176.847 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 69.9 tttt -64.97 -31.84 73.27 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.786 0.327 . . . . 1.99 110.848 -179.51 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 26.8 ttm180 -61.64 -40.08 93.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.127 0.489 . . . . 3.72 110.023 175.368 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 21.3 mm-40 -68.78 -31.0 69.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.93 -0.577 . . . . 2.64 110.631 177.098 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 46.7 t60 -61.1 -34.65 75.27 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.312 -0.403 . . . . 1.02 110.418 179.16 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.555 HD11 ' HB1' ' A' ' 40' ' ' ALA . 78.5 mt -64.76 -49.73 78.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.985 0.422 . . . . 0.61 110.116 175.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 44.1 t80 -54.63 -40.27 68.79 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 115.821 -0.627 . . . . 0.46 110.852 174.539 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 40.9 tp60 -64.42 -41.57 96.53 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.277 -0.42 . . . . 1.48 110.447 178.534 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.629 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 75.2 mtt180 -60.75 -40.43 92.46 Favored 'General case' 0 CA--C 1.516 -0.335 0 CA-C-N 116.223 -0.444 . . . . 3.69 110.581 176.849 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.655 ' SG ' ' HB2' ' A' ' 104' ' ' ALA . 45.8 t -64.3 -44.25 92.18 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.513 -0.767 . . . . 0.54 110.512 -175.097 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 69.1 mt -58.37 -43.56 86.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.165 -0.47 . . . . 0.44 111.161 178.245 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -64.01 -49.49 72.21 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.18 -0.464 . . . . 2.54 111.266 -179.317 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.629 ' HG ' ' O ' ' A' ' 52' ' ' ARG . 43.9 mt -61.02 -36.82 80.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.341 -0.39 . . . . 0.4 111.645 179.321 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 60.9 tttp -62.27 -46.61 88.01 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.121 0.486 . . . . 1.78 110.15 179.215 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 60.1 tp60 -61.3 -37.35 82.91 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.581 -0.736 . . . . 2.41 110.895 177.642 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.16 -40.54 94.48 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.266 -0.425 . . . . 0.26 111.473 179.156 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 74.9 mt -63.45 -40.74 90.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 121.096 0.474 . . . . 0.36 110.11 177.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -62.58 -36.38 82.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.732 -0.667 . . . . 0.64 110.153 178.687 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -61.37 -45.42 94.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.851 -0.613 . . . . 2.28 110.444 178.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ASN . . . . . 0.503 HD21 ' HG3' ' A' ' 20' ' ' ARG . 5.9 m-20 -66.58 -42.24 87.29 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.03 -0.532 . . . . 1.07 110.529 178.281 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -58.53 -42.32 87.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 1.48 110.579 177.342 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 95.5 m-20 -66.08 -36.86 84.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.106 -0.497 . . . . 1.35 110.939 179.378 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -64.39 -46.39 83.52 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.115 0.483 . . . . 0.46 110.448 177.58 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.458 ' HB2' HD21 ' A' ' 17' ' ' LEU . 32.7 tp -67.63 -43.44 80.39 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.73 -0.668 . . . . 0.57 111.093 -179.016 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 27.8 tt0 -64.66 -22.05 66.88 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.003 0.43 . . . . 1.8 111.261 178.046 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 64.2 tttp -79.68 -22.84 42.94 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.329 0.585 . . . . 2.67 109.875 176.269 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 52.3 tp -88.31 158.25 18.5 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.369 -0.832 . . . . 2.13 110.596 -178.764 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 12.9 t 69.04 61.5 0.32 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.25 0.547 . . . . 3.1 110.494 176.372 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 55.7 pttt -60.96 139.97 57.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.645 -0.707 . . . . 6.17 109.945 176.003 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.04 -20.93 60.48 Favored 'General case' 0 C--O 1.232 0.182 0 N-CA-C 113.267 0.84 . . . . 4.6 113.267 -170.365 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -84.35 -24.11 29.88 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.824 0.345 . . . . 6.87 110.977 -179.539 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -140.37 95.85 2.94 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.004 0.43 . . . . 6.68 110.214 -177.084 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.489 ' O ' ' HD3' ' A' ' 78' ' ' PRO . 70.8 m -149.53 110.87 4.43 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.72 -0.673 . . . . 5.08 109.376 176.35 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -73.69 108.83 5.38 Favored Pre-proline 0 C--N 1.327 -0.385 0 O-C-N 123.414 0.447 . . . . 4.62 111.48 -176.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.489 ' HD3' ' O ' ' A' ' 76' ' ' SER . 97.9 Cg_endo -94.33 58.22 0.3 Allowed 'Trans proline' 0 N--CA 1.45 -1.045 0 C-N-CA 122.995 2.463 . . . . 3.94 111.717 178.135 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 60.0 t -67.53 -73.56 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.042 -0.526 . . . . 3.47 111.081 -176.515 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -149.25 -84.45 0.1 Allowed 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 121.02 -0.272 . . . . 2.32 111.504 178.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 10.0 p30 -76.96 -15.17 59.74 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 121.253 -0.179 . . . . 2.86 111.187 -175.125 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 11.8 t80 -57.13 -38.41 73.44 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.836 0.35 . . . . 1.57 110.129 178.123 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.456 ' OD1' ' HA ' ' A' ' 78' ' ' PRO . 77.7 m-20 -69.76 -46.43 65.84 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.163 -0.471 . . . . 1.92 110.729 -178.19 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' GLN . . . . . 0.546 ' O ' ' HG2' ' A' ' 88' ' ' GLU . 57.6 tp60 -71.37 -43.73 66.37 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.994 -0.548 . . . . 3.57 111.106 -175.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 9.8 ttm180 -62.59 -33.98 76.08 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.128 0.489 . . . . 3.59 109.996 -175.857 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 29.0 ttmt -64.08 -41.5 97.29 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.612 -0.722 . . . . 2.26 110.435 177.689 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -72.35 -34.82 68.29 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.198 -0.456 . . . . 2.94 110.722 178.089 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.546 ' HG2' ' O ' ' A' ' 84' ' ' GLN . 23.0 mm-40 -57.38 -42.26 81.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.088 -0.505 . . . . 2.99 111.017 -178.273 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -65.47 -40.01 92.63 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.349 -0.387 . . . . 1.83 110.339 179.163 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 33.5 m-70 -60.94 -45.59 94.09 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 120.847 0.356 . . . . 0.58 110.285 176.133 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 21.4 m -64.48 -37.85 88.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.997 -0.547 . . . . 0.79 111.192 -178.687 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.415 ' O ' ' HG ' ' A' ' 96' ' ' LEU . 53.0 tp -70.02 -51.67 30.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.344 -0.389 . . . . 0.53 110.828 -178.415 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 99.2 mt -63.76 -33.4 75.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.258 -0.428 . . . . 0.69 111.071 -176.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.467 ' O ' ' HG3' ' A' ' 98' ' ' GLN . 18.5 t70 -68.97 -45.09 71.56 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.473 -0.331 . . . . 0.82 110.806 -178.155 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.419 ' O ' ' HG3' ' A' ' 99' ' ' GLN . 26.7 tptp -63.73 -40.78 97.58 Favored 'General case' 0 C--N 1.334 -0.089 0 CA-C-O 120.771 0.32 . . . . 2.25 110.468 179.66 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.415 ' HG ' ' O ' ' A' ' 92' ' ' LEU . 94.7 mt -59.47 -41.58 90.09 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.134 -0.485 . . . . 0.4 110.472 175.6 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 37.0 m -58.59 -40.57 83.56 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.425 -0.352 . . . . 0.44 110.786 174.838 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' GLN . . . . . 0.467 ' HG3' ' O ' ' A' ' 94' ' ' ASP . 74.6 mt-30 -62.25 -43.08 99.65 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.322 -0.399 . . . . 2.53 110.765 178.772 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.419 ' HG3' ' O ' ' A' ' 95' ' ' LYS . 78.1 mt-30 -61.84 -49.15 77.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.914 -0.584 . . . . 2.3 111.093 -178.764 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.452 ' HB3' ' SG ' ' A' ' 53' ' ' CYS . 76.7 mt -69.37 -47.9 62.87 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.897 -0.592 . . . . 0.38 111.06 -174.252 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 56.5 tp60 -62.39 -41.3 98.54 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.187 -0.46 . . . . 2.34 110.229 -178.305 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -63.79 -42.95 98.36 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.937 -0.649 . . . . 0.46 111.962 177.868 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.4 ' O ' HG13 ' A' ' 107' ' ' ILE . 61.3 tp -69.21 -44.83 71.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.542 0.21 . . . . 0.66 110.942 -179.515 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.655 ' HB2' ' SG ' ' A' ' 53' ' ' CYS . . . -55.66 -46.34 77.52 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.005 0.431 . . . . 0.45 111.323 -177.401 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 83.7 t -66.47 -38.04 80.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.787 -0.642 . . . . 0.68 110.984 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 38.5 m -64.33 -32.8 74.55 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.956 0.407 . . . . 0.68 111.113 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.4 HG13 ' O ' ' A' ' 103' ' ' LEU . 76.0 mt -79.14 -42.71 23.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 116.415 -0.357 . . . . 0.83 111.215 -179.36 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 11.2 p -81.7 -27.54 33.9 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.381 -0.372 . . . . 1.19 111.872 -173.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 95.8 mtt180 -93.38 150.55 20.38 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.978 -0.289 . . . . 5.77 110.32 177.257 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 25.8 mm-40 63.35 32.62 14.52 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.478 -0.783 . . . . 6.0 110.147 -177.142 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 4.2 t30 -116.66 57.32 0.78 Allowed 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.667 -0.864 . . . . 6.62 108.667 179.029 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 27.2 mt -85.43 82.1 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 115.391 -0.822 . . . . 8.37 111.008 -173.655 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 11.4 p -97.6 -67.52 0.84 Allowed 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.754 -0.657 . . . . 9.67 109.68 173.078 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -122.5 10.29 9.77 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.698 -0.683 . . . . 11.2 109.412 172.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 17.6 t -85.74 81.65 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.267 -0.879 . . . . 12.46 110.057 -177.626 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 149.29 -142.64 10.0 Favored Glycine 0 N--CA 1.445 -0.752 0 CA-C-N 115.706 -0.679 . . . . 13.58 111.416 -178.847 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -147.76 117.17 4.26 Favored Pre-proline 0 C--N 1.322 -0.591 0 CA-C-O 120.681 0.277 . . . . 16.1 110.284 178.039 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_endo -84.5 28.82 0.56 Allowed 'Trans proline' 0 N--CA 1.461 -0.43 0 C-N-CA 122.754 2.303 . . . . 18.52 112.422 179.212 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 3.5 t . . . . . 0 C--O 1.248 1.001 0 CA-C-N 115.843 -0.617 . . . . 20.01 110.168 -179.624 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.781 0 N-CA-C 111.942 -0.463 . . . . 15.85 111.942 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 44.8 Cg_endo -69.11 -24.31 32.81 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.625 2.216 . . . . 16.1 112.694 -178.687 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 63.2 mtm -83.46 -61.43 1.84 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.122 0.487 . . . . 14.03 109.852 179.366 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -142.43 150.02 40.05 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.782 -0.644 . . . . 12.6 110.158 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 19.5 mmt -102.02 106.88 17.84 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.328 -0.396 . . . . 12.35 110.335 178.227 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -81.12 91.18 6.09 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.063 -0.517 . . . . 9.95 110.559 -179.171 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.62 107.63 5.21 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.93 -0.577 . . . . 8.65 110.871 179.215 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 39.5 ttm180 -151.91 102.25 2.81 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.267 -0.424 . . . . 9.34 110.678 -178.83 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 80.8 mtp180 -96.79 163.14 13.12 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.931 -0.577 . . . . 8.86 110.623 178.032 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 91.4 mt-30 53.92 42.97 31.51 Favored 'General case' 0 C--N 1.331 -0.235 0 O-C-N 123.799 0.687 . . . . 6.88 110.905 -177.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 54.5 ttp180 -75.05 93.24 2.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.767 -0.651 . . . . 6.91 109.784 179.071 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.8 t0 57.57 76.88 0.44 Allowed Pre-proline 0 N--CA 1.466 0.331 0 CA-C-N 115.356 -0.838 . . . . 2.19 110.312 -175.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_exo -61.16 -29.37 86.84 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.632 2.221 . . . . 1.45 111.977 -179.471 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 74.7 mt -62.47 -45.35 93.45 Favored 'General case' 0 C--O 1.223 -0.293 0 CA-C-N 116.113 -0.494 . . . . 0.85 110.448 179.561 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.529 ' O ' ' HG2' ' A' ' 19' ' ' ARG . 46.8 tt0 -60.13 -46.44 89.63 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.517 -0.31 . . . . 2.75 110.864 178.394 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.78 -45.97 87.35 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.895 0.379 . . . . 0.71 110.931 -178.776 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 28.2 tp -65.49 -36.37 83.66 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.043 -0.526 . . . . 1.09 110.458 177.403 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 49.0 ttp180 -61.08 -33.78 73.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.163 -0.471 . . . . 3.33 110.43 177.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.529 ' HG2' ' O ' ' A' ' 15' ' ' GLN . 27.8 mmm180 -63.7 -39.97 95.64 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.899 -0.408 . . . . 3.76 109.899 176.22 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.441 ' HG2' HD21 ' A' ' 63' ' ' ASN . 78.4 ttt180 -67.92 -41.12 83.12 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 115.696 -0.684 . . . . 4.04 110.561 177.164 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -65.99 -40.46 91.2 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 116.402 -0.363 . . . . 1.34 111.093 177.231 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 49.2 tt0 -62.18 -31.84 72.4 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 121.086 0.47 . . . . 2.79 110.464 178.693 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -66.44 -47.52 72.92 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.635 -0.711 . . . . 2.14 109.529 -179.555 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.488 ' O ' HG23 ' A' ' 28' ' ' VAL . 78.8 mt -66.67 -38.01 85.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.89 -0.595 . . . . 0.68 110.665 176.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -58.27 -44.85 88.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.416 -0.357 . . . . 1.9 110.406 179.496 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.446 ' HA ' ' OE1' ' A' ' 26' ' ' GLN . 6.8 tp60 -65.12 -34.23 77.91 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-O 121.139 0.495 . . . . 2.6 110.311 179.186 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 80.3 mt-30 -69.64 -33.52 72.73 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.935 -0.575 . . . . 1.37 110.406 178.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.488 HG23 ' O ' ' A' ' 24' ' ' LEU . 90.8 t -68.02 -45.52 83.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 N-CA-C 110.004 -0.369 . . . . 0.4 110.004 177.552 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -58.5 -36.64 74.11 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 121.074 0.464 . . . . 1.21 110.481 175.86 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 41.2 m -69.0 -39.08 79.55 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.837 -0.62 . . . . 1.3 110.855 179.589 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -63.67 -48.58 76.61 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 109.258 -0.645 . . . . 1.14 109.258 178.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 92.2 mt -60.39 -35.57 76.05 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.702 -0.681 . . . . 0.67 111.013 178.692 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 32.1 t -61.72 -41.92 98.26 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.285 -0.416 . . . . 1.29 110.439 179.412 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -76.34 -34.19 58.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.202 0.525 . . . . 1.86 110.226 -179.464 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 33.1 t -71.59 -11.13 60.7 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.556 -0.747 . . . . 1.33 110.877 179.815 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -97.22 -10.01 26.64 Favored 'General case' 0 N--CA 1.45 -0.468 0 N-CA-C 109.1 -0.704 . . . . 2.91 109.1 -175.446 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 85.0 mt -72.69 138.3 46.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.435 -0.802 . . . . 0.95 110.063 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 52.7 mttm -71.9 -29.84 64.75 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.636 -0.711 . . . . 3.61 109.962 179.65 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -69.36 -17.71 63.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.489 -0.778 . . . . 3.24 110.571 176.693 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -81.58 -0.1 40.71 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.15 -0.477 . . . . 1.2 111.636 -176.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 39.9 tp -75.43 -11.25 60.0 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.206 0.527 . . . . 2.76 109.822 174.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.406 ' HG3' ' H ' ' A' ' 45' ' ' LYS . 8.8 tp10 -58.95 116.77 16.83 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 115.424 -0.807 . . . . 3.43 109.751 173.549 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_exo -50.57 -30.67 28.9 Favored 'Trans proline' 0 C--N 1.352 0.718 0 C-N-CA 123.272 2.648 . . . . 1.63 113.597 -177.592 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 80.2 m-20 -69.57 -48.41 60.35 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.911 -0.316 . . . . 1.75 110.425 179.424 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.428 ' NZ ' ' HB2' ' A' ' 45' ' ' LYS . 0.0 OUTLIER -69.67 -39.45 77.02 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.071 0.463 . . . . 1.99 110.468 177.614 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 38.6 ttt180 -56.42 -39.04 72.4 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.289 -0.868 . . . . 3.72 110.658 178.32 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 26.4 tp60 -62.89 -41.12 99.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.791 -0.641 . . . . 2.64 110.391 176.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 10.5 t60 -70.12 -37.31 75.29 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.643 -0.708 . . . . 1.02 110.186 -178.624 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 65.8 mt -65.22 -44.59 95.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.302 -0.408 . . . . 0.61 110.626 178.616 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 44.9 t80 -53.91 -40.39 66.64 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.324 -0.398 . . . . 0.46 110.954 175.838 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.432 ' O ' ' HG2' ' A' ' 55' ' ' GLN . 59.8 tp60 -65.39 -46.39 80.25 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.821 0.343 . . . . 1.48 110.551 179.741 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.499 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 98.9 mtt180 -62.58 -34.97 78.06 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.223 -0.444 . . . . 3.69 111.063 178.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 42.0 t -63.61 -44.65 93.36 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.634 -0.506 . . . . 0.54 109.634 179.047 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 72.2 mt -60.16 -44.33 95.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 115.856 -0.611 . . . . 0.44 111.077 176.412 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.432 ' HG2' ' O ' ' A' ' 51' ' ' GLN . 15.8 mm100 -61.05 -49.9 75.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.436 -0.347 . . . . 2.54 111.117 -178.112 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.499 ' HG ' ' O ' ' A' ' 52' ' ' ARG . 68.8 mt -62.04 -37.94 86.84 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.28 -0.418 . . . . 0.4 111.373 177.893 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 27.9 ttpp -64.17 -40.19 95.61 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.033 0.444 . . . . 1.78 109.964 -179.498 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 57.5 mt-30 -66.74 -35.11 79.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.97 -0.559 . . . . 2.41 110.93 174.599 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -68.89 -41.96 77.58 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.387 -0.369 . . . . 0.26 111.34 -179.259 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 73.4 mt -66.98 -40.95 86.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 121.181 0.515 . . . . 0.36 109.98 177.354 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -59.9 -37.65 80.01 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.509 -0.769 . . . . 0.64 110.04 176.292 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -61.13 -47.51 85.9 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.496 -0.774 . . . . 2.28 110.454 177.385 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ASN . . . . . 0.441 HD21 ' HG2' ' A' ' 20' ' ' ARG . 5.3 m-20 -63.47 -42.44 98.6 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.426 -0.352 . . . . 1.07 110.532 177.337 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 22.2 ttmm -57.66 -47.01 83.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 1.48 110.91 179.089 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 34.5 m-80 -69.47 -36.32 76.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 1.35 111.302 -178.438 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -67.77 -41.94 82.49 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.003 0.43 . . . . 0.46 110.357 177.276 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 61.1 tp -62.95 -46.38 88.03 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.761 -0.654 . . . . 0.57 111.163 179.277 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -65.93 -28.99 69.34 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.905 0.383 . . . . 1.8 111.123 -178.056 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 47.3 tttp -90.05 -10.78 43.54 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.216 -0.447 . . . . 2.67 110.663 -178.747 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 69.9 tp -67.77 -61.6 1.8 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.291 -0.413 . . . . 2.13 110.962 178.752 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 57.5 m -150.34 149.6 30.31 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.551 -0.295 . . . . 3.1 110.467 -179.108 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 51.8 mttp -88.95 108.06 19.36 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.676 -0.49 . . . . 6.17 109.676 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -71.38 -4.85 28.48 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.158 -0.474 . . . . 4.6 112.259 -175.458 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -93.28 -5.7 49.19 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.784 0.326 . . . . 6.87 110.654 177.489 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -125.41 56.28 1.37 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.645 0.736 . . . . 6.68 109.705 -179.063 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 24.9 m -156.37 36.99 0.33 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.704 -0.68 . . . . 5.08 110.671 -177.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.447 ' HB3' ' HD3' ' A' ' 78' ' ' PRO . . . -52.22 -48.89 87.63 Favored Pre-proline 0 CA--C 1.54 0.559 0 N-CA-C 113.459 0.911 . . . . 4.62 113.459 -176.387 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.447 ' HD3' ' HB3' ' A' ' 77' ' ' ALA . 76.5 Cg_exo -52.7 -38.01 76.22 Favored 'Trans proline' 0 C--N 1.358 1.063 0 C-N-CA 122.214 1.942 . . . . 3.94 113.066 178.585 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 16.5 m -101.78 51.91 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 121.618 0.723 . . . . 3.47 110.797 -177.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.537 ' O ' ' HG2' ' A' ' 84' ' ' GLN . . . -56.52 -39.09 72.75 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.152 -0.931 . . . . 2.32 112.036 -178.486 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -60.42 -35.68 76.38 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 120.708 0.289 . . . . 2.86 111.275 179.757 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 41.1 t80 -66.81 -38.29 86.18 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.504 -0.554 . . . . 1.57 109.504 176.421 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 78.4 m-20 -69.71 -27.53 65.06 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.832 -0.622 . . . . 1.92 110.997 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' GLN . . . . . 0.537 ' HG2' ' O ' ' A' ' 80' ' ' ALA . 13.9 mm100 -68.84 -40.72 79.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.318 -0.401 . . . . 3.57 111.671 -178.087 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.407 HH11 ' HD2' ' A' ' 85' ' ' ARG . 47.2 mtm180 -74.71 -31.38 61.85 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-O 121.29 0.567 . . . . 3.59 109.682 176.114 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.46 ' HA ' ' OE1' ' A' ' 89' ' ' GLU . 17.4 ttmm -65.08 -33.87 77.07 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.323 -0.853 . . . . 2.26 110.234 175.211 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -60.38 -39.71 88.24 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.602 -0.726 . . . . 2.94 109.91 176.266 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 34.2 mm-40 -61.45 -32.17 72.15 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 115.967 -0.561 . . . . 2.99 111.199 178.36 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.46 ' OE1' ' HA ' ' A' ' 86' ' ' LYS . 31.1 mt-10 -61.62 -46.38 90.08 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 109.525 -0.546 . . . . 1.83 109.525 178.341 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 40.2 m-70 -66.71 -44.26 82.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.597 -0.729 . . . . 0.58 110.656 179.451 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 26.0 m -59.08 -44.64 91.9 Favored 'General case' 0 C--N 1.328 -0.334 0 O-C-N 123.402 0.439 . . . . 0.79 111.203 179.532 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.496 ' O ' ' HG ' ' A' ' 96' ' ' LEU . 56.0 tp -68.34 -50.6 52.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 0.53 110.994 -176.146 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 94.8 mt -67.96 -32.26 72.56 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.197 -0.456 . . . . 0.69 111.32 -176.38 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -64.4 -47.25 79.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.674 -0.239 . . . . 0.82 111.538 -175.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 7.9 ttpm? -71.52 -34.96 70.53 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 121.186 -0.206 . . . . 2.25 110.906 -178.615 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.496 ' HG ' ' O ' ' A' ' 92' ' ' LEU . 98.3 mt -59.14 -45.3 91.31 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 110.185 -0.302 . . . . 0.4 110.185 173.695 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 25.0 m -60.13 -45.66 92.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.312 -0.404 . . . . 0.44 110.992 176.068 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 44.1 tt0 -60.62 -44.89 95.8 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-O 120.929 0.395 . . . . 2.53 111.155 179.511 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 7.5 tp60 -59.26 -47.67 84.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.797 -0.638 . . . . 2.3 111.211 -178.268 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 74.2 mt -73.72 -44.39 56.51 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.29 -0.414 . . . . 0.38 111.593 -176.552 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 24.9 tm0? -61.27 -44.35 97.38 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 110.13 -0.322 . . . . 2.34 110.13 -177.563 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -65.71 -42.9 95.06 Favored Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 120.581 -0.818 . . . . 0.46 111.966 178.115 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.455 ' O ' HG13 ' A' ' 107' ' ' ILE . 49.8 tp -65.97 -43.69 87.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.491 0.186 . . . . 0.66 110.923 -178.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -56.22 -44.74 79.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.31 -0.404 . . . . 0.45 111.354 -178.126 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 93.8 t -67.9 -38.68 80.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 121.026 0.441 . . . . 0.68 110.497 178.34 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 86.9 m -64.23 -35.71 81.7 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.937 -0.574 . . . . 0.68 111.042 178.632 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.455 HG13 ' O ' ' A' ' 103' ' ' LEU . 84.0 mt -75.46 -42.33 42.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 0.83 111.22 179.823 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 12.7 p -78.58 -14.19 59.45 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.867 0.365 . . . . 1.19 111.432 -174.61 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 88.5 mtt180 -133.06 94.74 3.41 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.099 0.476 . . . . 5.77 110.0 179.645 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -67.3 -32.3 73.19 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.65 -0.705 . . . . 6.0 111.841 -175.448 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 17.1 m120 -122.53 62.17 0.98 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.857 0.36 . . . . 6.62 111.241 -174.844 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 87.6 mt -63.68 105.09 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.04 -0.527 . . . . 8.37 110.327 177.204 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 19.7 m -94.44 -24.41 17.34 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.097 -0.501 . . . . 9.67 110.647 -177.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 68.09 -75.84 0.06 Allowed 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 115.695 -0.684 . . . . 11.2 111.071 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 21.8 t -91.53 102.28 13.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 120.785 0.326 . . . . 12.46 110.474 -178.405 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 162.08 -105.44 0.26 Allowed Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 121.066 -0.588 . . . . 13.58 111.684 179.427 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -121.94 82.26 43.06 Favored Pre-proline 0 C--N 1.325 -0.499 0 CA-C-O 120.861 0.362 . . . . 16.1 110.55 178.066 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 67.3 Cg_endo -88.77 4.51 5.41 Favored 'Trans proline' 0 N--CA 1.458 -0.569 0 C-N-CA 122.583 2.189 . . . . 18.52 112.347 178.121 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 35.6 p . . . . . 0 C--O 1.246 0.887 0 C-N-CA 123.839 0.855 . . . . 20.01 111.847 -178.565 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.713 0 N-CA-C 111.815 -0.514 . . . . 15.85 111.815 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -67.29 120.53 7.59 Favored 'Trans proline' 0 N--CA 1.464 -0.246 0 C-N-CA 122.6 2.2 . . . . 16.1 112.019 178.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 66.8 mtt -97.23 7.43 46.6 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.268 -0.424 . . . . 14.03 110.93 -178.28 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -108.01 39.01 2.04 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.132 0.491 . . . . 12.6 110.769 178.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 97.3 mmm -97.29 39.57 1.19 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.109 0.481 . . . . 12.35 110.967 -178.075 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.618 HD23 ' H ' ' A' ' 6' ' ' LEU . 2.6 pt? -85.52 16.87 3.52 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.935 -0.575 . . . . 9.95 110.608 179.559 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -82.92 -8.88 59.53 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.906 -0.588 . . . . 8.65 111.364 -178.855 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 76.3 ttt180 -78.42 80.81 4.8 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.387 0.613 . . . . 9.34 110.106 -179.09 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 35.0 mmt180 -101.58 -8.75 21.58 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.629 -0.714 . . . . 8.86 110.737 -178.239 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 68.9 mm-40 -77.49 63.12 2.58 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.127 0.489 . . . . 6.88 111.033 177.393 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 26.0 mtm180 -80.88 119.62 23.67 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.584 -0.895 . . . . 6.91 108.584 173.755 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 30.3 t70 59.5 76.27 0.45 Allowed Pre-proline 0 C--N 1.327 -0.387 0 O-C-N 123.709 0.631 . . . . 2.19 109.474 -170.305 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -55.02 -27.63 55.8 Favored 'Trans proline' 0 C--N 1.349 0.564 0 C-N-CA 123.234 2.623 . . . . 1.45 112.079 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 79.6 mt -56.52 -42.26 78.11 Favored 'General case' 0 C--O 1.218 -0.582 0 CA-C-N 115.917 -0.583 . . . . 0.85 111.175 -179.733 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 6.6 tp60 -59.74 -48.62 80.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.626 0.251 . . . . 2.75 111.251 -179.65 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.96 -45.61 73.7 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.002 0.429 . . . . 0.71 110.959 -178.454 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 30.5 tp -66.35 -36.94 84.18 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.991 -0.549 . . . . 1.09 110.935 179.515 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.487 ' O ' ' HG3' ' A' ' 22' ' ' GLN . 42.6 ttp180 -59.8 -42.8 94.23 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.545 -0.298 . . . . 3.33 110.526 176.636 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 73.0 ttt180 -58.85 -40.28 83.8 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.155 0.502 . . . . 3.76 109.721 178.005 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -66.21 -42.21 89.06 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.507 -0.77 . . . . 4.04 110.543 176.315 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -61.0 -42.25 98.09 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-O 120.868 0.366 . . . . 1.34 110.679 176.422 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.487 ' HG3' ' O ' ' A' ' 18' ' ' ARG . 97.6 mt-30 -62.29 -31.42 72.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.083 -0.508 . . . . 2.79 110.572 178.506 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -70.21 -43.18 71.2 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.017 -0.538 . . . . 2.14 109.695 178.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 87.3 mt -66.06 -37.28 85.42 Favored 'General case' 0 CA--C 1.52 -0.203 0 CA-C-N 115.921 -0.581 . . . . 0.68 110.444 175.812 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.429 ' HG2' ' OD2' ' A' ' 29' ' ' ASP . 60.6 tttm -59.36 -40.69 87.25 Favored 'General case' 0 C--O 1.225 -0.215 0 CA-C-N 116.536 -0.302 . . . . 1.9 110.396 177.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.458 ' HG2' ' O ' ' A' ' 22' ' ' GLN . 18.3 mm-40 -60.25 -35.2 74.95 Favored 'General case' 0 C--O 1.231 0.126 0 CA-C-O 121.19 0.519 . . . . 2.6 110.493 177.6 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -71.54 -37.67 71.12 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.857 -0.611 . . . . 1.37 110.044 179.626 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 97.9 t -69.69 -48.74 63.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.85 -0.614 . . . . 0.4 110.382 -179.688 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.429 ' OD2' ' HG2' ' A' ' 25' ' ' LYS . 31.9 m-20 -58.46 -37.13 74.84 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.07 -0.514 . . . . 1.21 110.827 -179.542 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 23.0 t -66.11 -42.21 89.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.395 -0.366 . . . . 1.3 110.275 177.627 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 57.2 tp -66.8 -40.49 88.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.792 0.33 . . . . 1.14 110.509 -176.775 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 89.1 mt -68.27 -44.19 76.11 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.318 -0.401 . . . . 0.67 110.737 -177.272 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 12.5 p -67.21 -31.5 71.93 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.133 -0.485 . . . . 1.29 111.246 -179.24 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -75.44 -29.89 59.82 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 121.326 0.584 . . . . 1.86 109.737 178.434 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 51.8 m -73.66 -10.49 59.75 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.575 -0.739 . . . . 1.33 111.386 178.358 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 99.0 mt-30 -104.04 7.26 36.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.207 0.527 . . . . 2.91 110.07 -175.484 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 78.4 mt -77.85 147.62 35.07 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.456 -0.793 . . . . 0.95 109.831 177.719 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 61.9 tttm -67.71 -30.92 70.54 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.027 0.442 . . . . 3.61 110.149 178.266 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -71.59 -18.59 62.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.212 -0.449 . . . . 3.24 110.56 177.13 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -82.21 -0.42 45.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.056 -0.52 . . . . 1.2 110.955 -178.163 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 56.0 tp -69.39 -15.45 63.31 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.315 0.579 . . . . 2.76 109.659 174.528 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 -66.15 115.65 25.55 Favored Pre-proline 0 C--N 1.327 -0.398 0 CA-C-N 115.074 -0.966 . . . . 3.43 110.18 176.638 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.474 ' O ' ' HG3' ' A' ' 47' ' ' GLN . 11.1 Cg_endo -54.79 -30.93 69.93 Favored 'Trans proline' 0 C--N 1.35 0.656 0 C-N-CA 123.096 2.53 . . . . 1.63 112.853 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -64.14 -43.2 95.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.658 0.266 . . . . 1.75 110.592 179.009 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 4.5 tppp? -72.08 -33.65 68.06 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.952 0.406 . . . . 1.99 110.377 176.69 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.482 ' HG2' HG23 ' A' ' 107' ' ' ILE . 41.9 ttm180 -57.8 -36.22 71.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.795 -0.639 . . . . 3.72 110.898 178.578 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.474 ' HG3' ' O ' ' A' ' 43' ' ' PRO . 69.5 mt-30 -61.56 -40.09 93.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.934 -0.575 . . . . 2.64 110.703 177.097 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 21.0 t60 -64.94 -34.97 79.68 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.632 -0.713 . . . . 1.02 109.851 179.679 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 85.3 mt -67.56 -47.16 81.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.782 -0.645 . . . . 0.61 110.976 -179.588 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.458 ' HB2' HG21 ' A' ' 107' ' ' ILE . 48.3 t80 -54.36 -40.82 68.48 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.417 -0.356 . . . . 0.46 111.431 178.884 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.461 ' O ' ' HG3' ' A' ' 55' ' ' GLN . 54.8 tp60 -62.5 -46.11 89.92 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.392 -0.367 . . . . 1.48 110.67 179.595 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.435 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 23.8 mmt180 -67.46 -31.63 71.92 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.291 -0.413 . . . . 3.69 110.87 -178.619 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 42.5 t -62.69 -44.48 96.13 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.051 -0.522 . . . . 0.54 109.97 178.549 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 66.5 mt -58.53 -45.64 90.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.863 -0.608 . . . . 0.44 111.106 177.26 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.461 ' HG3' ' O ' ' A' ' 51' ' ' GLN . 20.1 mt-30 -61.9 -50.33 72.63 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.109 -0.496 . . . . 2.54 111.045 -177.687 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.435 ' HG ' ' O ' ' A' ' 52' ' ' ARG . 72.9 mt -61.26 -36.94 81.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.4 111.544 178.386 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 21.4 ttmm -57.74 -45.8 85.33 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 109.843 -0.429 . . . . 1.78 109.843 176.315 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 98.6 mt-30 -60.24 -42.39 95.15 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.673 -0.694 . . . . 2.41 110.886 177.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.63 -43.72 88.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.446 . . . . 0.26 111.442 -178.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 81.9 mt -66.7 -43.12 90.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.529 -0.305 . . . . 0.36 110.518 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -59.75 -41.37 90.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.223 0.535 . . . . 0.64 110.198 177.405 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -62.52 -47.37 84.21 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.285 -0.871 . . . . 2.28 110.847 179.612 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -67.02 -39.75 87.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.481 -0.327 . . . . 1.07 110.994 178.465 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 64.5 tttp -57.0 -45.89 82.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.926 0.393 . . . . 1.48 110.489 175.807 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -66.86 -39.35 87.52 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.879 -0.601 . . . . 1.35 110.883 179.154 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -65.46 -39.9 92.57 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.1 -0.5 . . . . 0.46 110.466 178.177 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 60.3 tp -66.86 -44.7 80.29 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.566 -0.743 . . . . 0.57 110.989 179.646 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 57.5 tt0 -59.8 -29.13 68.02 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.123 0.487 . . . . 1.8 111.069 178.017 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 64.1 tttm -75.55 -14.81 60.42 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.804 -0.634 . . . . 2.67 110.535 -178.737 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 70.7 mt -103.71 51.9 0.78 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.986 -0.552 . . . . 2.13 110.434 179.223 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 10.6 t -104.66 155.47 18.83 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 121.083 -0.247 . . . . 3.1 111.055 -175.67 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 66.1 mttm 56.09 30.73 16.85 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 115.83 -0.623 . . . . 6.17 111.177 -179.753 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -80.13 -24.03 40.75 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.0 -0.546 . . . . 4.6 111.947 -175.645 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.459 ' HB2' ' CG ' ' A' ' 82' ' ' TYR . 36.0 t70 -83.66 -24.23 31.44 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.982 0.42 . . . . 6.87 110.559 -178.328 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 66.55 175.91 0.24 Allowed 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 115.258 -0.883 . . . . 6.68 111.685 176.778 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.413 ' OG ' ' HD2' ' A' ' 78' ' ' PRO . 12.6 t 66.45 -173.86 0.19 Allowed 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 115.767 -0.652 . . . . 5.08 111.416 177.194 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.447 ' N ' ' HD2' ' A' ' 78' ' ' PRO . . . -88.95 -50.03 0.4 Allowed Pre-proline 0 CA--C 1.538 0.498 0 N-CA-C 112.627 0.603 . . . . 4.62 112.627 -179.724 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.447 ' HD2' ' N ' ' A' ' 77' ' ' ALA . 53.8 Cg_endo -68.51 80.03 0.61 Allowed 'Trans proline' 0 C--N 1.361 1.211 0 C-N-CA 122.278 1.986 . . . . 3.94 112.622 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 16.2 m -109.78 24.17 3.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 115.625 -0.716 . . . . 3.47 111.103 -179.613 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -54.87 -49.21 71.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.891 -0.595 . . . . 2.32 112.138 -174.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 31.8 m-80 -68.63 -50.24 52.9 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.977 -0.556 . . . . 2.86 111.81 -176.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.459 ' CG ' ' HB2' ' A' ' 74' ' ' ASP . 32.7 t80 -67.55 -42.61 82.37 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.359 -0.382 . . . . 1.57 110.593 -174.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -71.69 -27.49 63.07 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.833 -0.347 . . . . 1.92 111.182 -178.582 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -65.08 -47.85 75.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.745 0.307 . . . . 3.57 110.694 177.809 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.417 ' O ' ' HG2' ' A' ' 89' ' ' GLU . 43.6 ttm180 -64.06 -40.36 96.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.171 0.51 . . . . 3.59 109.815 178.46 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 19.8 ttmm -62.52 -42.46 99.53 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.632 -0.713 . . . . 2.26 110.571 177.32 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -67.02 -38.16 85.44 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.392 -0.822 . . . . 2.94 110.791 179.498 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -65.05 -39.05 92.74 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.156 -0.474 . . . . 2.99 110.546 -179.476 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.419 ' O ' HD13 ' A' ' 93' ' ' LEU . 27.7 mm-40 -61.58 -44.74 96.45 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 110.047 -0.353 . . . . 1.83 110.047 175.101 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 7.4 m-70 -58.57 -42.58 88.3 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.339 -0.391 . . . . 0.58 110.436 176.422 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 33.4 m -62.93 -42.35 99.78 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.854 -0.612 . . . . 0.79 111.122 -179.565 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.53 ' O ' ' HG ' ' A' ' 96' ' ' LEU . 27.3 tp -70.73 -51.95 24.02 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.297 -0.411 . . . . 0.53 111.143 -178.47 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.419 HD13 ' O ' ' A' ' 89' ' ' GLU . 10.9 mp -61.82 -32.98 73.33 Favored 'General case' 0 CA--C 1.519 -0.215 0 CA-C-N 116.424 -0.353 . . . . 0.69 110.904 -177.584 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -63.89 -46.49 84.65 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.491 -0.322 . . . . 0.82 110.209 176.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.4 ' O ' ' HG3' ' A' ' 99' ' ' GLN . 54.8 tttp -61.35 -44.15 97.66 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.503 -0.317 . . . . 2.25 111.439 175.421 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.53 ' HG ' ' O ' ' A' ' 92' ' ' LEU . 84.4 mt -58.87 -44.87 91.16 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.308 -0.406 . . . . 0.4 110.135 178.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 28.8 m -58.37 -43.19 88.33 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.947 -0.57 . . . . 0.44 110.729 174.739 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -62.35 -46.76 87.21 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.736 0.303 . . . . 2.53 111.3 -179.268 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.4 ' HG3' ' O ' ' A' ' 95' ' ' LYS . 53.1 mt-30 -60.61 -39.78 89.44 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.995 -0.548 . . . . 2.3 110.984 -177.57 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 96.4 mt -74.35 -41.83 60.4 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.227 -0.442 . . . . 0.38 110.979 178.238 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 23.8 tm0? -62.99 -44.33 96.34 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.828 -0.624 . . . . 2.34 110.432 -178.392 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -62.07 -41.1 99.67 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.728 -0.749 . . . . 0.46 111.593 176.317 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 66.8 tp -63.38 -45.93 88.85 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.704 0.288 . . . . 0.66 110.937 178.685 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.88 -46.7 89.56 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.186 -0.461 . . . . 0.45 111.35 -177.292 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 71.0 t -62.03 -38.33 80.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 120.897 0.379 . . . . 0.68 110.79 179.018 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 92.4 m -61.54 -33.09 73.24 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.826 -0.625 . . . . 0.68 110.945 177.857 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.482 HG23 ' HG2' ' A' ' 46' ' ' ARG . 91.5 mt -79.27 -39.64 21.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.209 -0.451 . . . . 0.83 111.176 178.853 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 21.6 m -71.77 -17.74 62.16 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.122 0.487 . . . . 1.19 110.602 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 56.0 ttp180 -131.23 83.15 2.08 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 115.924 -0.58 . . . . 5.77 109.578 178.216 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -76.73 86.45 3.35 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.731 -0.668 . . . . 6.0 110.548 -177.68 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 94.3 m-20 -75.04 82.48 2.25 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.02 -0.536 . . . . 6.62 111.124 -178.704 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 27.8 mt -85.42 66.95 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 N-CA-C 108.92 -0.77 . . . . 8.37 108.92 175.588 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 37.5 p -87.6 137.94 31.9 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.48 -0.782 . . . . 9.67 111.521 -172.816 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -160.03 137.96 9.98 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.973 -0.558 . . . . 11.2 110.293 177.491 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 15.5 m -96.42 48.13 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-O 121.489 0.662 . . . . 12.46 110.552 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 86.67 -172.54 44.58 Favored Glycine 0 N--CA 1.446 -0.653 0 CA-C-N 115.342 -0.844 . . . . 13.58 111.715 -177.281 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -139.0 79.47 26.79 Favored Pre-proline 0 C--N 1.321 -0.652 0 N-CA-C 110.277 -0.268 . . . . 16.1 110.277 179.185 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 90.8 Cg_endo -80.35 52.04 4.16 Favored 'Trans proline' 0 N--CA 1.462 -0.33 0 C-N-CA 122.596 2.197 . . . . 18.52 112.279 -179.009 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 1.4 t . . . . . 0 C--O 1.25 1.103 0 CA-C-N 116.026 -0.534 . . . . 20.01 110.551 -178.549 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.784 0 N-CA-C 111.541 -0.624 . . . . 15.85 111.541 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -58.29 119.29 6.46 Favored 'Trans proline' 0 C--O 1.234 0.308 0 C-N-CA 122.627 2.218 . . . . 16.1 111.77 178.615 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' MET . . . . . 0.451 ' HA ' ' HB3' ' A' ' 6' ' ' LEU . 72.7 mtm -88.93 67.5 8.2 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.191 -0.459 . . . . 14.03 111.562 -176.573 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -76.58 -53.27 8.27 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.241 0.543 . . . . 12.6 109.542 175.514 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 25.1 ptm -125.94 -1.26 7.2 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.572 -0.74 . . . . 12.35 109.8 175.682 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.451 ' HB3' ' HA ' ' A' ' 3' ' ' MET . 54.0 tp -74.94 109.31 8.29 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.326 -0.852 . . . . 9.95 109.933 179.21 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -88.85 92.5 9.24 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.071 0.462 . . . . 8.65 111.296 -176.6 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 -130.87 46.75 2.62 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.333 0.587 . . . . 9.34 110.482 177.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 89.2 mtm180 -101.18 159.63 15.08 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.57 -0.741 . . . . 8.86 109.419 174.051 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 18.1 tp60 56.04 54.71 7.63 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.309 0.576 . . . . 6.88 109.779 -177.162 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.454 ' C ' ' HD3' ' A' ' 13' ' ' PRO . 77.2 mtm180 -80.07 74.99 6.83 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.699 -0.682 . . . . 6.91 110.522 -177.337 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -126.62 62.0 47.06 Favored Pre-proline 0 C--N 1.323 -0.567 0 CA-C-N 115.554 -0.748 . . . . 2.19 110.996 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.454 ' HD3' ' C ' ' A' ' 11' ' ' ARG . 32.0 Cg_exo -62.07 -28.78 80.47 Favored 'Trans proline' 0 C--N 1.35 0.631 0 C-N-CA 122.302 2.002 . . . . 1.45 111.505 -179.788 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 54.1 mt -57.14 -39.16 74.66 Favored 'General case' 0 C--O 1.221 -0.421 0 CA-C-N 115.534 -0.757 . . . . 0.85 111.228 -179.769 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -67.17 -48.54 67.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.77 0.319 . . . . 2.75 110.603 -177.726 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.1 -44.75 95.98 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.112 -0.494 . . . . 0.71 110.957 178.195 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 23.4 tp -67.19 -40.09 86.46 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.846 -0.615 . . . . 1.09 111.131 179.244 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.46 ' O ' ' HG3' ' A' ' 22' ' ' GLN . 35.3 ttm180 -60.2 -39.67 87.36 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 110.19 -0.3 . . . . 3.33 110.19 174.761 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 48.3 ttp180 -59.13 -43.19 91.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.137 -0.483 . . . . 3.76 110.061 175.743 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 89.2 mtt180 -61.0 -43.44 98.89 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 115.788 -0.642 . . . . 4.04 110.618 174.436 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -64.56 -34.6 78.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.492 -0.322 . . . . 1.34 111.316 178.739 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.46 ' HG3' ' O ' ' A' ' 18' ' ' ARG . 96.0 mt-30 -64.57 -31.5 72.75 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-O 120.924 0.392 . . . . 2.79 110.423 176.662 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.498 ' O ' ' HG3' ' A' ' 27' ' ' GLN . 39.0 tt0 -67.26 -45.71 75.86 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.535 -0.757 . . . . 2.14 109.183 177.648 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.489 ' O ' HG23 ' A' ' 28' ' ' VAL . 73.2 mt -65.52 -36.25 83.27 Favored 'General case' 0 C--O 1.224 -0.265 0 CA-C-N 115.704 -0.68 . . . . 0.68 110.772 175.382 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 37.5 ttmt -57.8 -41.67 82.63 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.97 -0.381 . . . . 1.9 109.97 178.606 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 52.4 tp60 -68.44 -34.12 75.42 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.229 -0.441 . . . . 2.6 110.442 178.26 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.498 ' HG3' ' O ' ' A' ' 23' ' ' GLU . 27.1 mt-30 -67.76 -34.68 77.29 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.656 -0.498 . . . . 1.37 109.656 178.231 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.489 HG23 ' O ' ' A' ' 24' ' ' LEU . 82.1 t -68.47 -48.7 71.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.889 -0.596 . . . . 0.4 110.006 177.393 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -59.63 -34.98 73.49 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.139 -0.482 . . . . 1.21 110.788 177.457 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 41.6 t -65.17 -44.66 87.78 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.199 -0.455 . . . . 1.3 110.57 177.463 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.45 HD11 HG23 ' A' ' 49' ' ' ILE . 52.0 tp -64.75 -48.31 75.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.42 -0.354 . . . . 1.14 110.335 -179.398 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 86.8 mt -60.45 -33.8 73.07 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.102 -0.499 . . . . 0.67 111.093 178.265 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 33.0 t -63.44 -42.55 98.68 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.065 -0.516 . . . . 1.29 110.181 178.443 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -75.56 -32.21 60.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.155 0.503 . . . . 1.86 109.998 -179.571 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 21.5 m -73.43 -10.59 59.89 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.616 -0.72 . . . . 1.33 111.301 179.763 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -100.4 -10.36 21.25 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.472 0.653 . . . . 2.91 109.473 -174.435 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 87.7 mt -66.82 136.54 55.59 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.332 -0.849 . . . . 0.95 110.176 -178.797 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 7.8 ptpp? -63.57 -29.64 70.87 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.199 -0.455 . . . . 3.61 109.959 177.092 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 44.3 mm-40 -73.07 -17.23 61.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.517 -0.765 . . . . 3.24 111.073 177.465 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -86.69 -0.21 55.84 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.326 -0.397 . . . . 1.2 111.467 -177.61 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 49.0 tp -72.51 -9.09 58.13 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.345 0.593 . . . . 2.76 110.253 176.778 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 22.3 mm-40 -73.63 129.86 84.68 Favored Pre-proline 0 C--N 1.323 -0.563 0 CA-C-N 115.813 -0.63 . . . . 3.43 110.499 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_exo -46.3 -43.66 21.13 Favored 'Trans proline' 0 C--N 1.348 0.538 0 C-N-CA 123.05 2.5 . . . . 1.63 114.184 -171.413 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 84.1 m-20 -59.69 -43.26 94.13 Favored 'General case' 0 N--CA 1.464 0.235 0 N-CA-C 111.491 0.182 . . . . 1.75 111.491 -176.818 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.41 ' O ' HG13 ' A' ' 49' ' ' ILE . 16.9 tppt? -64.6 -42.81 95.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.761 -0.2 . . . . 1.99 110.701 179.353 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 13.8 mmt180 -57.12 -43.83 82.74 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.379 -0.373 . . . . 3.72 110.832 179.603 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 68.3 mt-30 -61.44 -39.28 90.27 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.83 -0.623 . . . . 2.64 110.765 179.211 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 16.6 t60 -69.48 -34.87 74.98 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.994 -0.548 . . . . 1.02 110.152 -179.233 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.45 HG23 HD11 ' A' ' 31' ' ' LEU . 85.5 mt -65.96 -42.28 91.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.927 -0.578 . . . . 0.61 110.961 178.855 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 72.3 t80 -54.01 -41.02 67.51 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 116.34 -0.391 . . . . 0.46 111.355 178.592 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.56 ' O ' ' HG2' ' A' ' 55' ' ' GLN . 51.7 tp60 -67.06 -42.3 85.0 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.403 -0.362 . . . . 1.48 110.305 -179.474 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -66.53 -31.75 72.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.485 . . . . 3.69 111.307 179.042 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.448 ' SG ' ' HB2' ' A' ' 104' ' ' ALA . 45.7 t -67.29 -42.31 83.95 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.708 -0.478 . . . . 0.54 109.708 -178.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 60.8 mt -58.88 -39.96 78.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.826 -0.625 . . . . 0.44 110.876 176.263 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.56 ' HG2' ' O ' ' A' ' 51' ' ' GLN . 77.0 mm-40 -65.18 -50.84 64.4 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.08 -0.509 . . . . 2.54 111.165 -178.154 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.403 ' O ' HG13 ' A' ' 60' ' ' ILE . 65.6 mt -61.28 -38.25 86.11 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.464 -0.335 . . . . 0.4 111.675 178.667 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 64.0 tttm -62.43 -41.42 98.71 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.839 0.352 . . . . 1.78 110.213 179.761 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 47.3 tt0 -63.88 -38.41 90.98 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.927 -0.579 . . . . 2.41 110.442 176.705 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -66.3 -45.31 80.82 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.967 -0.56 . . . . 0.26 111.56 -179.285 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.403 HG13 ' O ' ' A' ' 56' ' ' LEU . 73.1 mt -64.67 -41.97 93.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 121.04 0.448 . . . . 0.36 110.016 179.562 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -59.84 -36.86 77.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.612 -0.722 . . . . 0.64 110.404 177.326 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 19.5 tp10 -61.36 -47.19 86.98 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.367 -0.833 . . . . 2.28 110.712 179.021 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -72.21 -33.68 67.78 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.738 -0.385 . . . . 1.07 110.983 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 59.9 tttp -56.79 -45.87 81.91 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 120.988 0.423 . . . . 1.48 110.073 173.18 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 -64.27 -37.54 87.86 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.739 -0.664 . . . . 1.35 110.89 179.012 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.446 ' O ' ' HG ' ' A' ' 70' ' ' LEU . . . -66.71 -45.88 77.35 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.027 -0.533 . . . . 0.46 110.115 177.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 53.3 tp -61.09 -42.8 99.18 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.497 -0.774 . . . . 0.57 111.025 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 51.0 tp60 -63.26 -31.18 72.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.112 -0.494 . . . . 1.8 111.451 178.348 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 26.2 tptp -80.83 -28.78 36.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.885 0.374 . . . . 2.67 110.674 -178.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.446 ' HG ' ' O ' ' A' ' 66' ' ' ALA . 91.4 mt -80.89 72.0 7.87 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.175 0.512 . . . . 2.13 110.339 178.743 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 23.4 m -98.9 149.22 23.16 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.772 -0.649 . . . . 3.1 110.397 -178.149 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 22.3 tttm -147.07 10.69 1.02 Allowed 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.838 -0.345 . . . . 6.17 110.954 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -79.67 -28.2 40.76 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.497 0.555 . . . . 4.6 112.497 -174.428 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -85.22 -25.14 27.52 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.741 -0.383 . . . . 6.87 110.914 -177.255 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -93.63 -7.96 42.42 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.219 -0.446 . . . . 6.68 111.115 -179.718 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 8.8 t -155.09 117.63 4.27 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.262 -0.426 . . . . 5.08 110.0 -177.654 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -84.77 -52.38 0.51 Allowed Pre-proline 0 C--N 1.322 -0.594 0 N-CA-C 112.357 0.502 . . . . 4.62 112.357 -179.273 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 90.8 Cg_endo -76.39 63.17 7.11 Favored 'Trans proline' 0 C--N 1.357 0.995 0 C-N-CA 122.036 1.824 . . . . 3.94 113.054 -179.352 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 10.5 m -136.62 47.86 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 121.178 0.513 . . . . 3.47 110.782 176.833 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.72 -33.38 71.56 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.869 -0.605 . . . . 2.32 111.384 -178.629 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.431 ' O ' ' HG3' ' A' ' 85' ' ' ARG . 21.9 p-10 -65.71 -39.66 91.43 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.865 -0.607 . . . . 2.86 110.906 177.35 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 36.0 t80 -69.05 -40.55 78.47 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.63 -0.508 . . . . 1.57 109.63 178.472 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.551 ' O ' ' HG3' ' A' ' 87' ' ' GLU . 91.4 m-20 -66.43 -42.85 87.08 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.944 -0.571 . . . . 1.92 111.027 -179.516 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 8.9 tp60 -60.17 -45.73 92.08 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.427 -0.351 . . . . 3.57 111.355 -177.437 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.431 ' HG3' ' O ' ' A' ' 81' ' ' ASN . 97.1 mtt180 -63.17 -33.11 74.76 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.232 0.539 . . . . 3.59 109.913 -179.329 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 21.5 ttmm -70.65 -44.16 67.71 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.334 -0.848 . . . . 2.26 110.751 178.253 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.551 ' HG3' ' O ' ' A' ' 83' ' ' ASN . 48.3 mt-10 -68.49 -43.22 77.36 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.343 -0.39 . . . . 2.94 110.805 -178.807 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 40.6 mm-40 -65.06 -31.57 72.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.332 -0.395 . . . . 2.99 110.993 179.558 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 23.4 tp10 -68.55 -35.34 77.28 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.784 -0.45 . . . . 1.83 109.784 178.541 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 10.8 m80 -61.33 -42.58 98.92 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.191 -0.459 . . . . 0.58 110.194 174.648 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 18.8 m -61.42 -38.51 87.39 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.789 -0.641 . . . . 0.79 110.929 178.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 63.2 tp -70.92 -51.45 25.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 0.53 111.115 179.375 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 94.8 mt -64.58 -32.98 74.86 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.139 -0.482 . . . . 0.69 111.365 -175.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -63.86 -45.28 90.19 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.596 -0.275 . . . . 0.82 110.394 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 55.7 tttp -59.29 -49.53 77.49 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.619 -0.264 . . . . 2.25 111.38 177.798 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 86.4 mt -59.27 -46.39 88.64 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.379 -0.373 . . . . 0.4 110.806 -178.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 27.6 m -59.7 -45.87 90.79 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.422 -0.353 . . . . 0.44 111.179 176.191 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 7.2 tp60 -64.47 -40.57 95.93 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.169 -0.469 . . . . 2.53 111.263 -178.207 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 31.4 tt0 -65.02 -41.88 94.88 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.754 -0.657 . . . . 2.3 110.614 -177.75 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.417 HD11 HG22 ' A' ' 28' ' ' VAL . 77.6 mt -71.12 -47.19 59.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.952 -0.567 . . . . 0.38 111.043 179.697 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 51.0 tp60 -61.47 -35.75 78.51 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.177 -0.465 . . . . 2.34 110.388 -178.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -64.9 -45.29 92.93 Favored Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 120.523 -0.846 . . . . 0.46 111.618 175.294 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 65.0 tp -64.31 -41.24 96.92 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.911 0.386 . . . . 0.66 110.578 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.448 ' HB2' ' SG ' ' A' ' 53' ' ' CYS . . . -58.14 -46.44 85.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.841 -0.618 . . . . 0.45 110.872 -179.758 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 97.4 t -67.55 -34.83 70.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.813 0.34 . . . . 0.68 110.671 178.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 88.1 m -61.07 -39.97 91.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.937 0.399 . . . . 0.68 110.681 177.527 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 65.9 mt -78.98 -35.27 17.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 121.017 0.436 . . . . 0.83 110.646 178.299 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' SER . . . . . 0.438 ' O ' HD11 ' A' ' 112' ' ' ILE . 38.6 t -63.73 -27.15 69.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.027 -0.533 . . . . 1.19 110.499 178.9 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 74.8 mtp180 -119.64 54.25 1.01 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.909 -0.587 . . . . 5.77 109.661 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -81.06 -57.19 3.64 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.578 -0.737 . . . . 6.0 110.348 -175.117 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 65.9 t30 -153.95 69.94 0.8 Allowed 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.676 -0.49 . . . . 6.62 109.676 -177.804 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.438 HD11 ' O ' ' A' ' 108' ' ' SER . 34.8 mt -91.72 -80.92 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 116.319 -0.4 . . . . 8.37 111.563 -176.075 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 1.1 m -100.16 0.3 40.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.116 0.484 . . . . 9.67 111.38 -171.669 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -83.23 16.14 2.58 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.178 0.513 . . . . 11.2 111.396 -177.463 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 3.6 m -126.18 25.17 2.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 115.702 -0.681 . . . . 12.46 109.604 172.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -112.92 111.42 2.74 Favored Glycine 0 N--CA 1.449 -0.464 0 CA-C-N 115.05 -0.977 . . . . 13.58 111.733 -179.198 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -128.53 155.72 78.35 Favored Pre-proline 0 C--N 1.324 -0.533 0 N-CA-C 110.203 -0.295 . . . . 16.1 110.203 -178.396 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 92.2 Cg_endo -81.27 57.37 6.43 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.43 2.087 . . . . 18.52 111.853 -179.137 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 25.9 m . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.427 -0.797 . . . . 20.01 109.764 -179.485 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.719 0 N-CA-C 111.831 -0.507 . . . . 15.85 111.831 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 26.8 Cg_exo -62.51 -35.42 71.36 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.598 2.198 . . . . 16.1 112.287 -179.273 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 26.5 mmt -129.67 60.79 1.57 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.029 0.442 . . . . 14.03 110.156 -179.522 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -73.26 -26.89 61.28 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.16 -0.473 . . . . 12.6 110.688 179.686 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 59.8 ttp -103.04 97.85 7.88 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.502 -0.555 . . . . 12.35 109.502 175.478 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 91.7 mt -77.48 66.07 3.14 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.121 0.486 . . . . 9.95 111.729 -177.584 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -81.96 74.6 8.93 Favored 'General case' 0 N--CA 1.449 -0.479 0 N-CA-C 109.288 -0.634 . . . . 8.65 109.288 174.235 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 27.6 mmm180 -60.96 -67.42 0.4 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.265 -0.88 . . . . 9.34 111.416 -172.718 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 76.1 mtt180 70.66 -54.63 0.65 Allowed 'General case' 0 N--CA 1.473 0.71 0 N-CA-C 113.26 0.837 . . . . 8.86 113.26 174.35 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 55.3 tp60 -63.22 -68.28 0.35 Allowed 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 111.886 0.328 . . . . 6.88 111.886 -174.273 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 86.3 mtm180 -96.62 -21.5 17.6 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.022 0.439 . . . . 6.91 110.569 -177.765 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -125.04 68.72 57.14 Favored Pre-proline 0 C--N 1.324 -0.54 0 CA-C-N 116.077 -0.51 . . . . 2.19 111.098 178.554 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -64.37 -35.71 48.77 Favored 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 122.419 2.079 . . . . 1.45 111.269 176.77 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 73.5 mt -62.5 -39.93 95.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.534 -0.757 . . . . 0.85 110.982 -177.51 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 50.9 tt0 -66.09 -48.3 71.4 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.612 0.244 . . . . 2.75 110.966 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.94 -45.17 78.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.926 0.393 . . . . 0.71 110.908 -178.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 39.2 tp -62.62 -36.83 84.03 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.976 -0.556 . . . . 1.09 110.868 177.654 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.443 ' HB2' ' NH2' ' A' ' 85' ' ' ARG . 76.5 ttt180 -59.14 -35.51 73.62 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-O 120.748 0.309 . . . . 3.33 110.331 177.251 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 38.4 mtp85 -61.55 -42.17 98.44 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.139 0.495 . . . . 3.76 110.172 176.787 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 31.0 mmt180 -70.69 -36.23 73.18 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.928 -0.578 . . . . 4.04 110.904 175.739 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 97.5 m-20 -63.82 -40.73 97.32 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.631 0.253 . . . . 1.34 110.598 175.876 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 53.1 tt0 -63.74 -32.0 73.36 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.03 0.443 . . . . 2.79 110.418 177.004 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.403 ' O ' ' HG3' ' A' ' 27' ' ' GLN . 9.3 tp10 -65.86 -48.2 72.37 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.419 -0.81 . . . . 2.14 109.0 -179.601 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.468 ' O ' HG23 ' A' ' 28' ' ' VAL . 91.0 mt -67.87 -36.75 80.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.126 -0.943 . . . . 0.68 110.595 178.214 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 20.4 tptm -57.8 -46.52 84.52 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.52 -0.309 . . . . 1.9 110.785 178.484 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 22.4 mm-40 -64.17 -32.76 74.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.031 0.443 . . . . 2.6 110.508 179.188 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.403 ' HG3' ' O ' ' A' ' 23' ' ' GLU . 78.6 mt-30 -70.03 -33.92 72.61 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.951 -0.568 . . . . 1.37 109.798 178.316 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.468 HG23 ' O ' ' A' ' 24' ' ' LEU . 74.9 t -67.75 -43.62 86.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 N-CA-C 109.901 -0.407 . . . . 0.4 109.901 176.545 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -58.02 -36.56 72.88 Favored 'General case' 0 CA--C 1.519 -0.244 0 CA-C-O 121.108 0.48 . . . . 1.21 109.936 175.484 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.607 ' O ' ' HG2' ' A' ' 34' ' ' GLU . 42.2 m -66.88 -40.86 87.94 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.597 -0.729 . . . . 1.3 110.621 178.524 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.434 HD13 ' O ' ' A' ' 31' ' ' LEU . 1.6 tm? -65.16 -40.85 94.92 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.472 -0.566 . . . . 1.14 109.472 -179.243 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.461 ' O ' ' HG2' ' A' ' 36' ' ' GLN . 97.0 mt -63.35 -40.48 97.41 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.106 -0.497 . . . . 0.67 111.058 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 11.9 p -71.42 -32.21 68.13 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.458 -0.337 . . . . 1.29 111.773 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.607 ' HG2' ' O ' ' A' ' 30' ' ' SER . 42.3 mm-40 -75.5 -37.86 59.87 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 121.188 0.518 . . . . 1.86 110.872 -178.008 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 22.0 p -71.65 -11.21 60.72 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.84 -0.618 . . . . 1.33 112.088 -174.15 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.461 ' HG2' ' O ' ' A' ' 32' ' ' LEU . 34.8 mm-40 -103.39 1.51 32.7 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.972 -0.381 . . . . 2.91 109.972 -176.748 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.591 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 93.7 mt -75.87 133.94 40.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.066 -0.515 . . . . 0.95 110.14 -178.671 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 54.9 mttp -65.4 -33.32 75.68 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.273 -0.876 . . . . 3.61 110.804 -175.826 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -76.45 -21.83 55.38 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.083 -0.508 . . . . 3.24 110.681 178.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.456 ' HB1' HD11 ' A' ' 49' ' ' ILE . . . -92.38 -0.86 57.34 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.987 -0.551 . . . . 1.2 111.144 -176.688 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.591 ' HG ' ' O ' ' A' ' 37' ' ' LEU . 92.2 mt -85.21 3.99 36.73 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.847 -0.615 . . . . 2.76 110.765 179.153 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.543 ' O ' ' HG3' ' A' ' 46' ' ' ARG . 51.7 mm-40 -69.31 143.52 93.71 Favored Pre-proline 0 C--N 1.325 -0.496 0 CA-C-N 115.967 -0.56 . . . . 3.43 110.343 177.898 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_endo -50.28 -48.41 20.13 Favored 'Trans proline' 0 C--N 1.348 0.52 0 C-N-CA 122.897 2.398 . . . . 1.63 113.445 -171.401 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -68.55 -40.79 80.51 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.816 -0.175 . . . . 1.75 111.084 -174.843 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.407 ' HG2' ' HA ' ' A' ' 40' ' ' ALA . 27.7 tptp -62.52 -31.41 72.18 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.635 -0.257 . . . . 1.99 110.877 -179.586 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.543 ' HG3' ' O ' ' A' ' 42' ' ' GLU . 96.0 mtt180 -56.7 -42.08 78.52 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.396 -0.365 . . . . 3.72 110.756 178.625 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -64.66 -36.06 83.03 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.938 0.399 . . . . 2.64 110.815 178.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 7.8 t60 -69.86 -38.8 76.55 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.978 -0.555 . . . . 1.02 110.065 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.456 HD11 ' HB1' ' A' ' 40' ' ' ALA . 65.2 mt -69.45 -43.4 80.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.286 -0.416 . . . . 0.61 110.188 178.317 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 58.6 t80 -54.28 -40.27 67.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 0.46 110.879 175.73 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 57.6 tp60 -64.46 -44.88 89.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.029 0.443 . . . . 1.48 110.38 177.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.453 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 28.3 mmm180 -65.76 -33.03 74.92 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.052 -0.522 . . . . 3.69 110.953 -179.595 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 31.3 t -68.0 -41.67 81.91 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.078 -0.51 . . . . 0.54 109.763 179.11 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 62.0 mt -59.06 -40.78 81.59 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-N 115.787 -0.642 . . . . 0.44 110.722 175.475 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 58.2 tp60 -60.73 -50.1 74.84 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.26 -0.427 . . . . 2.54 110.7 -179.387 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.453 ' HG ' ' O ' ' A' ' 52' ' ' ARG . 52.6 mt -60.61 -40.19 90.94 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.242 -0.435 . . . . 0.4 111.405 178.079 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 39.8 ttpt -61.35 -45.85 92.67 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.997 0.427 . . . . 1.78 110.566 -178.786 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -64.11 -35.85 82.11 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.79 -0.641 . . . . 2.41 111.05 178.532 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -67.03 -40.01 87.1 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.348 -0.387 . . . . 0.26 111.195 179.508 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.442 HG13 ' O ' ' A' ' 56' ' ' LEU . 77.9 mt -66.79 -44.07 89.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.363 -0.38 . . . . 0.36 110.376 178.833 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -60.07 -36.3 77.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.83 -0.623 . . . . 0.64 109.988 178.407 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -61.0 -47.27 87.22 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.403 -0.817 . . . . 2.28 110.99 177.812 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 7.6 m-20 -65.46 -42.79 91.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.446 . . . . 1.07 110.743 178.65 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 84.5 tttt -60.23 -46.09 90.96 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.893 -0.594 . . . . 1.48 110.677 178.606 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -66.09 -36.48 83.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.082 -0.508 . . . . 1.35 111.092 -178.404 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -63.86 -47.48 80.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.985 0.421 . . . . 0.46 110.694 177.425 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 56.8 tp -63.56 -43.8 95.98 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.9 -0.591 . . . . 0.57 110.75 179.313 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 63.5 tt0 -63.56 -28.43 69.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.87 -0.605 . . . . 1.8 111.122 179.548 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 28.7 ttpp -76.58 -20.77 56.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.943 0.402 . . . . 2.67 110.759 -178.842 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 97.9 mt -77.09 73.74 3.67 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.236 0.541 . . . . 2.13 110.367 178.264 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 36.8 m -94.41 42.81 1.1 Allowed 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.821 -0.627 . . . . 3.1 110.726 -178.62 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.442 ' HG3' ' O ' ' A' ' 72' ' ' LYS . 47.2 pttt -79.55 87.69 5.12 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.362 0.601 . . . . 6.17 110.039 178.751 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -79.58 -29.25 41.19 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.186 -0.461 . . . . 4.6 111.726 -177.014 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -101.18 -25.69 13.92 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.584 -0.446 . . . . 6.87 111.297 -177.641 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.401 ' HB2' ' HB2' ' A' ' 72' ' ' LYS . 38.8 mt-10 -91.18 41.71 1.07 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.336 0.588 . . . . 6.68 110.456 177.218 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 22.9 t -160.85 161.58 31.94 Favored 'General case' 0 N--CA 1.446 -0.641 0 CA-C-N 115.304 -0.862 . . . . 5.08 108.872 -178.535 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -115.96 89.66 25.33 Favored Pre-proline 0 C--N 1.322 -0.619 0 N-CA-C 110.391 -0.226 . . . . 4.62 110.391 178.607 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 7.4 Cg_exo -73.92 59.53 4.35 Favored 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 122.993 2.462 . . . . 3.94 112.286 178.708 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 22.0 t -80.91 -70.81 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.433 -0.349 . . . . 3.47 111.082 -177.638 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -155.57 -63.95 0.12 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.605 0.24 . . . . 2.32 111.628 -178.402 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -58.11 -42.04 84.88 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-O 120.879 0.371 . . . . 2.86 111.067 -177.241 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 26.7 t80 -66.12 -38.36 88.0 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.944 -0.571 . . . . 1.57 110.198 -179.188 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 76.1 m-20 -68.64 -41.07 79.89 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-O 121.177 0.513 . . . . 1.92 110.278 -179.382 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' GLN . . . . . 0.498 ' O ' ' HG2' ' A' ' 88' ' ' GLU . 57.7 tt0 -61.16 -51.0 70.9 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.394 -0.821 . . . . 3.57 110.869 -177.486 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.467 ' O ' ' HG2' ' A' ' 89' ' ' GLU . 11.2 mtp180 -67.92 -35.17 77.98 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.395 -0.366 . . . . 3.59 111.688 -176.058 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 38.8 ttmt -59.5 -39.56 84.21 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.108 0.48 . . . . 2.26 110.277 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 15.9 tp10 -71.73 -39.63 69.97 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.89 -0.596 . . . . 2.94 110.386 178.055 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.498 ' HG2' ' O ' ' A' ' 84' ' ' GLN . 47.9 mm-40 -63.98 -37.72 88.44 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.09 -0.504 . . . . 2.99 111.595 -176.9 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.467 ' HG2' ' O ' ' A' ' 85' ' ' ARG . 70.0 mm-40 -60.82 -42.63 98.06 Favored 'General case' 0 C--N 1.332 -0.163 0 N-CA-C 109.598 -0.519 . . . . 1.83 109.598 177.499 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 50.5 m80 -63.53 -37.95 89.26 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.872 -0.604 . . . . 0.58 110.503 176.474 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 25.9 m -65.92 -38.9 89.89 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.999 0.428 . . . . 0.79 111.031 -179.41 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.457 ' O ' ' HG ' ' A' ' 96' ' ' LEU . 57.8 tp -70.22 -51.9 27.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.102 -0.499 . . . . 0.53 110.648 179.525 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 89.9 mt -66.29 -33.37 75.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.494 . . . . 0.69 111.096 -175.891 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -64.43 -45.24 88.36 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.742 -0.208 . . . . 0.82 111.126 -178.434 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 59.9 tttp -62.36 -45.1 94.71 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.725 0.298 . . . . 2.25 110.555 178.338 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.457 ' HG ' ' O ' ' A' ' 92' ' ' LEU . 86.4 mt -59.24 -46.57 88.14 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.94 -0.573 . . . . 0.4 110.485 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 28.0 m -58.86 -46.1 88.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.23 -0.441 . . . . 0.44 111.335 177.318 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 60.5 tp60 -68.46 -41.17 80.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.28 -0.418 . . . . 2.53 111.1 -176.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -63.76 -48.23 77.81 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.983 -0.553 . . . . 2.3 110.766 -179.678 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 66.8 mt -63.95 -44.56 92.46 Favored 'General case' 0 C--O 1.222 -0.369 0 CA-C-N 116.194 -0.457 . . . . 0.38 110.776 -178.682 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 52.3 tp60 -61.51 -40.68 95.5 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.451 -0.34 . . . . 2.34 110.361 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -67.51 -43.32 86.93 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.763 -0.732 . . . . 0.46 111.998 177.873 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.467 ' O ' HG13 ' A' ' 107' ' ' ILE . 54.3 tp -68.16 -42.8 79.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.546 0.213 . . . . 0.66 110.895 -179.64 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -56.08 -46.75 78.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.948 0.404 . . . . 0.45 110.933 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 96.3 t -65.4 -32.55 58.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.0 -0.545 . . . . 0.68 110.604 178.183 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 60.4 m -66.92 -42.11 85.92 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.232 -0.44 . . . . 0.68 110.683 176.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.467 HG13 ' O ' ' A' ' 103' ' ' LEU . 73.0 mt -68.78 -40.27 81.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.196 -0.456 . . . . 0.83 110.761 -178.884 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 41.9 t -80.16 -5.51 56.17 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.026 -0.533 . . . . 1.19 110.241 -179.564 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 24.7 mmt180 65.76 -166.92 0.22 Allowed 'General case' 0 C--O 1.232 0.177 0 CA-C-N 115.346 -0.843 . . . . 5.77 111.412 178.867 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -78.23 46.45 0.61 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.399 0.619 . . . . 6.0 111.023 -179.207 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -83.12 69.53 9.89 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.745 -0.661 . . . . 6.62 109.289 177.538 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 78.9 mt -61.15 -37.05 76.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.655 -0.702 . . . . 8.37 109.707 179.508 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 12.2 m -78.94 61.66 3.2 Favored 'General case' 0 N--CA 1.448 -0.557 0 CA-C-N 115.569 -0.741 . . . . 9.67 109.902 174.103 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -93.96 -12.42 28.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.829 -0.623 . . . . 11.2 110.523 179.096 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 24.5 t -81.49 87.29 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.819 -0.628 . . . . 12.46 110.716 -176.322 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -87.33 71.54 2.67 Favored Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.912 -0.661 . . . . 13.58 111.478 176.053 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -121.24 106.45 38.34 Favored Pre-proline 0 C--N 1.325 -0.494 0 CA-C-O 120.608 0.242 . . . . 16.1 110.762 -176.815 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 89.8 Cg_endo -80.41 24.08 0.67 Allowed 'Trans proline' 0 CA--C 1.53 0.317 0 C-N-CA 122.554 2.169 . . . . 18.52 112.389 178.71 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 2.7 p . . . . . 0 C--O 1.251 1.154 0 CA-C-O 118.691 -0.671 . . . . 20.01 111.087 -179.756 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.791 0 N-CA-C 111.981 -0.447 . . . . 15.85 111.981 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -61.89 123.73 13.16 Favored 'Trans proline' 0 C--O 1.236 0.384 0 C-N-CA 122.795 2.33 . . . . 16.1 112.408 -178.5 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 70.7 mtm 60.94 -159.01 0.32 Allowed 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 115.659 -0.701 . . . . 14.03 111.014 179.676 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -90.47 -60.01 2.03 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.882 0.372 . . . . 12.6 111.01 -179.751 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 50.0 tpp -127.65 90.52 3.13 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.06 0.457 . . . . 12.35 110.541 -178.082 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 63.0 tp -104.24 124.05 48.44 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.025 -0.534 . . . . 9.95 110.194 176.14 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -76.06 68.49 2.53 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.33 0.586 . . . . 8.65 110.573 176.843 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 15.3 ptm180 -85.05 -20.34 30.58 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.273 -0.876 . . . . 9.34 110.821 -178.514 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 57.5 mtp180 -119.49 113.55 20.92 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.359 -0.382 . . . . 8.86 110.198 177.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 55.4 tt0 -80.07 77.12 6.79 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.099 0.476 . . . . 6.88 109.991 178.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 28.2 mmm180 -89.81 142.54 27.59 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.06 -0.518 . . . . 6.91 110.028 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.8 t70 59.53 72.82 0.74 Allowed Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.101 0.876 . . . . 2.19 110.698 -178.051 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.444 ' HB2' HD11 ' A' ' 70' ' ' LEU . 31.5 Cg_exo -60.12 -28.66 87.44 Favored 'Trans proline' 0 C--N 1.348 0.532 0 C-N-CA 123.194 2.596 . . . . 1.45 112.935 -177.773 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 95.2 mt -57.74 -38.87 76.1 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.675 -0.239 . . . . 0.85 110.707 178.71 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 62.0 tt0 -62.01 -45.15 94.88 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-O 120.729 0.3 . . . . 2.75 110.989 177.615 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.93 -45.01 94.52 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.993 0.425 . . . . 0.71 110.658 179.447 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.461 HD21 ' HB2' ' A' ' 67' ' ' LEU . 51.3 tp -64.91 -37.78 88.78 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.969 -0.56 . . . . 1.09 110.879 177.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.436 ' O ' ' HG2' ' A' ' 22' ' ' GLN . 37.7 ttp180 -58.7 -37.84 76.98 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.827 -0.434 . . . . 3.33 109.827 177.486 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 68.7 ttt180 -63.74 -42.32 97.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.968 -0.56 . . . . 3.76 110.154 176.523 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.415 HH11 ' HD2' ' A' ' 20' ' ' ARG . 36.4 mtp85 -61.74 -42.34 98.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.805 -0.634 . . . . 4.04 110.781 175.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 89.5 m-20 -63.18 -39.08 93.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.465 -0.334 . . . . 1.34 111.368 178.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.436 ' HG2' ' O ' ' A' ' 18' ' ' ARG . 18.0 mm-40 -63.58 -32.27 73.68 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-O 121.237 0.542 . . . . 2.79 110.477 177.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.477 ' O ' ' HG3' ' A' ' 27' ' ' GLN . 35.8 tt0 -70.29 -44.43 68.37 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.57 -0.741 . . . . 2.14 109.622 178.737 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.608 HD11 ' ND2' ' A' ' 63' ' ' ASN . 97.3 mt -64.65 -40.19 95.01 Favored 'General case' 0 CA--C 1.516 -0.331 0 CA-C-N 115.717 -0.674 . . . . 0.68 110.93 178.31 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 53.4 tttm -58.14 -40.97 82.67 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.774 0.321 . . . . 1.9 110.412 179.759 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -64.56 -34.31 77.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.28 -0.418 . . . . 2.6 110.4 178.1 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.477 ' HG3' ' O ' ' A' ' 23' ' ' GLU . 74.6 mt-30 -69.23 -37.18 77.87 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.026 -0.534 . . . . 1.37 110.313 179.771 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 85.6 t -68.96 -46.65 78.6 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-N 116.199 -0.455 . . . . 0.4 110.316 179.02 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -60.0 -33.11 71.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.049 -0.523 . . . . 1.21 110.513 176.348 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 26.7 t -64.24 -42.61 96.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 1.3 110.134 177.327 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.462 HD11 HG23 ' A' ' 49' ' ' ILE . 44.5 tp -62.41 -47.08 85.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.08 -0.509 . . . . 1.14 110.202 177.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 94.5 mt -59.65 -33.02 71.01 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.601 -0.727 . . . . 0.67 110.904 177.706 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 32.4 t -62.64 -41.93 99.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.409 -0.36 . . . . 1.29 110.511 178.736 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -73.69 -40.46 63.62 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.306 0.574 . . . . 1.86 109.757 179.238 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 29.0 t -68.88 -10.04 54.88 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.245 -0.888 . . . . 1.33 111.453 -178.38 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 27.3 tt0 -96.64 -5.01 39.99 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.594 0.712 . . . . 2.91 109.78 -175.068 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 85.6 mt -88.74 153.38 21.14 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.643 -0.708 . . . . 0.95 110.307 -177.767 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 62.4 tttp -71.75 -29.98 65.1 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.111 -0.495 . . . . 3.61 110.148 178.741 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -68.02 -17.79 64.52 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.688 -0.687 . . . . 3.24 110.881 179.15 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -74.65 -13.38 60.63 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.074 -0.512 . . . . 1.2 111.642 -176.695 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 27.0 tp -85.45 3.69 39.03 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.419 0.628 . . . . 2.76 110.151 178.708 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.565 ' OE1' ' HD2' ' A' ' 43' ' ' PRO . 10.5 tp10 -81.45 119.2 75.01 Favored Pre-proline 0 C--N 1.324 -0.514 0 N-CA-C 108.86 -0.792 . . . . 3.43 108.86 175.36 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.565 ' HD2' ' OE1' ' A' ' 42' ' ' GLU . 82.7 Cg_exo -45.66 -42.51 19.0 Favored 'Trans proline' 0 C--N 1.352 0.715 0 C-N-CA 123.026 2.484 . . . . 1.63 114.203 -170.425 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 7.2 m-20 -59.81 -47.95 83.64 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 120.566 0.222 . . . . 1.75 111.182 -178.529 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.449 ' O ' HG13 ' A' ' 49' ' ' ILE . 0.0 OUTLIER -74.37 -37.84 63.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.981 0.42 . . . . 1.99 110.629 178.645 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.52 HH12 ' CD ' ' A' ' 110' ' ' GLU . 39.7 ttt180 -61.37 -43.35 99.02 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.514 -0.767 . . . . 3.72 111.092 -177.431 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.403 ' HG2' ' O ' ' A' ' 43' ' ' PRO . 11.7 mm100 -68.11 -31.66 71.42 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-O 120.989 0.423 . . . . 2.64 110.342 178.081 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 33.0 t60 -66.99 -34.54 77.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.034 -0.53 . . . . 1.02 109.842 177.324 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.462 HG23 HD11 ' A' ' 31' ' ' LEU . 70.3 mt -59.42 -41.7 85.34 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.144 0 CA-C-N 116.279 -0.419 . . . . 0.61 110.382 176.323 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 26.6 t80 -54.74 -40.92 69.79 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 116.098 -0.501 . . . . 0.46 111.236 176.278 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 59.5 tp60 -65.95 -44.11 85.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.872 0.368 . . . . 1.48 110.532 179.229 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.537 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 82.5 mtt180 -61.23 -36.71 80.68 Favored 'General case' 0 CA--C 1.52 -0.21 0 CA-C-O 121.003 0.43 . . . . 3.69 110.549 177.093 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 4.6 t -67.49 -42.32 83.11 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.482 -0.781 . . . . 0.54 109.909 -175.556 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 69.0 mt -59.95 -47.69 90.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.885 -0.598 . . . . 0.44 111.037 176.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 25.8 tm0? -63.15 -49.33 74.76 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.256 -0.429 . . . . 2.54 110.973 -176.515 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.537 ' HG ' ' O ' ' A' ' 52' ' ' ARG . 78.4 mt -59.91 -37.0 78.17 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.593 -0.276 . . . . 0.4 111.391 178.466 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 82.2 tttt -64.74 -39.44 93.63 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.961 0.41 . . . . 1.78 110.038 178.365 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 -63.56 -35.72 81.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.89 -0.595 . . . . 2.41 110.858 178.618 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -68.15 -40.11 82.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.27 -0.423 . . . . 0.26 111.018 179.496 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 65.7 mt -67.28 -42.31 87.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-O 120.933 0.397 . . . . 0.36 110.266 178.499 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -59.57 -39.76 85.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.851 -0.613 . . . . 0.64 110.2 178.166 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -61.35 -47.81 84.19 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.486 -0.779 . . . . 2.28 111.002 179.399 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ASN . . . . . 0.608 ' ND2' HD11 ' A' ' 24' ' ' LEU . 28.8 m-80 -69.89 -37.09 75.91 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.207 -0.451 . . . . 1.07 110.81 -179.736 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 81.7 tttt -60.26 -44.55 95.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.99 0.424 . . . . 1.48 110.125 174.609 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -67.53 -36.23 80.61 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.917 -0.583 . . . . 1.35 110.719 179.18 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -62.17 -44.22 97.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.092 0.472 . . . . 0.46 110.413 177.785 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.461 ' HB2' HD21 ' A' ' 17' ' ' LEU . 32.0 tp -64.04 -42.44 97.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.658 -0.701 . . . . 0.57 111.071 178.63 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -73.54 -24.12 60.09 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.066 0.46 . . . . 1.8 110.631 179.644 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -74.76 -24.13 58.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.419 0.628 . . . . 2.67 109.692 175.151 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.444 HD11 ' HB2' ' A' ' 13' ' ' PRO . 2.8 tt -79.35 68.68 5.42 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 108.727 -0.842 . . . . 2.13 108.727 176.144 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 41.8 m -88.72 90.52 8.44 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.127 -0.942 . . . . 3.1 111.263 -175.792 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -103.38 48.07 0.86 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.408 0.623 . . . . 6.17 109.587 173.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -73.32 -7.7 52.72 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.405 -0.816 . . . . 4.6 111.284 -178.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.418 ' O ' ' HB3' ' A' ' 75' ' ' GLU . 8.1 p-10 -81.2 3.78 22.54 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.986 -0.552 . . . . 6.87 110.025 176.501 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.418 ' HB3' ' O ' ' A' ' 74' ' ' ASP . 35.7 tt0 81.25 108.64 0.07 Allowed 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 114.782 -1.099 . . . . 6.68 111.694 174.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 12.0 p -103.86 -61.7 1.4 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.658 -0.701 . . . . 5.08 110.055 176.848 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -162.02 63.0 1.47 Allowed Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 115.98 -0.554 . . . . 4.62 111.199 177.008 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_endo -83.07 60.07 6.91 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.397 2.064 . . . . 3.94 111.832 -178.423 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 60.1 t -73.5 -62.11 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-N 115.817 -0.629 . . . . 3.47 111.059 -177.472 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -158.7 -58.29 0.07 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.812 0.339 . . . . 2.32 111.267 179.396 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -64.26 -37.4 87.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.264 -0.425 . . . . 2.86 111.01 -178.679 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 11.8 t80 -56.96 -39.99 75.63 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.208 -0.451 . . . . 1.57 110.606 -177.349 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -71.61 -45.76 61.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.015 0.436 . . . . 1.92 110.526 -178.635 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' GLN . . . . . 0.431 ' O ' ' HG2' ' A' ' 88' ' ' GLU . 48.1 mt-30 -68.58 -48.29 64.57 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.627 -0.715 . . . . 3.57 111.105 -176.055 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -63.53 -37.68 88.23 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.229 -0.441 . . . . 3.59 111.118 -175.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 35.7 ttmt -61.37 -46.31 90.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.067 0.46 . . . . 2.26 110.629 178.549 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -71.71 -35.56 70.26 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.04 -0.527 . . . . 2.94 111.161 -178.552 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.431 ' HG2' ' O ' ' A' ' 84' ' ' GLN . 63.6 mm-40 -58.01 -40.82 81.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.655 0.264 . . . . 2.99 111.402 -179.533 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -69.61 -35.14 75.01 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.811 -0.356 . . . . 1.83 110.368 179.534 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 9.4 m-70 -61.06 -46.88 88.9 Favored 'General case' 0 N--CA 1.464 0.259 0 N-CA-C 109.762 -0.458 . . . . 0.58 109.762 173.241 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 25.6 m -58.1 -43.13 86.95 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.639 -0.709 . . . . 0.79 111.245 -179.246 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.449 ' O ' ' HG ' ' A' ' 96' ' ' LEU . 60.5 tp -70.44 -52.4 22.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.53 111.233 -179.08 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 94.4 mt -66.27 -33.69 76.3 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.295 -0.412 . . . . 0.69 111.709 -173.782 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -68.21 -44.47 75.72 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.702 -0.399 . . . . 0.82 110.754 -177.63 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.447 ' O ' ' HG2' ' A' ' 99' ' ' GLN . 35.1 ttpt -60.7 -44.32 96.72 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.627 0.251 . . . . 2.25 110.615 177.048 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.449 ' HG ' ' O ' ' A' ' 92' ' ' LEU . 90.4 mt -58.81 -43.36 90.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.097 -0.501 . . . . 0.4 110.502 178.035 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 39.3 m -58.76 -43.36 90.32 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.851 0.357 . . . . 0.44 110.874 175.232 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 23.6 tt0 -66.54 -40.98 89.38 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.017 -0.538 . . . . 2.53 111.213 -177.735 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.447 ' HG2' ' O ' ' A' ' 95' ' ' LYS . 85.6 mm-40 -63.99 -45.19 90.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 2.3 110.764 -179.685 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 67.6 mt -66.94 -39.55 87.35 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.125 -0.489 . . . . 0.38 110.306 179.663 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 23.3 tm0? -61.8 -42.76 99.42 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.646 -0.706 . . . . 2.34 109.73 178.128 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -65.74 -45.8 86.86 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 121.015 -0.612 . . . . 0.46 112.282 179.041 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 63.2 tp -63.82 -45.19 90.7 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.852 0.358 . . . . 0.66 110.421 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -57.89 -46.68 84.54 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.785 -0.643 . . . . 0.45 111.186 -178.74 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 77.6 t -69.15 -37.91 77.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.37 -0.377 . . . . 0.68 111.105 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 97.1 m -61.48 -37.91 85.36 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.824 0.345 . . . . 0.68 111.211 179.219 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 77.2 mt -75.68 -32.86 25.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 121.144 0.497 . . . . 0.83 110.702 177.524 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 43.0 t -77.73 -17.16 57.88 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.073 -0.512 . . . . 1.19 110.746 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 40.0 ttp180 -83.95 67.35 9.59 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.279 0.561 . . . . 5.77 110.19 -177.538 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.52 ' CD ' HH12 ' A' ' 46' ' ' ARG . 40.8 mm-40 -124.37 41.64 3.45 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.761 -0.654 . . . . 6.0 111.13 -176.712 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 66.4 t30 -100.02 52.98 0.91 Allowed 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.344 0.592 . . . . 6.62 109.692 178.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 23.5 mt -112.67 82.91 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.848 -0.615 . . . . 8.37 110.221 179.26 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.435 ' O ' ' HB2' ' A' ' 114' ' ' GLU . 23.6 m -103.05 90.37 3.73 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.834 -0.621 . . . . 9.67 109.814 178.684 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.435 ' HB2' ' O ' ' A' ' 113' ' ' THR . 0.7 OUTLIER 70.37 135.25 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.288 0 O-C-N 123.698 0.624 . . . . 11.2 110.932 -178.041 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 32.5 m -90.68 -16.41 8.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 116.189 -0.46 . . . . 12.46 111.369 -176.674 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -81.39 113.08 3.57 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 121.084 -0.579 . . . . 13.58 112.36 -178.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.539 ' HB3' ' HD3' ' A' ' 118' ' ' PRO . . . -70.97 -49.7 12.83 Favored Pre-proline 0 CA--C 1.537 0.446 0 N-CA-C 111.827 0.306 . . . . 16.1 111.827 179.246 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 118' ' ' PRO . . . . . 0.539 ' HD3' ' HB3' ' A' ' 117' ' ' ALA . 7.7 Cg_exo -73.51 -60.97 0.04 OUTLIER 'Trans proline' 0 C--N 1.353 0.793 0 C-N-CA 121.874 1.716 . . . . 18.52 111.387 176.288 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 5.1 t . . . . . 0 C--O 1.25 1.122 0 CA-C-N 115.864 -0.607 . . . . 20.01 109.852 179.354 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.841 0 N-CA-C 111.817 -0.513 . . . . 15.85 111.817 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -72.64 127.66 12.64 Favored 'Trans proline' 0 C--O 1.237 0.461 0 C-N-CA 122.649 2.233 . . . . 16.1 112.633 -179.215 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 88.2 mtp -110.01 123.51 49.8 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.115 -0.493 . . . . 14.03 110.495 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -99.08 -4.35 32.58 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.441 -0.345 . . . . 12.6 111.335 -178.586 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 14.7 tpt -77.67 135.02 38.03 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.557 -0.292 . . . . 12.35 110.504 179.119 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 52.4 tp -146.06 135.51 23.05 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.76 -0.459 . . . . 9.95 109.76 178.061 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -68.33 103.16 1.54 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.39 -0.368 . . . . 8.65 110.227 176.585 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 77.4 mtp180 -120.52 -5.39 9.79 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.678 0.275 . . . . 9.34 111.211 -179.192 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 40.3 ttm180 -78.35 -50.02 12.53 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.869 0.366 . . . . 8.86 110.225 178.555 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 47.5 tp60 -123.92 106.87 10.78 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.993 -0.549 . . . . 6.88 110.202 178.662 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.418 ' O ' ' HD3' ' A' ' 13' ' ' PRO . 38.0 mtp180 -125.9 -49.58 1.6 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.827 -0.624 . . . . 6.91 110.052 177.497 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -74.47 110.42 9.56 Favored Pre-proline 0 C--N 1.324 -0.508 0 CA-C-N 115.522 -0.763 . . . . 2.19 110.276 -178.137 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.418 ' HD3' ' O ' ' A' ' 11' ' ' ARG . 25.7 Cg_exo -62.27 -29.9 80.7 Favored 'Trans proline' 0 C--N 1.343 0.26 0 C-N-CA 122.31 2.007 . . . . 1.45 110.837 177.926 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 67.9 mt -65.86 -32.46 73.99 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.074 -0.967 . . . . 0.85 110.781 177.865 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -65.33 -47.08 77.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.992 0.425 . . . . 2.75 110.343 178.68 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.38 -44.19 88.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.979 -0.555 . . . . 0.71 110.472 178.587 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 56.6 tp -64.09 -43.97 93.76 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.926 -0.579 . . . . 1.09 111.087 179.19 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 35.3 ttm180 -59.41 -37.93 79.31 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.683 0.277 . . . . 3.33 111.123 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.417 HH11 ' HD3' ' A' ' 19' ' ' ARG . 43.9 ttp180 -60.01 -43.81 94.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.208 0.527 . . . . 3.76 109.683 175.713 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 92.3 mtt180 -69.27 -38.03 78.18 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.357 -0.838 . . . . 4.04 111.324 177.84 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 -64.41 -41.07 96.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.48 0.181 . . . . 1.34 110.752 177.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 49.5 tt0 -66.78 -30.13 70.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.903 0.383 . . . . 2.79 110.006 176.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -63.97 -46.38 84.88 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.204 -0.665 . . . . 2.14 109.204 177.509 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.479 ' O ' HG23 ' A' ' 28' ' ' VAL . 88.3 mt -69.65 -38.93 77.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.564 -0.744 . . . . 0.68 110.836 177.531 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 63.7 tttm -60.21 -40.57 90.56 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.459 -0.337 . . . . 1.9 110.794 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 56.0 tt0 -64.88 -35.47 81.23 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.185 0.516 . . . . 2.6 110.022 177.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -70.66 -34.43 72.03 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.673 -0.694 . . . . 1.37 110.704 179.406 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.479 HG23 ' O ' ' A' ' 24' ' ' LEU . 71.9 t -67.33 -48.31 78.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.486 -0.324 . . . . 0.4 110.279 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -62.98 -36.88 84.99 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.429 -0.35 . . . . 1.21 111.05 178.229 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 9.0 t -66.22 -38.03 86.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.99 0.424 . . . . 1.3 110.034 178.497 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -63.61 -45.99 87.8 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.377 -0.601 . . . . 1.14 109.377 177.886 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 97.0 mt -60.34 -33.58 72.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.935 -0.575 . . . . 0.67 110.961 177.032 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 40.7 m -62.67 -40.04 95.83 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.224 -0.444 . . . . 1.29 110.635 179.704 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -75.89 -35.62 59.78 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.086 0.469 . . . . 1.86 110.254 178.511 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 11.5 t -68.09 -10.29 52.78 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.591 -0.731 . . . . 1.33 110.763 -179.35 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -98.14 -8.82 26.84 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-O 121.487 0.661 . . . . 2.91 109.495 -175.547 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 87.0 mt -78.7 135.48 37.18 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.466 -0.788 . . . . 0.95 110.569 -177.134 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 58.4 mtpt -70.74 -29.47 65.73 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.347 -0.842 . . . . 3.61 110.613 -179.532 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -73.15 -18.19 61.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.992 -0.549 . . . . 3.24 110.229 176.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -76.77 -0.45 23.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.296 -0.411 . . . . 1.2 110.766 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 58.8 tp -67.41 -14.62 63.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.76 -0.655 . . . . 2.76 109.985 173.836 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.454 ' HG3' ' H ' ' A' ' 45' ' ' LYS . 11.8 tp10 -52.14 115.86 7.47 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-N 115.496 -0.775 . . . . 3.43 110.062 174.047 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.423 ' HD2' ' OE1' ' A' ' 42' ' ' GLU . 69.9 Cg_exo -51.28 -31.01 35.5 Favored 'Trans proline' 0 C--N 1.354 0.842 0 C-N-CA 122.907 2.405 . . . . 1.63 112.732 179.798 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 88.8 m-20 -69.57 -47.82 62.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.507 -0.315 . . . . 1.75 110.249 178.482 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.454 ' H ' ' HG3' ' A' ' 42' ' ' GLU . 23.4 tptm -66.88 -34.47 77.86 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.574 -0.285 . . . . 1.99 110.956 178.7 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 60.6 mtp180 -58.0 -41.13 82.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.666 0.269 . . . . 3.72 110.81 177.887 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 85.8 mm-40 -67.89 -33.32 74.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.924 0.392 . . . . 2.64 110.505 177.481 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 28.0 t60 -68.07 -41.59 81.72 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.109 -0.496 . . . . 1.02 109.944 177.596 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.402 HG13 ' O ' ' A' ' 45' ' ' LYS . 74.2 mt -66.12 -45.16 91.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.61 109.931 178.461 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 51.2 t80 -54.17 -41.19 68.25 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.92 -0.582 . . . . 0.46 111.519 176.567 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 48.3 tp60 -65.67 -45.97 80.89 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.78 0.324 . . . . 1.48 110.999 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.556 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 36.3 mmt180 -67.95 -32.11 72.31 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.758 0.313 . . . . 3.69 111.047 -179.758 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 36.6 t -67.12 -44.02 80.96 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.112 -0.495 . . . . 0.54 110.006 179.373 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 65.1 mt -58.78 -44.56 90.52 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 115.977 -0.556 . . . . 0.44 111.033 175.43 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 40.4 tt0 -61.17 -48.96 79.14 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.81 -0.632 . . . . 2.54 110.814 -176.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.556 ' HG ' ' O ' ' A' ' 52' ' ' ARG . 71.5 mt -61.37 -39.43 90.61 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.368 -0.378 . . . . 0.4 111.287 178.543 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 41.7 tttp -59.18 -45.07 92.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.98 0.419 . . . . 1.78 110.563 179.198 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 81.3 mt-30 -65.9 -34.39 78.02 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.897 -0.592 . . . . 2.41 111.242 177.266 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -68.62 -38.66 80.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.882 0.373 . . . . 0.26 110.881 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.485 HG13 ' O ' ' A' ' 56' ' ' LEU . 75.3 mt -69.19 -39.64 79.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 121.024 0.44 . . . . 0.36 110.041 178.062 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -60.07 -36.73 78.01 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 115.71 -0.677 . . . . 0.64 109.966 176.835 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -62.15 -47.0 86.49 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.34 -0.845 . . . . 2.28 110.691 176.055 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -64.18 -38.96 92.94 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.453 -0.339 . . . . 1.07 110.676 177.499 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -58.12 -45.0 88.05 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.041 -0.527 . . . . 1.48 110.639 176.78 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 65.8 m-20 -67.93 -37.65 81.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.298 -0.41 . . . . 1.35 111.082 178.594 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -63.01 -46.96 85.18 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.012 0.434 . . . . 0.46 110.434 177.09 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 41.5 tp -65.21 -36.87 85.51 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.944 -0.571 . . . . 0.57 110.669 178.416 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -59.3 -31.67 69.35 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.424 -0.353 . . . . 1.8 111.189 175.828 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 51.7 tptt -77.6 -28.44 51.58 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.595 0.712 . . . . 2.67 109.66 176.711 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 74.9 mt -92.85 39.59 1.04 Allowed 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.488 -0.778 . . . . 2.13 110.768 178.032 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 55.0 m -86.55 24.07 1.5 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.34 0.591 . . . . 3.1 110.349 178.697 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 53.2 mttp -85.45 97.62 10.13 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.745 -0.661 . . . . 6.17 109.322 179.033 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -66.65 -25.79 66.74 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.25 0.547 . . . . 4.6 110.912 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.54 ' HA ' ' HD3' ' A' ' 78' ' ' PRO . 11.8 m-20 -81.28 2.81 26.44 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.562 -0.745 . . . . 6.87 111.908 -176.499 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 22.3 pt-20 -58.5 -27.55 64.56 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 111.769 0.285 . . . . 6.68 111.769 -176.333 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.644 ' HB2' ' CE2' ' A' ' 82' ' ' TYR . 12.6 m -153.19 41.02 0.55 Allowed 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 121.207 -0.197 . . . . 5.08 111.049 176.694 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . 63.61 103.19 0.03 OUTLIER Pre-proline 0 N--CA 1.469 0.48 0 O-C-N 123.593 0.558 . . . . 4.62 111.702 -179.645 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.54 ' HD3' ' HA ' ' A' ' 74' ' ' ASP . 98.8 Cg_endo -82.14 68.4 7.86 Favored 'Trans proline' 0 N--CA 1.46 -0.467 0 C-N-CA 122.648 2.232 . . . . 3.94 112.059 -176.268 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 67.4 t -59.85 -62.73 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.893 -0.594 . . . . 3.47 111.029 -177.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -161.04 -68.65 0.06 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.551 0.215 . . . . 2.32 111.494 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 10.7 t30 -64.7 -27.38 68.87 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.502 -0.317 . . . . 2.86 111.292 -176.508 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.644 ' CE2' ' HB2' ' A' ' 76' ' ' SER . 6.8 t80 -61.35 -38.89 88.57 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.87 0.367 . . . . 1.57 110.017 -179.625 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.406 HD21 ' HB2' ' A' ' 78' ' ' PRO . 87.2 m-20 -70.87 -34.76 71.94 Favored 'General case' 0 CA--C 1.518 -0.254 0 CA-C-N 116.128 -0.487 . . . . 1.92 110.269 178.319 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -65.42 -44.58 86.92 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.913 -0.585 . . . . 3.57 109.785 177.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.41 ' O ' ' HG2' ' A' ' 89' ' ' GLU . 55.5 ttp180 -63.33 -38.17 90.13 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.991 -0.549 . . . . 3.59 110.501 -177.529 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 24.3 ttmm -71.07 -35.61 71.95 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.265 0.555 . . . . 2.26 110.247 177.456 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.432 ' O ' ' HB2' ' A' ' 90' ' ' HIS . 42.3 tt0 -70.1 -45.09 67.66 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.386 -0.824 . . . . 2.94 111.633 -178.488 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -64.46 -30.25 71.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.634 -0.257 . . . . 2.99 111.416 -175.698 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.41 ' HG2' ' O ' ' A' ' 85' ' ' ARG . 22.4 mm-40 -62.43 -37.74 87.0 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.983 -0.377 . . . . 1.83 109.983 175.033 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' HIS . . . . . 0.432 ' HB2' ' O ' ' A' ' 87' ' ' GLU . 15.4 m-70 -61.38 -44.69 96.72 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.194 -0.457 . . . . 0.58 110.13 175.483 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 8.7 m -62.05 -38.84 90.28 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.779 -0.646 . . . . 0.79 111.015 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 66.8 tp -69.9 -49.46 51.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.53 110.65 -177.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 96.3 mt -63.87 -33.81 76.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.69 111.208 -176.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -69.02 -45.69 69.87 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.781 -0.368 . . . . 0.82 110.642 -179.562 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 76.3 tttt -59.52 -49.62 77.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.469 -0.332 . . . . 2.25 111.838 177.348 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 87.4 mt -59.36 -44.27 92.71 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.512 -0.313 . . . . 0.4 110.723 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 58.4 m -59.47 -45.56 91.3 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.693 0.282 . . . . 0.44 111.004 175.409 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -63.35 -47.22 83.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.15 -0.477 . . . . 2.53 111.166 -178.105 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -62.18 -41.61 98.48 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.749 -0.659 . . . . 2.3 111.176 -176.801 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 72.2 mt -71.84 -41.77 67.73 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.39 -0.368 . . . . 0.38 110.961 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 24.1 tm0? -61.58 -44.4 97.08 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.461 -0.336 . . . . 2.34 110.2 -179.33 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -65.89 -42.16 95.08 Favored Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.572 -0.823 . . . . 0.46 111.997 177.426 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.454 ' O ' HG13 ' A' ' 107' ' ' ILE . 65.8 tp -65.73 -45.6 82.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.542 0.211 . . . . 0.66 111.214 -179.429 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -55.91 -47.37 77.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.243 -0.435 . . . . 0.45 111.258 -177.343 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 84.6 t -65.18 -35.52 75.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.989 0.423 . . . . 0.68 110.587 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 84.7 m -64.22 -42.11 96.73 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.718 -0.673 . . . . 0.68 111.091 178.382 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.454 HG13 ' O ' ' A' ' 103' ' ' LEU . 71.3 mt -70.81 -40.92 77.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.83 111.263 -177.62 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 35.2 p -83.17 -10.62 58.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.157 0.503 . . . . 1.19 110.822 -176.601 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 25.6 mmm180 61.22 38.29 16.76 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-N 115.085 -0.962 . . . . 5.77 111.307 178.513 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -86.39 41.09 0.92 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.278 0.561 . . . . 6.0 110.731 -179.596 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -101.4 19.01 18.62 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.787 -0.642 . . . . 6.62 110.122 178.882 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 75.0 mt -73.81 -54.21 15.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.157 -0.474 . . . . 8.37 110.859 -175.555 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 12.6 p -80.92 -4.6 55.49 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.205 0.526 . . . . 9.67 111.057 -178.68 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -73.15 99.29 2.78 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 115.575 -0.739 . . . . 11.2 110.107 179.08 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 12.2 m -124.74 48.4 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.679 -0.691 . . . . 12.46 110.888 -177.462 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -80.67 70.38 3.03 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.922 -0.656 . . . . 13.58 112.174 -179.317 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -138.58 63.83 34.94 Favored Pre-proline 0 C--N 1.323 -0.546 0 O-C-N 122.883 -0.186 . . . . 16.1 111.351 -178.76 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 93.0 Cg_endo -93.54 16.89 1.15 Allowed 'Trans proline' 0 N--CA 1.455 -0.742 0 C-N-CA 122.554 2.169 . . . . 18.52 112.415 -179.194 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 26.4 m . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.542 -0.742 . . . . 20.01 110.199 -177.893 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.896 0 N-CA-C 111.776 -0.53 . . . . 15.85 111.776 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.9 Cg_exo -77.62 57.59 6.05 Favored 'Trans proline' 0 CA--C 1.53 0.319 0 C-N-CA 123.269 2.646 . . . . 16.1 112.603 179.713 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 25.9 ttt -95.75 -56.86 2.54 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.853 -0.425 . . . . 14.03 109.853 176.805 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 55.97 78.7 0.19 Allowed 'General case' 0 C--O 1.234 0.273 0 O-C-N 124.04 0.837 . . . . 12.6 111.522 178.324 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 23.9 ptp -81.21 123.47 28.49 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.897 -0.592 . . . . 12.35 110.409 178.553 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -114.75 130.41 56.84 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.75 -0.463 . . . . 9.95 109.75 177.592 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -71.75 90.99 1.1 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.244 0.545 . . . . 8.65 110.685 178.594 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 61.7 mtp180 -85.49 48.85 1.65 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.966 -0.561 . . . . 9.34 110.436 -178.6 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 83.5 mtt180 -91.59 -57.3 2.81 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.807 -0.633 . . . . 8.86 110.826 -178.538 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.48 ' OE1' ' HB3' ' A' ' 76' ' ' SER . 10.5 mm100 -79.53 55.83 2.05 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.851 -0.613 . . . . 6.88 110.649 -175.851 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.637 ' O ' ' HD3' ' A' ' 13' ' ' PRO . 94.1 mtt180 -62.92 134.88 56.9 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.624 -0.717 . . . . 6.91 109.672 178.921 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -90.48 103.23 6.33 Favored Pre-proline 0 C--N 1.323 -0.546 0 O-C-N 123.52 0.513 . . . . 2.19 111.628 -174.559 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.637 ' HD3' ' O ' ' A' ' 11' ' ' ARG . 16.8 Cg_exo -64.86 -39.67 24.56 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.791 2.327 . . . . 1.45 111.249 177.343 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.403 HD23 HD23 ' A' ' 70' ' ' LEU . 57.4 mt -60.75 -35.7 77.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.081 -0.963 . . . . 0.85 110.939 -178.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -65.87 -39.31 90.57 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 116.627 -0.26 . . . . 2.75 110.992 179.689 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.89 -46.22 75.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.821 0.343 . . . . 0.71 110.778 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 57.0 tp -61.42 -37.21 82.69 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.887 -0.597 . . . . 1.09 111.065 174.744 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 30.3 ttm180 -59.53 -32.91 70.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.376 -0.375 . . . . 3.33 111.054 -179.562 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 20.1 mmm180 -59.16 -42.26 90.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.133 0.492 . . . . 3.76 110.039 174.305 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.659 ' HG3' HD21 ' A' ' 63' ' ' ASN . 32.0 tpt180 -70.92 -36.82 72.82 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.689 -0.687 . . . . 4.04 110.743 176.835 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 -64.13 -39.07 93.24 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-O 120.979 0.419 . . . . 1.34 110.58 175.447 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.531 ' O ' ' HG3' ' A' ' 26' ' ' GLN . 65.2 tt0 -62.1 -31.57 72.04 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.885 -0.598 . . . . 2.79 110.221 176.455 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -69.96 -38.22 76.04 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.585 -0.734 . . . . 2.14 109.154 179.422 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.449 ' O ' HG23 ' A' ' 28' ' ' VAL . 81.8 mt -68.99 -39.64 79.26 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.822 -0.626 . . . . 0.68 110.248 176.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.6 mmmp? -57.19 -46.77 82.55 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-N 116.528 -0.306 . . . . 1.9 110.803 178.456 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.531 ' HG3' ' O ' ' A' ' 22' ' ' GLN . 26.1 mt-30 -59.53 -38.84 82.06 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.081 -0.508 . . . . 2.6 110.647 -179.606 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 -73.28 -35.62 66.2 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.058 -0.519 . . . . 1.37 111.412 -177.802 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.449 HG23 ' O ' ' A' ' 24' ' ' LEU . 70.2 t -68.92 -46.69 78.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-O 120.935 0.397 . . . . 0.4 110.132 -179.68 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -61.06 -36.05 78.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.961 -0.563 . . . . 1.21 110.359 177.018 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 66.6 m -64.82 -37.72 88.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.36 -0.382 . . . . 1.3 110.614 176.237 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.482 HD11 HG23 ' A' ' 49' ' ' ILE . 36.1 tp -64.22 -44.38 92.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 1.14 110.278 -179.749 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 96.0 mt -61.69 -38.39 87.66 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.038 -0.528 . . . . 0.67 110.472 177.398 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.589 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 50.9 m -65.14 -35.2 80.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.917 -0.583 . . . . 1.29 110.973 179.592 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -74.93 -39.92 61.11 Favored 'General case' 0 CA--C 1.52 -0.182 0 CA-C-O 121.037 0.446 . . . . 1.86 109.966 179.542 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 26.7 t -65.32 -11.14 38.82 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.749 -0.66 . . . . 1.33 110.962 179.341 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 25.7 tp60 -104.0 -11.13 17.58 Favored 'General case' 0 N--CA 1.449 -0.513 0 N-CA-C 109.595 -0.52 . . . . 2.91 109.595 -175.21 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.589 ' HG ' ' O ' ' A' ' 33' ' ' SER . 94.9 mt -76.32 135.77 39.57 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.669 -0.696 . . . . 0.95 110.629 -177.608 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 58.0 mttp -72.26 -29.86 64.31 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.408 -0.815 . . . . 3.61 110.444 179.618 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -70.36 -27.67 64.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.831 -0.622 . . . . 3.24 110.188 175.858 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -90.71 0.7 57.33 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.714 -0.676 . . . . 1.2 111.025 -177.755 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 29.4 tp -86.53 25.1 1.28 Allowed 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.801 0.81 . . . . 2.76 109.969 179.249 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -87.12 153.41 54.18 Favored Pre-proline 0 C--N 1.324 -0.522 0 CA-C-N 115.227 -0.897 . . . . 3.43 109.812 177.411 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_endo -54.48 -50.37 13.67 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.313 2.009 . . . . 1.63 113.913 -171.826 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 17.2 m120 -73.79 -30.94 63.03 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-O 120.59 0.233 . . . . 1.75 111.52 -171.62 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.453 ' O ' HG13 ' A' ' 49' ' ' ILE . 58.3 tptt -61.82 -32.24 72.54 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.669 -0.241 . . . . 1.99 110.561 178.683 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 83.5 mtm180 -59.47 -40.09 85.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.447 -0.342 . . . . 3.72 110.515 177.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -66.36 -38.38 87.46 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-O 121.036 0.446 . . . . 2.64 110.282 178.018 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 4.7 t60 -69.6 -38.26 77.21 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.737 -0.665 . . . . 1.02 110.228 -178.473 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.482 HG23 HD11 ' A' ' 31' ' ' LEU . 74.4 mt -66.35 -46.04 87.99 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.445 -0.343 . . . . 0.61 110.4 178.712 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 81.2 t80 -54.57 -41.47 69.89 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.4 -0.364 . . . . 0.46 110.927 176.001 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 55.7 tp60 -69.64 -40.33 76.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.869 0.366 . . . . 1.48 110.457 178.568 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.47 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 27.2 tpt180 -63.48 -31.79 73.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.228 -0.442 . . . . 3.69 110.09 178.461 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.448 ' SG ' ' HB2' ' A' ' 104' ' ' ALA . 42.8 t -66.59 -45.54 78.9 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.629 -0.714 . . . . 0.54 109.919 178.109 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 57.9 mt -59.85 -41.33 85.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.971 -0.559 . . . . 0.44 111.06 178.854 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -61.81 -51.03 69.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.465 -0.334 . . . . 2.54 111.222 -179.668 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.47 ' HG ' ' O ' ' A' ' 52' ' ' ARG . 68.2 mt -60.6 -37.89 82.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 0.4 111.558 177.424 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 39.7 ttpt -64.25 -38.6 91.62 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.015 0.436 . . . . 1.78 110.097 179.295 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 24.6 tp60 -63.94 -39.49 94.28 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.728 -0.669 . . . . 2.41 110.297 176.029 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.78 -39.67 93.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.289 -0.414 . . . . 0.26 111.213 178.538 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.451 HG13 ' O ' ' A' ' 56' ' ' LEU . 75.9 mt -64.25 -43.6 97.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.997 0.427 . . . . 0.36 110.348 177.88 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -64.51 -36.09 83.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.784 -0.644 . . . . 0.64 110.132 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -62.39 -45.9 91.05 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.843 -0.617 . . . . 2.28 110.292 176.461 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ASN . . . . . 0.659 HD21 ' HG3' ' A' ' 20' ' ' ARG . 6.6 m-20 -63.74 -39.22 93.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.915 -0.584 . . . . 1.07 110.376 176.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 83.4 tttt -59.57 -41.24 89.72 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.93 -0.577 . . . . 1.48 110.3 178.138 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 31.3 m-80 -66.89 -46.23 75.54 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.324 -0.398 . . . . 1.35 110.879 176.035 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -61.17 -39.11 88.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.107 -0.497 . . . . 0.46 110.842 179.663 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 50.6 tp -69.12 -40.77 78.1 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.894 -0.594 . . . . 0.57 111.069 179.18 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 64.3 tt0 -60.2 -33.26 71.99 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.089 0.471 . . . . 1.8 110.827 176.541 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 25.8 tptp -91.84 -0.11 57.5 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.356 0.598 . . . . 2.67 110.414 179.405 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.403 HD23 HD23 ' A' ' 14' ' ' LEU . 21.6 tp -85.09 64.52 8.73 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.705 0.764 . . . . 2.13 110.966 -175.339 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 50.2 m -141.41 109.85 5.97 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.301 -0.863 . . . . 3.1 109.099 174.624 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 49.0 pttt -100.5 112.04 24.36 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.076 0.465 . . . . 6.17 111.248 -174.215 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -79.77 -21.7 44.08 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.078 -0.51 . . . . 4.6 111.812 -179.006 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -79.37 -4.78 52.61 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.782 0.325 . . . . 6.87 111.102 -176.589 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -128.42 161.37 29.65 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.052 -0.522 . . . . 6.68 110.148 179.044 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.48 ' HB3' ' OE1' ' A' ' 10' ' ' GLN . 40.1 t -81.05 135.55 35.84 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.258 -0.428 . . . . 5.08 110.198 -179.733 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -126.01 118.79 23.83 Favored Pre-proline 0 C--N 1.325 -0.491 0 CA-C-N 116.014 -0.539 . . . . 4.62 110.135 -179.128 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 26.3 Cg_exo -63.6 93.18 0.17 Allowed 'Trans proline' 0 C--N 1.343 0.263 0 C-N-CA 122.686 2.257 . . . . 3.94 111.802 178.414 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 33.9 m -61.05 167.68 0.65 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.396 0 CA-C-N 116.382 -0.372 . . . . 3.47 111.837 -176.145 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . 71.99 -61.32 0.5 Allowed 'General case' 0 N--CA 1.464 0.261 0 C-N-CA 123.721 0.808 . . . . 2.32 110.676 -173.508 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 18.1 m120 -66.53 -50.48 63.05 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.961 -0.385 . . . . 2.86 109.961 176.464 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 31.9 t80 -60.22 -37.84 81.55 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 115.909 -0.587 . . . . 1.57 109.948 177.212 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -67.34 -46.37 73.61 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.919 -0.582 . . . . 1.92 110.799 -176.214 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 26.9 mm-40 -70.72 -40.73 72.63 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.251 -0.431 . . . . 3.57 111.107 -179.74 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 24.3 tpp180 -63.1 -36.52 83.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.185 -0.462 . . . . 3.59 110.178 -179.445 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 36.0 ttmt -63.98 -38.69 92.0 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.797 -0.638 . . . . 2.26 110.747 177.87 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 44.4 mm-40 -71.89 -38.54 69.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 2.94 110.801 -179.707 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -59.61 -38.56 81.6 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.042 0.449 . . . . 2.99 110.286 176.712 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -65.86 -37.19 85.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.668 -0.696 . . . . 1.83 109.458 178.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 9.0 m-70 -63.83 -42.74 97.56 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 115.886 -0.597 . . . . 0.58 110.337 175.105 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 22.5 m -63.12 -34.95 78.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.79 111.558 -177.507 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.472 ' O ' ' HG ' ' A' ' 96' ' ' LEU . 65.2 tp -69.25 -51.42 37.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.824 0.345 . . . . 0.53 110.354 -179.178 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 95.3 mt -66.52 -32.88 74.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.109 -0.496 . . . . 0.69 110.787 -179.086 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -64.95 -44.98 87.65 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.972 -0.558 . . . . 0.82 111.113 -178.449 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 61.4 tttp -66.98 -39.9 87.3 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.644 0.259 . . . . 2.25 110.797 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.472 ' HG ' ' O ' ' A' ' 92' ' ' LEU . 86.5 mt -58.49 -40.95 84.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.403 -0.362 . . . . 0.4 110.288 176.003 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 31.1 m -58.98 -46.22 88.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.379 -0.373 . . . . 0.44 110.813 175.266 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -61.41 -47.09 87.37 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 116.167 -0.47 . . . . 2.53 111.255 -177.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -65.43 -46.02 81.57 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.797 -0.638 . . . . 2.3 111.443 -176.176 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 59.6 mt -64.71 -45.88 84.71 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.739 0.304 . . . . 0.38 110.655 -179.331 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 21.6 tm0? -62.63 -38.64 91.03 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.84 -0.618 . . . . 2.34 110.356 179.558 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -68.01 -45.61 71.63 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.925 -0.655 . . . . 0.46 111.936 178.154 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.44 ' O ' HG13 ' A' ' 107' ' ' ILE . 61.3 tp -65.27 -40.55 94.07 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.681 0.277 . . . . 0.66 110.73 -179.367 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.448 ' HB2' ' SG ' ' A' ' 53' ' ' CYS . . . -55.26 -43.26 74.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.071 -0.513 . . . . 0.45 110.94 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 84.7 t -67.35 -36.15 75.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 115.805 -0.634 . . . . 0.68 110.926 179.482 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 26.3 m -64.95 -39.34 93.35 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.004 0.43 . . . . 0.68 110.963 178.58 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.44 HG13 ' O ' ' A' ' 103' ' ' LEU . 67.5 mt -70.28 -40.3 77.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 0.83 111.198 -178.351 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 8.3 p -83.86 -17.52 40.6 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.174 -0.466 . . . . 1.19 110.669 -177.494 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 43.8 mtp180 65.69 101.67 0.04 OUTLIER 'General case' 0 C--O 1.237 0.419 0 CA-C-N 115.304 -0.862 . . . . 5.77 112.368 176.33 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 17.1 tp10 -80.72 69.38 7.23 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.664 0.745 . . . . 6.0 109.628 176.834 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 17.4 m120 -121.26 44.36 2.55 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.34 -0.845 . . . . 6.62 110.265 -177.809 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 72.1 mt -75.4 -61.21 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 121.203 0.525 . . . . 8.37 109.917 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.401 ' HB ' ' O ' ' A' ' 116' ' ' GLY . 2.3 p -122.81 -35.19 3.08 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.641 -0.709 . . . . 9.67 110.482 177.705 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 69.53 -60.6 0.46 Allowed 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 115.303 -0.862 . . . . 11.2 112.574 174.84 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 17.4 m -108.75 30.85 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-O 121.071 0.462 . . . . 12.46 111.124 -177.098 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' GLY . . . . . 0.401 ' O ' ' HB ' ' A' ' 113' ' ' THR . . . 71.32 -128.62 16.21 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.833 -0.698 . . . . 13.58 111.892 -177.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -134.92 69.83 70.87 Favored Pre-proline 0 C--N 1.325 -0.493 0 CA-C-O 120.784 0.326 . . . . 16.1 111.397 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 92.0 Cg_endo -84.42 -14.42 6.84 Favored 'Trans proline' 0 N--CA 1.459 -0.549 0 C-N-CA 122.252 1.968 . . . . 18.52 111.644 176.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 17.8 p . . . . . 0 C--O 1.246 0.92 0 CA-C-N 115.781 -0.645 . . . . 20.01 110.598 -179.462 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.446 ' HA ' ' HD3' ' A' ' 13' ' ' PRO . 68.3 m-20 . . . . . 0 C--O 1.235 0.314 0 CA-C-O 121.081 0.467 . . . . 2.19 111.361 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.446 ' HD3' ' HA ' ' A' ' 12' ' ' ASP . 38.2 Cg_exo -56.53 -28.69 75.25 Favored 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 123.314 2.676 . . . . 1.45 111.81 177.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 73.2 mt -57.55 -41.7 81.51 Favored 'General case' 0 C--O 1.225 -0.204 0 CA-C-N 115.929 -0.578 . . . . 0.85 110.853 178.022 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 7.7 tp-100 -68.46 -44.96 73.7 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.638 0.256 . . . . 2.75 110.814 -178.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.13 -45.18 94.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.194 0.521 . . . . 0.71 110.683 177.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 42.7 tp -65.99 -42.27 90.02 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.514 -0.766 . . . . 1.09 110.998 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 67.2 mtt180 -59.3 -37.47 77.8 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 120.497 0.189 . . . . 3.33 111.109 179.124 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 57.6 ttp180 -59.26 -46.0 89.69 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.224 0.535 . . . . 3.76 109.86 176.245 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 67.1 ttt180 -68.67 -38.97 80.8 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.606 -0.725 . . . . 4.04 111.156 177.691 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 90.0 m-20 -62.71 -39.44 94.04 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 120.643 0.258 . . . . 1.34 110.911 178.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.436 ' O ' ' HG3' ' A' ' 26' ' ' GLN . 47.6 tp60 -64.01 -32.88 74.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.163 0.506 . . . . 2.79 109.865 177.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -71.96 -38.46 69.75 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.553 -0.749 . . . . 2.14 109.787 179.534 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.402 ' O ' HG23 ' A' ' 28' ' ' VAL . 82.7 mt -62.3 -43.5 98.69 Favored 'General case' 0 CA--C 1.518 -0.285 0 CA-C-N 116.102 -0.499 . . . . 0.68 110.075 175.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 55.7 tttm -59.02 -42.74 90.87 Favored 'General case' 0 N--CA 1.455 -0.181 0 CA-C-N 116.381 -0.372 . . . . 1.9 110.697 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.436 ' HG3' ' O ' ' A' ' 22' ' ' GLN . 79.6 mt-30 -61.37 -35.35 77.23 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.936 0.398 . . . . 2.6 110.682 179.513 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 -72.17 -34.66 68.62 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.055 -0.52 . . . . 1.37 110.566 178.101 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.402 HG23 ' O ' ' A' ' 24' ' ' LEU . 69.4 t -68.05 -46.1 82.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-O 120.884 0.373 . . . . 0.4 110.051 178.232 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 41.7 m-20 -58.68 -35.77 73.12 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.034 -0.53 . . . . 1.21 110.331 176.261 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 13.5 t -69.62 -37.53 76.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.721 -0.672 . . . . 1.3 110.439 178.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.41 HD11 HG23 ' A' ' 49' ' ' ILE . 62.3 tp -65.87 -44.94 83.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.013 0.435 . . . . 1.14 109.924 178.2 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.499 ' HA ' ' OG ' ' A' ' 35' ' ' SER . 95.5 mt -60.39 -32.71 71.58 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.602 -0.726 . . . . 0.67 110.626 175.822 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.592 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 32.5 t -61.89 -32.66 73.05 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.309 -0.405 . . . . 1.29 110.461 176.601 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 36.9 mm-40 -73.24 -46.71 48.56 Favored 'General case' 0 C--O 1.227 -0.126 0 N-CA-C 109.886 -0.412 . . . . 1.86 109.886 176.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.499 ' OG ' ' HA ' ' A' ' 32' ' ' LEU . 26.7 p -65.35 -8.72 19.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.07 -0.514 . . . . 1.33 111.605 179.764 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 22.0 tp60 -100.26 -8.79 23.08 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.225 0.536 . . . . 2.91 109.674 -175.755 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.592 ' HG ' ' O ' ' A' ' 33' ' ' SER . 84.3 mt -83.44 143.28 30.37 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.708 -0.678 . . . . 0.95 110.445 -177.372 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 37.5 mtmm -71.89 -28.88 63.8 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.985 -0.552 . . . . 3.61 110.607 176.613 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -68.28 -18.52 64.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.338 0.589 . . . . 3.24 110.182 176.55 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.412 ' HA ' ' HG2' ' A' ' 45' ' ' LYS . . . -77.08 0.02 22.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.111 -0.495 . . . . 1.2 111.146 179.508 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 44.9 tp -71.59 -14.26 62.02 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.883 -0.599 . . . . 2.76 110.064 174.582 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -57.13 126.08 72.48 Favored Pre-proline 0 C--O 1.233 0.232 0 CA-C-N 115.776 -0.647 . . . . 3.43 110.004 175.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -51.66 -39.62 65.91 Favored 'Trans proline' 0 C--N 1.352 0.721 0 C-N-CA 123.269 2.646 . . . . 1.63 113.093 -178.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -68.43 -38.56 81.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.564 0.221 . . . . 1.75 111.417 -178.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.412 ' HG2' ' HA ' ' A' ' 40' ' ' ALA . 4.3 tppp? -62.24 -31.12 71.63 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.503 -0.317 . . . . 1.99 110.967 -177.51 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 24.1 mmm180 -57.89 -42.61 84.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.716 0.293 . . . . 3.72 110.533 -179.155 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -70.11 -33.72 72.21 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.098 0.475 . . . . 2.64 110.417 179.408 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 47.3 t60 -69.69 -38.82 77.15 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.725 -0.67 . . . . 1.02 110.358 -179.223 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.41 HG23 HD11 ' A' ' 31' ' ' LEU . 79.8 mt -67.78 -42.66 86.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 N-CA-C 109.593 -0.521 . . . . 0.61 109.593 175.831 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.44 ' CE2' ' HB2' ' A' ' 108' ' ' SER . 38.5 t80 -54.46 -41.15 69.15 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 115.471 -0.786 . . . . 0.46 111.124 176.565 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 51.6 tt0 -67.36 -45.94 74.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.819 0.342 . . . . 1.48 110.742 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.437 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 95.2 mtt180 -61.41 -34.23 75.03 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.221 -0.445 . . . . 3.69 110.911 178.524 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.478 ' SG ' ' HB2' ' A' ' 104' ' ' ALA . 48.6 t -67.78 -45.31 75.18 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.619 -0.719 . . . . 0.54 110.027 -177.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 63.9 mt -61.59 -40.79 87.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.01 -0.541 . . . . 0.44 111.029 178.657 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -61.82 -50.71 71.2 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.294 -0.412 . . . . 2.54 111.274 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.437 ' HG ' ' O ' ' A' ' 52' ' ' ARG . 73.1 mt -62.17 -40.42 95.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.62 -0.264 . . . . 0.4 111.592 177.618 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 65.8 tttp -62.32 -39.68 93.85 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.013 0.435 . . . . 1.78 110.168 179.562 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 55.7 tp60 -64.19 -37.27 86.87 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.821 -0.627 . . . . 2.41 110.55 176.062 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -68.92 -43.5 75.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.26 111.052 -179.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.424 HG13 ' O ' ' A' ' 56' ' ' LEU . 70.8 mt -65.04 -41.72 92.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.866 0.365 . . . . 0.36 110.642 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -63.95 -36.5 84.15 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.226 -0.443 . . . . 0.64 110.039 178.753 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -62.27 -45.29 93.95 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.506 -0.77 . . . . 2.28 110.396 176.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -64.86 -38.44 91.0 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.291 -0.413 . . . . 1.07 110.623 176.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -62.11 -39.22 91.8 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.982 -0.554 . . . . 1.48 110.027 177.342 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 10.8 m120 -67.14 -42.5 84.31 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.21 -0.45 . . . . 1.35 110.553 176.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -62.38 -45.77 91.64 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.969 -0.56 . . . . 0.46 110.462 177.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 49.4 tp -60.81 -40.02 91.15 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.829 -0.623 . . . . 0.57 111.092 179.758 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -68.15 -33.12 73.89 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.462 -0.335 . . . . 1.8 111.098 178.011 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 55.6 tptt . . . . . 0 C--N 1.329 -0.301 0 CA-C-O 120.939 0.4 . . . . 2.67 110.401 -179.897 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 31.3 t80 . . . . . 0 CA--C 1.53 0.188 0 N-CA-C 109.785 -0.45 . . . . 1.57 109.785 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 91.2 m-20 -72.74 -30.06 63.86 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.233 -0.44 . . . . 1.92 110.886 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 60.0 tp60 -65.46 -50.47 65.24 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.848 -0.615 . . . . 3.57 110.485 177.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -63.48 -36.74 84.77 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.3 -0.409 . . . . 3.59 110.472 179.722 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 20.3 ttmm -61.12 -41.96 97.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.791 -0.64 . . . . 2.26 110.909 178.278 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.43 ' O ' ' HB2' ' A' ' 90' ' ' HIS . 5.0 tp10 -72.5 -42.16 65.14 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.437 -0.347 . . . . 2.94 111.045 -179.448 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -63.62 -31.17 72.26 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.464 -0.334 . . . . 2.99 110.888 179.321 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 23.1 tp10 -66.6 -36.24 82.15 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.688 -0.486 . . . . 1.83 109.688 178.243 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . 0.43 ' HB2' ' O ' ' A' ' 87' ' ' GLU . 9.2 m-70 -58.57 -41.04 84.78 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 115.885 -0.598 . . . . 0.58 110.287 174.157 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 20.0 m -62.51 -43.19 99.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.933 -0.576 . . . . 0.79 111.564 -177.203 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 57.7 tp -70.16 -50.92 35.51 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 116.439 -0.346 . . . . 0.53 110.788 -177.477 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 97.5 mt -63.37 -33.59 75.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.052 -0.522 . . . . 0.69 110.928 -177.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -68.03 -45.18 74.68 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.431 -0.349 . . . . 0.82 110.794 -177.56 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 40.4 ttpt -60.67 -43.99 97.0 Favored 'General case' 0 CA--C 1.519 -0.215 0 C-N-CA 121.069 -0.252 . . . . 2.25 110.702 178.02 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 92.8 mt -59.53 -40.63 87.82 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.222 -0.444 . . . . 0.4 110.513 176.424 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 28.2 m -58.17 -48.52 80.04 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.675 0.274 . . . . 0.44 110.945 174.646 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . 0.415 ' HA ' ' OE1' ' A' ' 98' ' ' GLN . 13.0 mm-40 -68.56 -35.41 77.37 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.323 -0.398 . . . . 2.53 111.139 -178.474 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -59.23 -47.28 85.92 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.069 -0.514 . . . . 2.3 110.137 178.048 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.429 ' HB3' ' SG ' ' A' ' 53' ' ' CYS . 87.9 mt -71.11 -45.19 64.13 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.686 -0.688 . . . . 0.38 110.834 179.546 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 22.7 tm0? -60.86 -44.47 96.98 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.135 -0.484 . . . . 2.34 110.717 -176.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -64.8 -43.58 95.97 Favored Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 120.705 -0.76 . . . . 0.46 111.756 178.491 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.41 ' O ' HG13 ' A' ' 107' ' ' ILE . 58.0 tp -65.61 -44.18 87.34 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.596 0.236 . . . . 0.66 110.605 179.594 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.478 ' HB2' ' SG ' ' A' ' 53' ' ' CYS . . . -58.13 -46.93 84.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.474 . . . . 0.45 111.353 -177.701 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 68.9 t -65.18 -40.31 88.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 120.949 0.404 . . . . 0.68 110.539 179.215 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 89.9 m -61.06 -41.61 96.94 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.93 -0.577 . . . . 0.68 110.96 179.069 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.41 HG13 ' O ' ' A' ' 103' ' ' LEU . 72.6 mt -74.09 -37.34 46.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 121.231 0.539 . . . . 0.83 110.668 178.715 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . 0.44 ' HB2' ' CE2' ' A' ' 50' ' ' TYR . 21.7 t -65.84 -23.34 66.65 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.059 -0.519 . . . . 1.19 110.721 -178.079 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . 0.435 ' HA ' ' HD2' ' A' ' 109' ' ' ARG . 26.2 tpt180 . . . . . 0 N--CA 1.452 -0.325 0 CA-C-O 121.445 0.64 . . . . 5.77 110.411 178.711 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 . . . . . 0 N--CA 1.452 -0.361 0 N-CA-C 109.495 -0.557 . . . . 2.19 109.495 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -58.41 -38.49 90.08 Favored 'Trans proline' 0 C--N 1.349 0.581 0 C-N-CA 122.835 2.357 . . . . 1.45 112.402 -178.148 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.481 ' O ' ' HB2' ' A' ' 18' ' ' ARG . 66.0 mt -67.23 -32.8 74.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.43 -0.35 . . . . 0.85 110.074 -179.492 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -74.5 -41.64 60.32 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.245 -0.434 . . . . 2.75 111.129 178.5 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.78 -45.73 88.45 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.845 0.355 . . . . 0.71 110.32 176.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 53.8 tp -65.94 -35.06 79.58 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.94 -0.573 . . . . 1.09 110.756 177.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.481 ' HB2' ' O ' ' A' ' 14' ' ' LEU . 57.4 ttt180 -57.19 -36.24 70.59 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.362 -0.381 . . . . 3.33 110.737 -178.52 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 41.9 ttp180 -64.09 -44.48 92.22 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.071 0.462 . . . . 3.76 110.189 176.658 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 73.0 ttt180 -70.17 -35.32 73.91 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.715 -0.675 . . . . 4.04 110.615 179.391 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 92.7 m-20 -63.71 -41.66 98.07 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 120.848 0.356 . . . . 1.34 110.334 175.779 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -64.27 -32.43 74.02 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.098 -0.501 . . . . 2.79 110.444 178.441 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 17.3 tp10 -62.58 -45.64 92.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.244 0.545 . . . . 2.14 110.044 176.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 84.7 mt -67.27 -41.93 84.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.798 -0.637 . . . . 0.68 110.487 178.028 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 28.3 ttpp -60.45 -38.97 85.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.815 -0.629 . . . . 1.9 111.163 -177.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 56.2 tt0 -61.39 -45.0 96.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.376 0.607 . . . . 2.6 110.341 178.569 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 -61.91 -42.79 99.5 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.141 -0.936 . . . . 1.37 110.815 178.507 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 75.6 t -57.51 -49.11 81.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.099 -0.5 . . . . 0.4 111.438 176.401 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -63.49 -38.95 93.09 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 120.596 0.236 . . . . 1.21 111.238 -179.082 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 29.6 t -63.31 -35.87 81.8 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.099 0.476 . . . . 1.3 110.389 178.653 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.507 HD11 HG23 ' A' ' 49' ' ' ILE . 38.2 tp -70.33 -45.6 65.85 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.031 -0.531 . . . . 1.14 110.133 -179.71 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 94.4 mt -60.6 -34.6 74.45 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.491 -0.777 . . . . 0.67 111.118 178.442 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 32.3 t -67.89 -46.73 70.8 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.354 -0.384 . . . . 1.29 110.432 179.341 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -66.64 -27.79 67.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.907 0.384 . . . . 1.86 111.001 179.063 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 32.4 t -62.14 -23.98 66.89 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.876 -0.602 . . . . 1.33 111.874 179.2 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 58.3 tp60 -89.41 -17.25 29.14 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.022 0.439 . . . . 2.91 110.588 -177.116 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 93.9 mt -66.5 130.0 41.73 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.835 -0.621 . . . . 0.95 110.716 -176.396 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 22.1 pttp -67.94 -28.15 67.23 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.854 -0.612 . . . . 3.61 110.595 179.764 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -67.7 -20.17 65.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 3.24 110.901 175.541 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -86.46 0.8 53.41 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.147 -0.479 . . . . 1.2 111.404 -177.731 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 61.5 tp -68.15 -15.78 63.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.114 -0.494 . . . . 2.76 110.654 178.1 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.465 ' OE1' ' HD2' ' A' ' 43' ' ' PRO . 16.6 tp10 -51.06 121.09 15.1 Favored Pre-proline 0 C--N 1.331 -0.228 0 CA-C-N 115.754 -0.657 . . . . 3.43 110.168 174.551 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.465 ' HD2' ' OE1' ' A' ' 42' ' ' GLU . 76.9 Cg_exo -51.32 -32.95 43.65 Favored 'Trans proline' 0 C--N 1.35 0.627 0 C-N-CA 123.193 2.595 . . . . 1.63 113.45 -178.791 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 -72.68 -33.29 66.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.178 0.513 . . . . 1.75 110.137 178.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 22.5 tptm -76.35 -36.12 58.37 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.87 -0.604 . . . . 1.99 109.804 177.15 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.428 ' HG3' ' O ' ' A' ' 42' ' ' GLU . 19.7 mtm180 -61.77 -42.6 99.19 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.478 -0.328 . . . . 3.72 110.331 177.397 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 -65.69 -35.61 81.25 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.92 0.391 . . . . 2.64 110.629 175.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.432 ' O ' ' HG2' ' A' ' 52' ' ' ARG . 17.5 t60 -66.23 -40.26 90.13 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.891 -0.595 . . . . 1.02 109.716 178.409 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.507 HG23 HD11 ' A' ' 31' ' ' LEU . 79.1 mt -67.02 -44.02 88.62 Favored 'Isoleucine or valine' 0 C--O 1.233 0.224 0 CA-C-N 116.03 -0.532 . . . . 0.61 110.381 176.79 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 59.5 t80 -58.87 -41.1 86.25 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.175 -0.466 . . . . 0.46 110.491 177.696 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 49.5 tp60 -67.76 -38.83 83.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.074 -0.512 . . . . 1.48 110.458 -179.736 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.531 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 28.4 mmt180 -62.99 -40.23 97.12 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.391 -0.368 . . . . 3.69 110.447 177.005 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.668 ' SG ' ' HB3' ' A' ' 100' ' ' LEU . 46.4 t -57.83 -40.42 79.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.483 -0.326 . . . . 0.54 111.054 175.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 64.5 mt -71.04 -40.06 75.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 121.416 0.627 . . . . 0.44 110.039 179.099 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 49.8 tt0 -60.99 -46.87 88.99 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.249 -0.887 . . . . 2.54 111.159 178.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.531 ' HG ' ' O ' ' A' ' 52' ' ' ARG . 77.2 mt -70.4 -34.87 73.05 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.403 -0.362 . . . . 0.4 110.49 -177.839 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 23.1 ttmm -57.3 -38.63 74.28 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.062 0.458 . . . . 1.78 110.248 177.599 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 -72.0 -39.59 69.13 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.702 -0.681 . . . . 2.41 110.344 179.603 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.71 -42.14 91.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.57 -0.741 . . . . 0.26 111.232 179.224 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.419 HG13 ' O ' ' A' ' 56' ' ' LEU . 86.7 mt -65.47 -41.21 90.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 121.067 0.461 . . . . 0.36 110.119 178.129 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -59.72 -36.59 76.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.656 -0.702 . . . . 0.64 110.341 177.075 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -62.25 -45.86 91.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.74 -0.664 . . . . 2.28 110.551 179.611 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -63.61 -43.5 96.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.347 -0.388 . . . . 1.07 110.522 177.524 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -55.85 -41.27 74.08 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.752 -0.658 . . . . 1.48 110.82 176.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -69.77 -41.96 74.47 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.192 -0.458 . . . . 1.35 110.979 178.26 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.13 -45.93 89.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.033 0.444 . . . . 0.46 110.517 177.643 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 46.0 tp -63.1 -29.19 70.61 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.399 -0.819 . . . . 0.57 111.135 178.608 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -76.24 -23.5 54.52 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.049 -0.523 . . . . 1.8 109.905 -177.611 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 62.0 tttm . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.064 -0.516 . . . . 2.67 109.865 176.304 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 26.4 t80 . . . . . 0 C--O 1.231 0.118 0 N-CA-C 109.508 -0.553 . . . . 1.57 109.508 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 92.7 m-20 -70.93 -35.71 72.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.985 -0.552 . . . . 1.92 110.971 -178.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . 0.41 ' HA ' ' OE1' ' A' ' 84' ' ' GLN . 6.9 tp60 -70.65 -50.21 39.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.143 -0.48 . . . . 3.57 110.972 179.812 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.467 ' O ' ' HG2' ' A' ' 89' ' ' GLU . 41.3 ttt180 -64.68 -28.32 69.53 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.877 0.37 . . . . 3.59 110.465 -179.446 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 29.5 ttmt -56.81 -40.68 76.43 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.971 -0.558 . . . . 2.26 110.358 179.621 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.407 ' O ' ' HB2' ' A' ' 90' ' ' HIS . 25.9 mm-40 -72.09 -33.39 67.84 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.599 -0.728 . . . . 2.94 110.676 178.566 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -65.63 -38.09 88.4 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.266 -0.425 . . . . 2.99 110.691 176.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.467 ' HG2' ' O ' ' A' ' 85' ' ' ARG . 5.4 mm-40 -65.54 -36.13 82.89 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.828 -0.434 . . . . 1.83 109.828 176.206 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . 0.407 ' HB2' ' O ' ' A' ' 87' ' ' GLU . 8.0 m-70 -58.29 -45.18 88.42 Favored 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 109.625 -0.509 . . . . 0.58 109.625 171.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 30.1 m -62.31 -42.69 99.58 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 115.244 -0.889 . . . . 0.79 111.104 -177.556 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 66.7 tp -57.15 -50.35 73.1 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 116.671 -0.241 . . . . 0.53 111.636 177.553 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 95.1 mt -64.28 -38.22 90.28 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.397 0.618 . . . . 0.69 110.438 -179.162 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -67.57 -28.16 67.54 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.375 -0.829 . . . . 0.82 110.523 177.391 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 63.1 tttp -75.59 -41.84 53.5 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.08 -0.711 . . . . 2.25 109.08 -175.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 81.8 mt -65.65 -35.26 80.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.284 -0.871 . . . . 0.4 109.993 178.626 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 62.4 m -67.39 -38.94 85.48 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 115.832 -0.622 . . . . 0.44 109.721 179.052 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 61.3 tt0 -62.09 -43.58 98.53 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.698 -0.683 . . . . 2.53 111.052 179.347 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 12.4 mm100 -61.46 -41.04 96.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.387 -0.369 . . . . 2.3 110.906 -179.621 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.668 ' HB3' ' SG ' ' A' ' 53' ' ' CYS . 92.9 mt -71.35 -35.47 71.17 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.049 -0.523 . . . . 0.38 110.674 178.327 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 22.5 tm0? -64.91 -31.89 73.34 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.507 -0.769 . . . . 2.34 110.759 -178.248 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -73.18 -39.86 51.59 Favored Glycine 0 N--CA 1.449 -0.498 0 N-CA-C 110.429 -1.068 . . . . 0.46 110.429 -178.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.418 ' O ' HG13 ' A' ' 107' ' ' ILE . 60.7 tp -70.73 -44.2 67.34 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 114.807 -0.697 . . . . 0.66 110.786 179.154 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.498 ' HB2' ' SG ' ' A' ' 53' ' ' CYS . . . -55.25 -46.1 76.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.017 -0.538 . . . . 0.45 111.705 -176.076 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 88.1 t -65.39 -39.33 84.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-O 121.057 0.456 . . . . 0.68 110.719 179.367 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 91.4 m -65.39 -34.88 79.34 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.04 -0.527 . . . . 0.68 111.275 179.585 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.418 HG13 ' O ' ' A' ' 103' ' ' LEU . 66.3 mt -79.65 -27.86 12.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.786 0.327 . . . . 0.83 111.528 179.698 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 9.4 p -86.5 -20.28 28.28 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.377 0.608 . . . . 1.19 109.83 -174.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 26.3 ttm180 . . . . . 0 N--CA 1.449 -0.51 0 CA-C-N 115.5 -0.773 . . . . 5.77 109.226 173.815 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 . . . . . 0 CA--C 1.519 -0.227 0 CA-C-O 120.74 0.305 . . . . 2.19 110.45 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_exo -60.63 -29.45 88.47 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.526 2.151 . . . . 1.45 111.589 178.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 95.9 mt -63.27 -37.54 87.66 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.885 -0.598 . . . . 0.85 110.539 176.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -67.38 -42.51 83.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 2.75 110.557 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.13 -44.32 80.18 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.093 0.473 . . . . 0.71 110.601 177.269 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.458 HD21 ' HB2' ' A' ' 67' ' ' LEU . 53.8 tp -63.28 -39.53 94.83 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.721 -0.672 . . . . 1.09 111.647 179.807 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 26.6 ttm180 -59.09 -33.14 70.47 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 120.795 0.331 . . . . 3.33 110.797 178.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 71.8 ttt180 -66.91 -44.38 80.89 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.865 -0.42 . . . . 3.76 109.865 174.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.503 ' HG3' HD21 ' A' ' 63' ' ' ASN . 30.2 tpt180 -64.84 -36.98 86.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.951 -0.568 . . . . 4.04 110.221 179.08 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 -65.59 -37.87 87.89 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.34 -0.391 . . . . 1.34 110.674 175.369 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 48.4 tt0 -66.46 -30.16 70.44 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.433 -0.349 . . . . 2.79 110.37 178.454 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.452 ' O ' ' HG3' ' A' ' 27' ' ' GLN . 43.4 mt-10 -65.64 -46.15 80.33 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.243 -0.651 . . . . 2.14 109.243 178.025 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.423 ' O ' HG23 ' A' ' 28' ' ' VAL . 65.0 mt -66.7 -35.42 80.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.559 -0.746 . . . . 0.68 110.318 178.065 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -58.21 -42.9 87.22 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.211 -0.449 . . . . 1.9 110.09 177.662 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -67.86 -34.96 77.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.045 -0.525 . . . . 2.6 110.587 179.364 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.452 ' HG3' ' O ' ' A' ' 23' ' ' GLU . 28.2 mt-30 -68.7 -34.72 76.14 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.885 -0.598 . . . . 1.37 110.17 -179.451 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.423 HG23 ' O ' ' A' ' 24' ' ' LEU . 77.7 t -68.97 -46.11 79.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 115.948 -0.569 . . . . 0.4 110.283 176.733 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -59.91 -38.66 82.92 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 116.324 -0.398 . . . . 1.21 110.522 177.425 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 22.9 t -62.85 -43.55 98.49 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.174 -0.466 . . . . 1.3 109.992 177.757 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.406 HD22 HD12 ' A' ' 56' ' ' LEU . 61.8 tp -58.75 -48.49 81.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.864 0.364 . . . . 1.14 110.26 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 96.7 mt -60.73 -33.56 73.1 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.603 -0.726 . . . . 0.67 111.03 -179.626 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 23.1 m -67.55 -41.59 84.01 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.266 -0.425 . . . . 1.29 110.93 179.111 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -77.16 -26.13 52.69 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.058 0.456 . . . . 1.86 111.254 -178.586 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 53.7 m -71.56 -12.74 61.52 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 112.335 0.494 . . . . 1.33 112.335 -174.008 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.504 ' HA ' ' OE1' ' A' ' 36' ' ' GLN . 11.7 mm-40 -104.63 8.91 35.37 Favored 'General case' 0 C--N 1.327 -0.377 0 O-C-N 122.078 -0.389 . . . . 2.91 110.96 -177.323 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 91.2 mt -76.33 141.31 41.61 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.398 -0.364 . . . . 0.95 110.394 -179.734 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -71.73 -30.69 65.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 3.61 110.239 177.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -70.43 -17.68 63.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.992 -0.549 . . . . 3.24 110.727 177.612 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.555 ' HB1' HD11 ' A' ' 49' ' ' ILE . . . -79.17 -0.17 30.78 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.168 -0.469 . . . . 1.2 110.823 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 43.2 tp -75.0 -15.31 60.66 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.922 -0.581 . . . . 2.76 110.453 177.049 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 30.0 mm-40 -63.33 138.69 97.42 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.205 -0.452 . . . . 3.43 110.674 -179.139 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 10.5 Cg_endo -52.67 -48.75 20.34 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.359 2.039 . . . . 1.63 113.436 -171.767 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 56.3 m-80 -72.75 -44.81 61.16 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.625 0.25 . . . . 1.75 110.848 -176.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 69.9 tttt -64.97 -31.84 73.27 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.786 0.327 . . . . 1.99 110.848 -179.51 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 26.8 ttm180 -61.64 -40.08 93.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.127 0.489 . . . . 3.72 110.023 175.368 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.488 ' HA ' HE21 ' A' ' 47' ' ' GLN . 0.0 OUTLIER -68.78 -31.0 69.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.93 -0.577 . . . . 2.64 110.631 177.098 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 46.7 t60 -61.1 -34.65 75.27 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.312 -0.403 . . . . 1.02 110.418 179.16 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.555 HD11 ' HB1' ' A' ' 40' ' ' ALA . 78.5 mt -64.76 -49.73 78.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.985 0.422 . . . . 0.61 110.116 175.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 44.1 t80 -54.63 -40.27 68.79 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 115.821 -0.627 . . . . 0.46 110.852 174.539 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 40.9 tp60 -64.42 -41.57 96.53 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.277 -0.42 . . . . 1.48 110.447 178.534 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.629 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 75.2 mtt180 -60.75 -40.43 92.46 Favored 'General case' 0 CA--C 1.516 -0.335 0 CA-C-N 116.223 -0.444 . . . . 3.69 110.581 176.849 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.655 ' SG ' ' HB2' ' A' ' 104' ' ' ALA . 45.8 t -64.3 -44.25 92.18 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.513 -0.767 . . . . 0.54 110.512 -175.097 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 69.1 mt -58.37 -43.56 86.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.165 -0.47 . . . . 0.44 111.161 178.245 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -64.01 -49.49 72.21 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.18 -0.464 . . . . 2.54 111.266 -179.317 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.629 ' HG ' ' O ' ' A' ' 52' ' ' ARG . 43.9 mt -61.02 -36.82 80.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.341 -0.39 . . . . 0.4 111.645 179.321 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 60.9 tttp -62.27 -46.61 88.01 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.121 0.486 . . . . 1.78 110.15 179.215 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 8.3 tp-100 -61.3 -37.35 82.91 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.581 -0.736 . . . . 2.41 110.895 177.642 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.16 -40.54 94.48 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.266 -0.425 . . . . 0.26 111.473 179.156 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 74.9 mt -63.45 -40.74 90.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 121.096 0.474 . . . . 0.36 110.11 177.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -62.58 -36.38 82.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.732 -0.667 . . . . 0.64 110.153 178.687 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -61.37 -45.42 94.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.851 -0.613 . . . . 2.28 110.444 178.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . 0.503 HD21 ' HG3' ' A' ' 20' ' ' ARG . 5.9 m-20 -66.58 -42.24 87.29 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.03 -0.532 . . . . 1.07 110.529 178.281 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -58.53 -42.32 87.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 1.48 110.579 177.342 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 95.5 m-20 -66.08 -36.86 84.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.106 -0.497 . . . . 1.35 110.939 179.378 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -64.39 -46.39 83.52 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.115 0.483 . . . . 0.46 110.448 177.58 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.458 ' HB2' HD21 ' A' ' 17' ' ' LEU . 32.7 tp -67.63 -43.44 80.39 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.73 -0.668 . . . . 0.57 111.093 -179.016 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 27.8 tt0 -64.66 -22.05 66.88 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.003 0.43 . . . . 1.8 111.261 178.046 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 64.2 tttp . . . . . 0 C--N 1.327 -0.41 0 CA-C-O 121.329 0.585 . . . . 2.67 109.875 176.269 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 11.8 t80 . . . . . 0 CA--C 1.53 0.178 0 CA-C-O 120.836 0.35 . . . . 1.57 110.129 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 -69.76 -46.43 65.84 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.163 -0.471 . . . . 1.92 110.729 -178.19 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . 0.546 ' O ' ' HG2' ' A' ' 88' ' ' GLU . 57.6 tp60 -71.37 -43.73 66.37 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.994 -0.548 . . . . 3.57 111.106 -175.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 9.8 ttm180 -62.59 -33.98 76.08 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.128 0.489 . . . . 3.59 109.996 -175.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 29.0 ttmt -64.08 -41.5 97.29 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.612 -0.722 . . . . 2.26 110.435 177.689 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -72.35 -34.82 68.29 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.198 -0.456 . . . . 2.94 110.722 178.089 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.546 ' HG2' ' O ' ' A' ' 84' ' ' GLN . 23.0 mm-40 -57.38 -42.26 81.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.088 -0.505 . . . . 2.99 111.017 -178.273 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -65.47 -40.01 92.63 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.349 -0.387 . . . . 1.83 110.339 179.163 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 33.5 m-70 -60.94 -45.59 94.09 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 120.847 0.356 . . . . 0.58 110.285 176.133 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 21.4 m -64.48 -37.85 88.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.997 -0.547 . . . . 0.79 111.192 -178.687 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.415 ' O ' ' HG ' ' A' ' 96' ' ' LEU . 53.0 tp -70.02 -51.67 30.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.344 -0.389 . . . . 0.53 110.828 -178.415 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 99.2 mt -63.76 -33.4 75.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.258 -0.428 . . . . 0.69 111.071 -176.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.467 ' O ' ' HG3' ' A' ' 98' ' ' GLN . 18.5 t70 -68.97 -45.09 71.56 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.473 -0.331 . . . . 0.82 110.806 -178.155 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.419 ' O ' ' HG3' ' A' ' 99' ' ' GLN . 26.7 tptp -63.73 -40.78 97.58 Favored 'General case' 0 C--N 1.334 -0.089 0 CA-C-O 120.771 0.32 . . . . 2.25 110.468 179.66 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.415 ' HG ' ' O ' ' A' ' 92' ' ' LEU . 94.7 mt -59.47 -41.58 90.09 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.134 -0.485 . . . . 0.4 110.472 175.6 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 37.0 m -58.59 -40.57 83.56 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.425 -0.352 . . . . 0.44 110.786 174.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . 0.467 ' HG3' ' O ' ' A' ' 94' ' ' ASP . 74.6 mt-30 -62.25 -43.08 99.65 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.322 -0.399 . . . . 2.53 110.765 178.772 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.419 ' HG3' ' O ' ' A' ' 95' ' ' LYS . 78.1 mt-30 -61.84 -49.15 77.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.914 -0.584 . . . . 2.3 111.093 -178.764 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.452 ' HB3' ' SG ' ' A' ' 53' ' ' CYS . 76.7 mt -69.37 -47.9 62.87 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.897 -0.592 . . . . 0.38 111.06 -174.252 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 56.5 tp60 -62.39 -41.3 98.54 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.187 -0.46 . . . . 2.34 110.229 -178.305 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -63.79 -42.95 98.36 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.937 -0.649 . . . . 0.46 111.962 177.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.4 ' O ' HG13 ' A' ' 107' ' ' ILE . 61.3 tp -69.21 -44.83 71.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.542 0.21 . . . . 0.66 110.942 -179.515 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.655 ' HB2' ' SG ' ' A' ' 53' ' ' CYS . . . -55.66 -46.34 77.52 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.005 0.431 . . . . 0.45 111.323 -177.401 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 83.7 t -66.47 -38.04 80.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.787 -0.642 . . . . 0.68 110.984 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 38.5 m -64.33 -32.8 74.55 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.956 0.407 . . . . 0.68 111.113 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.4 HG13 ' O ' ' A' ' 103' ' ' LEU . 76.0 mt -79.14 -42.71 23.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 116.415 -0.357 . . . . 0.83 111.215 -179.36 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 11.2 p -81.7 -27.54 33.9 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.381 -0.372 . . . . 1.19 111.872 -173.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 95.8 mtt180 . . . . . 0 C--N 1.327 -0.401 0 C-N-CA 120.978 -0.289 . . . . 5.77 110.32 177.257 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.8 t0 . . . . . 0 N--CA 1.466 0.331 0 CA-C-O 120.818 0.342 . . . . 2.19 110.312 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_exo -61.16 -29.37 86.84 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.632 2.221 . . . . 1.45 111.977 -179.471 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 74.7 mt -62.47 -45.35 93.45 Favored 'General case' 0 C--O 1.223 -0.293 0 CA-C-N 116.113 -0.494 . . . . 0.85 110.448 179.561 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.529 ' O ' ' HG2' ' A' ' 19' ' ' ARG . 7.8 tt0 -60.13 -46.44 89.63 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.517 -0.31 . . . . 2.75 110.864 178.394 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.78 -45.97 87.35 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.895 0.379 . . . . 0.71 110.931 -178.776 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 28.2 tp -65.49 -36.37 83.66 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.043 -0.526 . . . . 1.09 110.458 177.403 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 49.0 ttp180 -61.08 -33.78 73.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.163 -0.471 . . . . 3.33 110.43 177.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.529 ' HG2' ' O ' ' A' ' 15' ' ' GLN . 27.8 mmm180 -63.7 -39.97 95.64 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.899 -0.408 . . . . 3.76 109.899 176.22 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.441 ' HG2' HD21 ' A' ' 63' ' ' ASN . 78.4 ttt180 -67.92 -41.12 83.12 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 115.696 -0.684 . . . . 4.04 110.561 177.164 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -65.99 -40.46 91.2 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 116.402 -0.363 . . . . 1.34 111.093 177.231 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 49.2 tt0 -62.18 -31.84 72.4 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 121.086 0.47 . . . . 2.79 110.464 178.693 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -66.44 -47.52 72.92 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.635 -0.711 . . . . 2.14 109.529 -179.555 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.488 ' O ' HG23 ' A' ' 28' ' ' VAL . 78.8 mt -66.67 -38.01 85.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.89 -0.595 . . . . 0.68 110.665 176.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -58.27 -44.85 88.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.416 -0.357 . . . . 1.9 110.406 179.496 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.446 ' HA ' ' OE1' ' A' ' 26' ' ' GLN . 6.8 tp60 -65.12 -34.23 77.91 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-O 121.139 0.495 . . . . 2.6 110.311 179.186 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -69.64 -33.52 72.73 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.935 -0.575 . . . . 1.37 110.406 178.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.488 HG23 ' O ' ' A' ' 24' ' ' LEU . 90.8 t -68.02 -45.52 83.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 N-CA-C 110.004 -0.369 . . . . 0.4 110.004 177.552 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -58.5 -36.64 74.11 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 121.074 0.464 . . . . 1.21 110.481 175.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 41.2 m -69.0 -39.08 79.55 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.837 -0.62 . . . . 1.3 110.855 179.589 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -63.67 -48.58 76.61 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 109.258 -0.645 . . . . 1.14 109.258 178.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 92.2 mt -60.39 -35.57 76.05 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.702 -0.681 . . . . 0.67 111.013 178.692 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 32.1 t -61.72 -41.92 98.26 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.285 -0.416 . . . . 1.29 110.439 179.412 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -76.34 -34.19 58.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.202 0.525 . . . . 1.86 110.226 -179.464 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 33.1 t -71.59 -11.13 60.7 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.556 -0.747 . . . . 1.33 110.877 179.815 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -97.22 -10.01 26.64 Favored 'General case' 0 N--CA 1.45 -0.468 0 N-CA-C 109.1 -0.704 . . . . 2.91 109.1 -175.446 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 85.0 mt -72.69 138.3 46.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.435 -0.802 . . . . 0.95 110.063 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 52.7 mttm -71.9 -29.84 64.75 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.636 -0.711 . . . . 3.61 109.962 179.65 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -69.36 -17.71 63.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.489 -0.778 . . . . 3.24 110.571 176.693 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -81.58 -0.1 40.71 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.15 -0.477 . . . . 1.2 111.636 -176.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 39.9 tp -75.43 -11.25 60.0 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.206 0.527 . . . . 2.76 109.822 174.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.406 ' HG3' ' H ' ' A' ' 45' ' ' LYS . 8.8 tp10 -58.95 116.77 16.83 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 115.424 -0.807 . . . . 3.43 109.751 173.549 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_exo -50.57 -30.67 28.9 Favored 'Trans proline' 0 C--N 1.352 0.718 0 C-N-CA 123.272 2.648 . . . . 1.63 113.597 -177.592 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 80.2 m-20 -69.57 -48.41 60.35 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.911 -0.316 . . . . 1.75 110.425 179.424 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.428 ' NZ ' ' HB2' ' A' ' 45' ' ' LYS . 0.0 OUTLIER -69.67 -39.45 77.02 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.071 0.463 . . . . 1.99 110.468 177.614 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 38.6 ttt180 -56.42 -39.04 72.4 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.289 -0.868 . . . . 3.72 110.658 178.32 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 26.4 tp60 -62.89 -41.12 99.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.791 -0.641 . . . . 2.64 110.391 176.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 10.5 t60 -70.12 -37.31 75.29 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.643 -0.708 . . . . 1.02 110.186 -178.624 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 65.8 mt -65.22 -44.59 95.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.302 -0.408 . . . . 0.61 110.626 178.616 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 44.9 t80 -53.91 -40.39 66.64 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.324 -0.398 . . . . 0.46 110.954 175.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.432 ' O ' ' HG2' ' A' ' 55' ' ' GLN . 59.8 tp60 -65.39 -46.39 80.25 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.821 0.343 . . . . 1.48 110.551 179.741 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.499 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 98.9 mtt180 -62.58 -34.97 78.06 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.223 -0.444 . . . . 3.69 111.063 178.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 42.0 t -63.61 -44.65 93.36 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.634 -0.506 . . . . 0.54 109.634 179.047 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 72.2 mt -60.16 -44.33 95.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 115.856 -0.611 . . . . 0.44 111.077 176.412 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.432 ' HG2' ' O ' ' A' ' 51' ' ' GLN . 15.8 mm100 -61.05 -49.9 75.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.436 -0.347 . . . . 2.54 111.117 -178.112 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.499 ' HG ' ' O ' ' A' ' 52' ' ' ARG . 68.8 mt -62.04 -37.94 86.84 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.28 -0.418 . . . . 0.4 111.373 177.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 27.9 ttpp -64.17 -40.19 95.61 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.033 0.444 . . . . 1.78 109.964 -179.498 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 57.5 mt-30 -66.74 -35.11 79.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.97 -0.559 . . . . 2.41 110.93 174.599 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -68.89 -41.96 77.58 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.387 -0.369 . . . . 0.26 111.34 -179.259 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 73.4 mt -66.98 -40.95 86.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 121.181 0.515 . . . . 0.36 109.98 177.354 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -59.9 -37.65 80.01 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.509 -0.769 . . . . 0.64 110.04 176.292 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -61.13 -47.51 85.9 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.496 -0.774 . . . . 2.28 110.454 177.385 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . 0.441 HD21 ' HG2' ' A' ' 20' ' ' ARG . 5.3 m-20 -63.47 -42.44 98.6 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.426 -0.352 . . . . 1.07 110.532 177.337 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 22.2 ttmm -57.66 -47.01 83.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 1.48 110.91 179.089 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 34.5 m-80 -69.47 -36.32 76.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 1.35 111.302 -178.438 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -67.77 -41.94 82.49 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.003 0.43 . . . . 0.46 110.357 177.276 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 61.1 tp -62.95 -46.38 88.03 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.761 -0.654 . . . . 0.57 111.163 179.277 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -65.93 -28.99 69.34 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.905 0.383 . . . . 1.8 111.123 -178.056 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 47.3 tttp . . . . . 0 C--N 1.326 -0.447 0 CA-C-N 116.216 -0.447 . . . . 2.67 110.663 -178.747 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 41.1 t80 . . . . . 0 C--O 1.232 0.139 0 N-CA-C 109.504 -0.554 . . . . 1.57 109.504 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 78.4 m-20 -69.71 -27.53 65.06 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.832 -0.622 . . . . 1.92 110.997 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 13.9 mm100 -68.84 -40.72 79.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.318 -0.401 . . . . 3.57 111.671 -178.087 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.407 HH11 ' HD2' ' A' ' 85' ' ' ARG . 47.2 mtm180 -74.71 -31.38 61.85 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-O 121.29 0.567 . . . . 3.59 109.682 176.114 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.46 ' HA ' ' OE1' ' A' ' 89' ' ' GLU . 17.4 ttmm -65.08 -33.87 77.07 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.323 -0.853 . . . . 2.26 110.234 175.211 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -60.38 -39.71 88.24 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.602 -0.726 . . . . 2.94 109.91 176.266 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 34.2 mm-40 -61.45 -32.17 72.15 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 115.967 -0.561 . . . . 2.99 111.199 178.36 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.46 ' OE1' ' HA ' ' A' ' 86' ' ' LYS . 31.1 mt-10 -61.62 -46.38 90.08 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 109.525 -0.546 . . . . 1.83 109.525 178.341 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 40.2 m-70 -66.71 -44.26 82.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.597 -0.729 . . . . 0.58 110.656 179.451 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 26.0 m -59.08 -44.64 91.9 Favored 'General case' 0 C--N 1.328 -0.334 0 O-C-N 123.402 0.439 . . . . 0.79 111.203 179.532 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.496 ' O ' ' HG ' ' A' ' 96' ' ' LEU . 56.0 tp -68.34 -50.6 52.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 0.53 110.994 -176.146 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 94.8 mt -67.96 -32.26 72.56 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.197 -0.456 . . . . 0.69 111.32 -176.38 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -64.4 -47.25 79.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.674 -0.239 . . . . 0.82 111.538 -175.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 7.9 ttpm? -71.52 -34.96 70.53 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 121.186 -0.206 . . . . 2.25 110.906 -178.615 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.496 ' HG ' ' O ' ' A' ' 92' ' ' LEU . 98.3 mt -59.14 -45.3 91.31 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 110.185 -0.302 . . . . 0.4 110.185 173.695 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 25.0 m -60.13 -45.66 92.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.312 -0.404 . . . . 0.44 110.992 176.068 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 44.1 tt0 -60.62 -44.89 95.8 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-O 120.929 0.395 . . . . 2.53 111.155 179.511 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.559 HE21 ' HA ' ' A' ' 99' ' ' GLN . 0.0 OUTLIER -59.26 -47.67 84.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.797 -0.638 . . . . 2.3 111.211 -178.268 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 74.2 mt -73.72 -44.39 56.51 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.29 -0.414 . . . . 0.38 111.593 -176.552 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 24.9 tm0? -61.27 -44.35 97.38 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 110.13 -0.322 . . . . 2.34 110.13 -177.563 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -65.71 -42.9 95.06 Favored Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 120.581 -0.818 . . . . 0.46 111.966 178.115 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.455 ' O ' HG13 ' A' ' 107' ' ' ILE . 49.8 tp -65.97 -43.69 87.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.491 0.186 . . . . 0.66 110.923 -178.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -56.22 -44.74 79.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.31 -0.404 . . . . 0.45 111.354 -178.126 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 93.8 t -67.9 -38.68 80.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 121.026 0.441 . . . . 0.68 110.497 178.34 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 86.9 m -64.23 -35.71 81.7 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.937 -0.574 . . . . 0.68 111.042 178.632 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.455 HG13 ' O ' ' A' ' 103' ' ' LEU . 84.0 mt -75.46 -42.33 42.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 0.83 111.22 179.823 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 12.7 p -78.58 -14.19 59.45 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.867 0.365 . . . . 1.19 111.432 -174.61 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 88.5 mtt180 . . . . . 0 C--N 1.325 -0.48 0 CA-C-O 121.099 0.476 . . . . 5.77 110.0 179.645 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 30.3 t70 . . . . . 0 C--O 1.235 0.292 0 N-CA-C 109.474 -0.565 . . . . 2.19 109.474 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -55.02 -27.63 55.8 Favored 'Trans proline' 0 C--N 1.349 0.564 0 C-N-CA 123.234 2.623 . . . . 1.45 112.079 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 79.6 mt -56.52 -42.26 78.11 Favored 'General case' 0 C--O 1.218 -0.582 0 CA-C-N 115.917 -0.583 . . . . 0.85 111.175 -179.733 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 6.6 tp60 -59.74 -48.62 80.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.626 0.251 . . . . 2.75 111.251 -179.65 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.96 -45.61 73.7 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.002 0.429 . . . . 0.71 110.959 -178.454 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 30.5 tp -66.35 -36.94 84.18 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.991 -0.549 . . . . 1.09 110.935 179.515 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.487 ' O ' ' HG3' ' A' ' 22' ' ' GLN . 42.6 ttp180 -59.8 -42.8 94.23 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.545 -0.298 . . . . 3.33 110.526 176.636 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 73.0 ttt180 -58.85 -40.28 83.8 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.155 0.502 . . . . 3.76 109.721 178.005 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -66.21 -42.21 89.06 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.507 -0.77 . . . . 4.04 110.543 176.315 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -61.0 -42.25 98.09 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-O 120.868 0.366 . . . . 1.34 110.679 176.422 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.487 ' HG3' ' O ' ' A' ' 18' ' ' ARG . 97.6 mt-30 -62.29 -31.42 72.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.083 -0.508 . . . . 2.79 110.572 178.506 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -70.21 -43.18 71.2 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.017 -0.538 . . . . 2.14 109.695 178.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 87.3 mt -66.06 -37.28 85.42 Favored 'General case' 0 CA--C 1.52 -0.203 0 CA-C-N 115.921 -0.581 . . . . 0.68 110.444 175.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.429 ' HG2' ' OD2' ' A' ' 29' ' ' ASP . 60.6 tttm -59.36 -40.69 87.25 Favored 'General case' 0 C--O 1.225 -0.215 0 CA-C-N 116.536 -0.302 . . . . 1.9 110.396 177.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.458 ' HG2' ' O ' ' A' ' 22' ' ' GLN . 18.3 mm-40 -60.25 -35.2 74.95 Favored 'General case' 0 C--O 1.231 0.126 0 CA-C-O 121.19 0.519 . . . . 2.6 110.493 177.6 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -71.54 -37.67 71.12 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.857 -0.611 . . . . 1.37 110.044 179.626 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 97.9 t -69.69 -48.74 63.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.85 -0.614 . . . . 0.4 110.382 -179.688 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.429 ' OD2' ' HG2' ' A' ' 25' ' ' LYS . 31.9 m-20 -58.46 -37.13 74.84 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.07 -0.514 . . . . 1.21 110.827 -179.542 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 23.0 t -66.11 -42.21 89.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.395 -0.366 . . . . 1.3 110.275 177.627 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 57.2 tp -66.8 -40.49 88.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.792 0.33 . . . . 1.14 110.509 -176.775 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 89.1 mt -68.27 -44.19 76.11 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.318 -0.401 . . . . 0.67 110.737 -177.272 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 12.5 p -67.21 -31.5 71.93 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.133 -0.485 . . . . 1.29 111.246 -179.24 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -75.44 -29.89 59.82 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 121.326 0.584 . . . . 1.86 109.737 178.434 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 51.8 m -73.66 -10.49 59.75 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.575 -0.739 . . . . 1.33 111.386 178.358 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 99.0 mt-30 -104.04 7.26 36.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.207 0.527 . . . . 2.91 110.07 -175.484 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 78.4 mt -77.85 147.62 35.07 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.456 -0.793 . . . . 0.95 109.831 177.719 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 61.9 tttm -67.71 -30.92 70.54 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.027 0.442 . . . . 3.61 110.149 178.266 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -71.59 -18.59 62.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.212 -0.449 . . . . 3.24 110.56 177.13 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -82.21 -0.42 45.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.056 -0.52 . . . . 1.2 110.955 -178.163 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 56.0 tp -69.39 -15.45 63.31 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.315 0.579 . . . . 2.76 109.659 174.528 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 -66.15 115.65 25.55 Favored Pre-proline 0 C--N 1.327 -0.398 0 CA-C-N 115.074 -0.966 . . . . 3.43 110.18 176.638 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.474 ' O ' ' HG3' ' A' ' 47' ' ' GLN . 11.1 Cg_endo -54.79 -30.93 69.93 Favored 'Trans proline' 0 C--N 1.35 0.656 0 C-N-CA 123.096 2.53 . . . . 1.63 112.853 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -64.14 -43.2 95.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.658 0.266 . . . . 1.75 110.592 179.009 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 4.5 tppp? -72.08 -33.65 68.06 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.952 0.406 . . . . 1.99 110.377 176.69 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.482 ' HG2' HG23 ' A' ' 107' ' ' ILE . 41.9 ttm180 -57.8 -36.22 71.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.795 -0.639 . . . . 3.72 110.898 178.578 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.474 ' HG3' ' O ' ' A' ' 43' ' ' PRO . 69.5 mt-30 -61.56 -40.09 93.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.934 -0.575 . . . . 2.64 110.703 177.097 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 21.0 t60 -64.94 -34.97 79.68 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.632 -0.713 . . . . 1.02 109.851 179.679 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 85.3 mt -67.56 -47.16 81.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.782 -0.645 . . . . 0.61 110.976 -179.588 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.458 ' HB2' HG21 ' A' ' 107' ' ' ILE . 48.3 t80 -54.36 -40.82 68.48 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.417 -0.356 . . . . 0.46 111.431 178.884 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.461 ' O ' ' HG3' ' A' ' 55' ' ' GLN . 54.8 tp60 -62.5 -46.11 89.92 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.392 -0.367 . . . . 1.48 110.67 179.595 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.435 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 23.8 mmt180 -67.46 -31.63 71.92 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.291 -0.413 . . . . 3.69 110.87 -178.619 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 42.5 t -62.69 -44.48 96.13 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.051 -0.522 . . . . 0.54 109.97 178.549 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 66.5 mt -58.53 -45.64 90.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.863 -0.608 . . . . 0.44 111.106 177.26 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.461 ' HG3' ' O ' ' A' ' 51' ' ' GLN . 20.1 mt-30 -61.9 -50.33 72.63 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.109 -0.496 . . . . 2.54 111.045 -177.687 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.435 ' HG ' ' O ' ' A' ' 52' ' ' ARG . 72.9 mt -61.26 -36.94 81.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.4 111.544 178.386 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 21.4 ttmm -57.74 -45.8 85.33 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 109.843 -0.429 . . . . 1.78 109.843 176.315 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 24.0 mt-30 -60.24 -42.39 95.15 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.673 -0.694 . . . . 2.41 110.886 177.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.63 -43.72 88.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.446 . . . . 0.26 111.442 -178.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 81.9 mt -66.7 -43.12 90.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.529 -0.305 . . . . 0.36 110.518 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -59.75 -41.37 90.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.223 0.535 . . . . 0.64 110.198 177.405 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -62.52 -47.37 84.21 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.285 -0.871 . . . . 2.28 110.847 179.612 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -67.02 -39.75 87.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.481 -0.327 . . . . 1.07 110.994 178.465 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 64.5 tttp -57.0 -45.89 82.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.926 0.393 . . . . 1.48 110.489 175.807 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -66.86 -39.35 87.52 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.879 -0.601 . . . . 1.35 110.883 179.154 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -65.46 -39.9 92.57 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.1 -0.5 . . . . 0.46 110.466 178.177 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 60.3 tp -66.86 -44.7 80.29 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.566 -0.743 . . . . 0.57 110.989 179.646 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -59.8 -29.13 68.02 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.123 0.487 . . . . 1.8 111.069 178.017 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 64.1 tttm . . . . . 0 C--N 1.325 -0.493 0 CA-C-N 115.804 -0.634 . . . . 2.67 110.535 -178.737 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 32.7 t80 . . . . . 0 C--O 1.233 0.223 0 CA-C-O 120.671 0.272 . . . . 1.57 110.593 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -71.69 -27.49 63.07 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.833 -0.347 . . . . 1.92 111.182 -178.582 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -65.08 -47.85 75.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.745 0.307 . . . . 3.57 110.694 177.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.417 ' O ' ' HG2' ' A' ' 89' ' ' GLU . 43.6 ttm180 -64.06 -40.36 96.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.171 0.51 . . . . 3.59 109.815 178.46 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 19.8 ttmm -62.52 -42.46 99.53 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.632 -0.713 . . . . 2.26 110.571 177.32 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -67.02 -38.16 85.44 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.392 -0.822 . . . . 2.94 110.791 179.498 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -65.05 -39.05 92.74 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.156 -0.474 . . . . 2.99 110.546 -179.476 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.419 ' O ' HD13 ' A' ' 93' ' ' LEU . 27.7 mm-40 -61.58 -44.74 96.45 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 110.047 -0.353 . . . . 1.83 110.047 175.101 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 7.4 m-70 -58.57 -42.58 88.3 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.339 -0.391 . . . . 0.58 110.436 176.422 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 33.4 m -62.93 -42.35 99.78 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.854 -0.612 . . . . 0.79 111.122 -179.565 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.53 ' O ' ' HG ' ' A' ' 96' ' ' LEU . 27.3 tp -70.73 -51.95 24.02 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.297 -0.411 . . . . 0.53 111.143 -178.47 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.419 HD13 ' O ' ' A' ' 89' ' ' GLU . 10.9 mp -61.82 -32.98 73.33 Favored 'General case' 0 CA--C 1.519 -0.215 0 CA-C-N 116.424 -0.353 . . . . 0.69 110.904 -177.584 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -63.89 -46.49 84.65 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.491 -0.322 . . . . 0.82 110.209 176.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.4 ' O ' ' HG3' ' A' ' 99' ' ' GLN . 54.8 tttp -61.35 -44.15 97.66 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.503 -0.317 . . . . 2.25 111.439 175.421 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.53 ' HG ' ' O ' ' A' ' 92' ' ' LEU . 84.4 mt -58.87 -44.87 91.16 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.308 -0.406 . . . . 0.4 110.135 178.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 28.8 m -58.37 -43.19 88.33 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.947 -0.57 . . . . 0.44 110.729 174.739 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -62.35 -46.76 87.21 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.736 0.303 . . . . 2.53 111.3 -179.268 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.4 ' HG3' ' O ' ' A' ' 95' ' ' LYS . 47.0 mt-30 -60.61 -39.78 89.44 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.995 -0.548 . . . . 2.3 110.984 -177.57 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 96.4 mt -74.35 -41.83 60.4 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.227 -0.442 . . . . 0.38 110.979 178.238 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 23.8 tm0? -62.99 -44.33 96.34 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.828 -0.624 . . . . 2.34 110.432 -178.392 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -62.07 -41.1 99.67 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.728 -0.749 . . . . 0.46 111.593 176.317 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 66.8 tp -63.38 -45.93 88.85 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.704 0.288 . . . . 0.66 110.937 178.685 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.88 -46.7 89.56 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.186 -0.461 . . . . 0.45 111.35 -177.292 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 71.0 t -62.03 -38.33 80.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 120.897 0.379 . . . . 0.68 110.79 179.018 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 92.4 m -61.54 -33.09 73.24 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.826 -0.625 . . . . 0.68 110.945 177.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.482 HG23 ' HG2' ' A' ' 46' ' ' ARG . 91.5 mt -79.27 -39.64 21.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.209 -0.451 . . . . 0.83 111.176 178.853 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 21.6 m -71.77 -17.74 62.16 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.122 0.487 . . . . 1.19 110.602 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 56.0 ttp180 . . . . . 0 N--CA 1.45 -0.473 0 CA-C-N 115.924 -0.58 . . . . 5.77 109.578 178.216 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 . . . . . 0 N--CA 1.455 -0.192 0 CA-C-O 120.134 0.016 . . . . 2.19 110.996 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -62.07 -28.78 80.47 Favored 'Trans proline' 0 C--N 1.35 0.631 0 C-N-CA 122.302 2.002 . . . . 1.45 111.505 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 54.1 mt -57.14 -39.16 74.66 Favored 'General case' 0 C--O 1.221 -0.421 0 CA-C-N 115.534 -0.757 . . . . 0.85 111.228 -179.769 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -67.17 -48.54 67.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.77 0.319 . . . . 2.75 110.603 -177.726 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.1 -44.75 95.98 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.112 -0.494 . . . . 0.71 110.957 178.195 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 23.4 tp -67.19 -40.09 86.46 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.846 -0.615 . . . . 1.09 111.131 179.244 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.46 ' O ' ' HG3' ' A' ' 22' ' ' GLN . 35.3 ttm180 -60.2 -39.67 87.36 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 110.19 -0.3 . . . . 3.33 110.19 174.761 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 48.3 ttp180 -59.13 -43.19 91.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.137 -0.483 . . . . 3.76 110.061 175.743 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 89.2 mtt180 -61.0 -43.44 98.89 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 115.788 -0.642 . . . . 4.04 110.618 174.436 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -64.56 -34.6 78.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.492 -0.322 . . . . 1.34 111.316 178.739 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.46 ' HG3' ' O ' ' A' ' 18' ' ' ARG . 96.0 mt-30 -64.57 -31.5 72.75 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-O 120.924 0.392 . . . . 2.79 110.423 176.662 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.498 ' O ' ' HG3' ' A' ' 27' ' ' GLN . 39.0 tt0 -67.26 -45.71 75.86 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.535 -0.757 . . . . 2.14 109.183 177.648 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.489 ' O ' HG23 ' A' ' 28' ' ' VAL . 73.2 mt -65.52 -36.25 83.27 Favored 'General case' 0 C--O 1.224 -0.265 0 CA-C-N 115.704 -0.68 . . . . 0.68 110.772 175.382 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 37.5 ttmt -57.8 -41.67 82.63 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.97 -0.381 . . . . 1.9 109.97 178.606 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 52.4 tp60 -68.44 -34.12 75.42 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.229 -0.441 . . . . 2.6 110.442 178.26 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.498 ' HG3' ' O ' ' A' ' 23' ' ' GLU . 27.1 mt-30 -67.76 -34.68 77.29 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.656 -0.498 . . . . 1.37 109.656 178.231 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.489 HG23 ' O ' ' A' ' 24' ' ' LEU . 82.1 t -68.47 -48.7 71.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.889 -0.596 . . . . 0.4 110.006 177.393 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -59.63 -34.98 73.49 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.139 -0.482 . . . . 1.21 110.788 177.457 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 41.6 t -65.17 -44.66 87.78 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.199 -0.455 . . . . 1.3 110.57 177.463 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.45 HD11 HG23 ' A' ' 49' ' ' ILE . 52.0 tp -64.75 -48.31 75.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.42 -0.354 . . . . 1.14 110.335 -179.398 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 86.8 mt -60.45 -33.8 73.07 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.102 -0.499 . . . . 0.67 111.093 178.265 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 33.0 t -63.44 -42.55 98.68 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.065 -0.516 . . . . 1.29 110.181 178.443 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -75.56 -32.21 60.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.155 0.503 . . . . 1.86 109.998 -179.571 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 21.5 m -73.43 -10.59 59.89 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.616 -0.72 . . . . 1.33 111.301 179.763 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 9.9 tt0 -100.4 -10.36 21.25 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.472 0.653 . . . . 2.91 109.473 -174.435 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 87.7 mt -66.82 136.54 55.59 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.332 -0.849 . . . . 0.95 110.176 -178.797 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 7.8 ptpp? -63.57 -29.64 70.87 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.199 -0.455 . . . . 3.61 109.959 177.092 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 44.3 mm-40 -73.07 -17.23 61.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.517 -0.765 . . . . 3.24 111.073 177.465 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -86.69 -0.21 55.84 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.326 -0.397 . . . . 1.2 111.467 -177.61 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 49.0 tp -72.51 -9.09 58.13 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.345 0.593 . . . . 2.76 110.253 176.778 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 22.3 mm-40 -73.63 129.86 84.68 Favored Pre-proline 0 C--N 1.323 -0.563 0 CA-C-N 115.813 -0.63 . . . . 3.43 110.499 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_exo -46.3 -43.66 21.13 Favored 'Trans proline' 0 C--N 1.348 0.538 0 C-N-CA 123.05 2.5 . . . . 1.63 114.184 -171.413 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 84.1 m-20 -59.69 -43.26 94.13 Favored 'General case' 0 N--CA 1.464 0.235 0 N-CA-C 111.491 0.182 . . . . 1.75 111.491 -176.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.41 ' O ' HG13 ' A' ' 49' ' ' ILE . 16.9 tppt? -64.6 -42.81 95.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.761 -0.2 . . . . 1.99 110.701 179.353 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 13.8 mmt180 -57.12 -43.83 82.74 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.379 -0.373 . . . . 3.72 110.832 179.603 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 68.3 mt-30 -61.44 -39.28 90.27 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.83 -0.623 . . . . 2.64 110.765 179.211 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 16.6 t60 -69.48 -34.87 74.98 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.994 -0.548 . . . . 1.02 110.152 -179.233 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.45 HG23 HD11 ' A' ' 31' ' ' LEU . 85.5 mt -65.96 -42.28 91.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.927 -0.578 . . . . 0.61 110.961 178.855 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 72.3 t80 -54.01 -41.02 67.51 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 116.34 -0.391 . . . . 0.46 111.355 178.592 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.56 ' O ' ' HG2' ' A' ' 55' ' ' GLN . 51.7 tp60 -67.06 -42.3 85.0 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.403 -0.362 . . . . 1.48 110.305 -179.474 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -66.53 -31.75 72.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.485 . . . . 3.69 111.307 179.042 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.448 ' SG ' ' HB2' ' A' ' 104' ' ' ALA . 45.7 t -67.29 -42.31 83.95 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.708 -0.478 . . . . 0.54 109.708 -178.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 60.8 mt -58.88 -39.96 78.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.826 -0.625 . . . . 0.44 110.876 176.263 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.56 ' HG2' ' O ' ' A' ' 51' ' ' GLN . 77.0 mm-40 -65.18 -50.84 64.4 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.08 -0.509 . . . . 2.54 111.165 -178.154 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.403 ' O ' HG13 ' A' ' 60' ' ' ILE . 65.6 mt -61.28 -38.25 86.11 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.464 -0.335 . . . . 0.4 111.675 178.667 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 64.0 tttm -62.43 -41.42 98.71 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.839 0.352 . . . . 1.78 110.213 179.761 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 47.3 tt0 -63.88 -38.41 90.98 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.927 -0.579 . . . . 2.41 110.442 176.705 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -66.3 -45.31 80.82 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.967 -0.56 . . . . 0.26 111.56 -179.285 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.403 HG13 ' O ' ' A' ' 56' ' ' LEU . 73.1 mt -64.67 -41.97 93.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 121.04 0.448 . . . . 0.36 110.016 179.562 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -59.84 -36.86 77.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.612 -0.722 . . . . 0.64 110.404 177.326 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 19.5 tp10 -61.36 -47.19 86.98 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.367 -0.833 . . . . 2.28 110.712 179.021 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -72.21 -33.68 67.78 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.738 -0.385 . . . . 1.07 110.983 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 59.9 tttp -56.79 -45.87 81.91 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 120.988 0.423 . . . . 1.48 110.073 173.18 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 -64.27 -37.54 87.86 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.739 -0.664 . . . . 1.35 110.89 179.012 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -66.71 -45.88 77.35 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.027 -0.533 . . . . 0.46 110.115 177.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 53.3 tp -61.09 -42.8 99.18 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.497 -0.774 . . . . 0.57 111.025 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 51.0 tp60 -63.26 -31.18 72.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.112 -0.494 . . . . 1.8 111.451 178.348 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 26.2 tptp . . . . . 0 C--N 1.33 -0.279 0 CA-C-O 120.885 0.374 . . . . 2.67 110.674 -178.888 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 36.0 t80 . . . . . 0 N--CA 1.462 0.141 0 N-CA-C 109.63 -0.508 . . . . 1.57 109.63 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.551 ' O ' ' HG3' ' A' ' 87' ' ' GLU . 91.4 m-20 -66.43 -42.85 87.08 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.944 -0.571 . . . . 1.92 111.027 -179.516 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . 0.655 ' HA ' HE21 ' A' ' 84' ' ' GLN . 0.0 OUTLIER -60.17 -45.73 92.08 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.427 -0.351 . . . . 3.57 111.355 -177.437 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -63.17 -33.11 74.76 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.232 0.539 . . . . 3.59 109.913 -179.329 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 21.5 ttmm -70.65 -44.16 67.71 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.334 -0.848 . . . . 2.26 110.751 178.253 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.551 ' HG3' ' O ' ' A' ' 83' ' ' ASN . 48.3 mt-10 -68.49 -43.22 77.36 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.343 -0.39 . . . . 2.94 110.805 -178.807 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 40.6 mm-40 -65.06 -31.57 72.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.332 -0.395 . . . . 2.99 110.993 179.558 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 23.4 tp10 -68.55 -35.34 77.28 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.784 -0.45 . . . . 1.83 109.784 178.541 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 7.7 m-70 -61.33 -42.58 98.92 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.191 -0.459 . . . . 0.58 110.194 174.648 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 18.8 m -61.42 -38.51 87.39 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.789 -0.641 . . . . 0.79 110.929 178.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 63.2 tp -70.92 -51.45 25.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 0.53 111.115 179.375 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 94.8 mt -64.58 -32.98 74.86 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.139 -0.482 . . . . 0.69 111.365 -175.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -63.86 -45.28 90.19 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.596 -0.275 . . . . 0.82 110.394 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 55.7 tttp -59.29 -49.53 77.49 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.619 -0.264 . . . . 2.25 111.38 177.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 86.4 mt -59.27 -46.39 88.64 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.379 -0.373 . . . . 0.4 110.806 -178.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 27.6 m -59.7 -45.87 90.79 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.422 -0.353 . . . . 0.44 111.179 176.191 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 7.2 tp60 -64.47 -40.57 95.93 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.169 -0.469 . . . . 2.53 111.263 -178.207 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 31.4 tt0 -65.02 -41.88 94.88 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.754 -0.657 . . . . 2.3 110.614 -177.75 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.417 HD11 HG22 ' A' ' 28' ' ' VAL . 77.6 mt -71.12 -47.19 59.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.952 -0.567 . . . . 0.38 111.043 179.697 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 51.0 tp60 -61.47 -35.75 78.51 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.177 -0.465 . . . . 2.34 110.388 -178.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -64.9 -45.29 92.93 Favored Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 120.523 -0.846 . . . . 0.46 111.618 175.294 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 65.0 tp -64.31 -41.24 96.92 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.911 0.386 . . . . 0.66 110.578 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.448 ' HB2' ' SG ' ' A' ' 53' ' ' CYS . . . -58.14 -46.44 85.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.841 -0.618 . . . . 0.45 110.872 -179.758 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 97.4 t -67.55 -34.83 70.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.813 0.34 . . . . 0.68 110.671 178.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 88.1 m -61.07 -39.97 91.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.937 0.399 . . . . 0.68 110.681 177.527 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 65.9 mt -78.98 -35.27 17.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 121.017 0.436 . . . . 0.83 110.646 178.299 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 38.6 t -63.73 -27.15 69.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.027 -0.533 . . . . 1.19 110.499 178.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 74.8 mtp180 . . . . . 0 C--N 1.325 -0.489 0 CA-C-N 115.909 -0.587 . . . . 5.77 109.661 -179.968 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 . . . . . 0 C--O 1.235 0.321 0 CA-C-O 120.682 0.277 . . . . 2.19 111.098 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -64.37 -35.71 48.77 Favored 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 122.419 2.079 . . . . 1.45 111.269 176.77 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 73.5 mt -62.5 -39.93 95.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.534 -0.757 . . . . 0.85 110.982 -177.51 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -66.09 -48.3 71.4 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.612 0.244 . . . . 2.75 110.966 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.94 -45.17 78.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.926 0.393 . . . . 0.71 110.908 -178.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 39.2 tp -62.62 -36.83 84.03 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.976 -0.556 . . . . 1.09 110.868 177.654 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.443 ' HB2' ' NH2' ' A' ' 85' ' ' ARG . 76.5 ttt180 -59.14 -35.51 73.62 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-O 120.748 0.309 . . . . 3.33 110.331 177.251 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 38.4 mtp85 -61.55 -42.17 98.44 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.139 0.495 . . . . 3.76 110.172 176.787 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 31.0 mmt180 -70.69 -36.23 73.18 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.928 -0.578 . . . . 4.04 110.904 175.739 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 97.5 m-20 -63.82 -40.73 97.32 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.631 0.253 . . . . 1.34 110.598 175.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 53.1 tt0 -63.74 -32.0 73.36 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.03 0.443 . . . . 2.79 110.418 177.004 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.403 ' O ' ' HG3' ' A' ' 27' ' ' GLN . 9.3 tp10 -65.86 -48.2 72.37 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.419 -0.81 . . . . 2.14 109.0 -179.601 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.468 ' O ' HG23 ' A' ' 28' ' ' VAL . 91.0 mt -67.87 -36.75 80.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.126 -0.943 . . . . 0.68 110.595 178.214 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 20.4 tptm -57.8 -46.52 84.52 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.52 -0.309 . . . . 1.9 110.785 178.484 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.656 ' HA ' HE21 ' A' ' 26' ' ' GLN . 0.0 OUTLIER -64.17 -32.76 74.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.031 0.443 . . . . 2.6 110.508 179.188 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.403 ' HG3' ' O ' ' A' ' 23' ' ' GLU . 28.5 mt-30 -70.03 -33.92 72.61 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.951 -0.568 . . . . 1.37 109.798 178.316 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.468 HG23 ' O ' ' A' ' 24' ' ' LEU . 74.9 t -67.75 -43.62 86.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 N-CA-C 109.901 -0.407 . . . . 0.4 109.901 176.545 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -58.02 -36.56 72.88 Favored 'General case' 0 CA--C 1.519 -0.244 0 CA-C-O 121.108 0.48 . . . . 1.21 109.936 175.484 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.607 ' O ' ' HG2' ' A' ' 34' ' ' GLU . 42.2 m -66.88 -40.86 87.94 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.597 -0.729 . . . . 1.3 110.621 178.524 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.434 ' O ' HD13 ' A' ' 31' ' ' LEU . 1.6 tm? -65.16 -40.85 94.92 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.472 -0.566 . . . . 1.14 109.472 -179.243 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.461 ' O ' ' HG2' ' A' ' 36' ' ' GLN . 97.0 mt -63.35 -40.48 97.41 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.106 -0.497 . . . . 0.67 111.058 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 11.9 p -71.42 -32.21 68.13 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.458 -0.337 . . . . 1.29 111.773 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.607 ' HG2' ' O ' ' A' ' 30' ' ' SER . 42.3 mm-40 -75.5 -37.86 59.87 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 121.188 0.518 . . . . 1.86 110.872 -178.008 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 22.0 p -71.65 -11.21 60.72 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.84 -0.618 . . . . 1.33 112.088 -174.15 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.461 ' HG2' ' O ' ' A' ' 32' ' ' LEU . 34.8 mm-40 -103.39 1.51 32.7 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.972 -0.381 . . . . 2.91 109.972 -176.748 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.591 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 93.7 mt -75.87 133.94 40.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.066 -0.515 . . . . 0.95 110.14 -178.671 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 54.9 mttp -65.4 -33.32 75.68 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.273 -0.876 . . . . 3.61 110.804 -175.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -76.45 -21.83 55.38 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.083 -0.508 . . . . 3.24 110.681 178.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.456 ' HB1' HD11 ' A' ' 49' ' ' ILE . . . -92.38 -0.86 57.34 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.987 -0.551 . . . . 1.2 111.144 -176.688 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.591 ' HG ' ' O ' ' A' ' 37' ' ' LEU . 92.2 mt -85.21 3.99 36.73 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.847 -0.615 . . . . 2.76 110.765 179.153 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.543 ' O ' ' HG3' ' A' ' 46' ' ' ARG . 51.7 mm-40 -69.31 143.52 93.71 Favored Pre-proline 0 C--N 1.325 -0.496 0 CA-C-N 115.967 -0.56 . . . . 3.43 110.343 177.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_endo -50.28 -48.41 20.13 Favored 'Trans proline' 0 C--N 1.348 0.52 0 C-N-CA 122.897 2.398 . . . . 1.63 113.445 -171.401 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -68.55 -40.79 80.51 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.816 -0.175 . . . . 1.75 111.084 -174.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.407 ' HG2' ' HA ' ' A' ' 40' ' ' ALA . 27.7 tptp -62.52 -31.41 72.18 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.635 -0.257 . . . . 1.99 110.877 -179.586 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.543 ' HG3' ' O ' ' A' ' 42' ' ' GLU . 96.0 mtt180 -56.7 -42.08 78.52 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.396 -0.365 . . . . 3.72 110.756 178.625 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -64.66 -36.06 83.03 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.938 0.399 . . . . 2.64 110.815 178.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 7.8 t60 -69.86 -38.8 76.55 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.978 -0.555 . . . . 1.02 110.065 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.456 HD11 ' HB1' ' A' ' 40' ' ' ALA . 65.2 mt -69.45 -43.4 80.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.286 -0.416 . . . . 0.61 110.188 178.317 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 58.6 t80 -54.28 -40.27 67.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 0.46 110.879 175.73 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 57.6 tp60 -64.46 -44.88 89.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.029 0.443 . . . . 1.48 110.38 177.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.453 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 28.3 mmm180 -65.76 -33.03 74.92 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.052 -0.522 . . . . 3.69 110.953 -179.595 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 31.3 t -68.0 -41.67 81.91 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.078 -0.51 . . . . 0.54 109.763 179.11 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 62.0 mt -59.06 -40.78 81.59 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-N 115.787 -0.642 . . . . 0.44 110.722 175.475 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 58.2 tp60 -60.73 -50.1 74.84 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.26 -0.427 . . . . 2.54 110.7 -179.387 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.453 ' HG ' ' O ' ' A' ' 52' ' ' ARG . 52.6 mt -60.61 -40.19 90.94 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.242 -0.435 . . . . 0.4 111.405 178.079 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 39.8 ttpt -61.35 -45.85 92.67 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.997 0.427 . . . . 1.78 110.566 -178.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -64.11 -35.85 82.11 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.79 -0.641 . . . . 2.41 111.05 178.532 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -67.03 -40.01 87.1 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.348 -0.387 . . . . 0.26 111.195 179.508 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.442 HG13 ' O ' ' A' ' 56' ' ' LEU . 77.9 mt -66.79 -44.07 89.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.363 -0.38 . . . . 0.36 110.376 178.833 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -60.07 -36.3 77.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.83 -0.623 . . . . 0.64 109.988 178.407 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -61.0 -47.27 87.22 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.403 -0.817 . . . . 2.28 110.99 177.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 7.6 m-20 -65.46 -42.79 91.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.446 . . . . 1.07 110.743 178.65 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 84.5 tttt -60.23 -46.09 90.96 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.893 -0.594 . . . . 1.48 110.677 178.606 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -66.09 -36.48 83.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.082 -0.508 . . . . 1.35 111.092 -178.404 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -63.86 -47.48 80.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.985 0.421 . . . . 0.46 110.694 177.425 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 56.8 tp -63.56 -43.8 95.98 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.9 -0.591 . . . . 0.57 110.75 179.313 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 63.5 tt0 -63.56 -28.43 69.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.87 -0.605 . . . . 1.8 111.122 179.548 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 28.7 ttpp . . . . . 0 C--N 1.329 -0.308 0 CA-C-O 120.943 0.402 . . . . 2.67 110.759 -178.842 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 26.7 t80 . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.828 0.347 . . . . 1.57 110.198 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 76.1 m-20 -68.64 -41.07 79.89 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-O 121.177 0.513 . . . . 1.92 110.278 -179.382 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . 0.498 ' O ' ' HG2' ' A' ' 88' ' ' GLU . 8.1 tt0 -61.16 -51.0 70.9 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.394 -0.821 . . . . 3.57 110.869 -177.486 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.467 ' O ' ' HG2' ' A' ' 89' ' ' GLU . 11.2 mtp180 -67.92 -35.17 77.98 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.395 -0.366 . . . . 3.59 111.688 -176.058 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 38.8 ttmt -59.5 -39.56 84.21 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.108 0.48 . . . . 2.26 110.277 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 15.9 tp10 -71.73 -39.63 69.97 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.89 -0.596 . . . . 2.94 110.386 178.055 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.498 ' HG2' ' O ' ' A' ' 84' ' ' GLN . 47.9 mm-40 -63.98 -37.72 88.44 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.09 -0.504 . . . . 2.99 111.595 -176.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.467 ' HG2' ' O ' ' A' ' 85' ' ' ARG . 70.0 mm-40 -60.82 -42.63 98.06 Favored 'General case' 0 C--N 1.332 -0.163 0 N-CA-C 109.598 -0.519 . . . . 1.83 109.598 177.499 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 32.1 m-70 -63.53 -37.95 89.26 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.872 -0.604 . . . . 0.58 110.503 176.474 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 25.9 m -65.92 -38.9 89.89 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.999 0.428 . . . . 0.79 111.031 -179.41 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.457 ' O ' ' HG ' ' A' ' 96' ' ' LEU . 57.8 tp -70.22 -51.9 27.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.102 -0.499 . . . . 0.53 110.648 179.525 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 89.9 mt -66.29 -33.37 75.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.494 . . . . 0.69 111.096 -175.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -64.43 -45.24 88.36 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.742 -0.208 . . . . 0.82 111.126 -178.434 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 59.9 tttp -62.36 -45.1 94.71 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.725 0.298 . . . . 2.25 110.555 178.338 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.457 ' HG ' ' O ' ' A' ' 92' ' ' LEU . 86.4 mt -59.24 -46.57 88.14 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.94 -0.573 . . . . 0.4 110.485 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 28.0 m -58.86 -46.1 88.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.23 -0.441 . . . . 0.44 111.335 177.318 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 8.7 tp-100 -68.46 -41.17 80.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.28 -0.418 . . . . 2.53 111.1 -176.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 9.9 tt0 -63.76 -48.23 77.81 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.983 -0.553 . . . . 2.3 110.766 -179.678 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 66.8 mt -63.95 -44.56 92.46 Favored 'General case' 0 C--O 1.222 -0.369 0 CA-C-N 116.194 -0.457 . . . . 0.38 110.776 -178.682 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 52.3 tp60 -61.51 -40.68 95.5 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.451 -0.34 . . . . 2.34 110.361 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -67.51 -43.32 86.93 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.763 -0.732 . . . . 0.46 111.998 177.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.467 ' O ' HG13 ' A' ' 107' ' ' ILE . 54.3 tp -68.16 -42.8 79.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.546 0.213 . . . . 0.66 110.895 -179.64 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -56.08 -46.75 78.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.948 0.404 . . . . 0.45 110.933 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 96.3 t -65.4 -32.55 58.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.0 -0.545 . . . . 0.68 110.604 178.183 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 60.4 m -66.92 -42.11 85.92 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.232 -0.44 . . . . 0.68 110.683 176.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.467 HG13 ' O ' ' A' ' 103' ' ' LEU . 73.0 mt -68.78 -40.27 81.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.196 -0.456 . . . . 0.83 110.761 -178.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 41.9 t -80.16 -5.51 56.17 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.026 -0.533 . . . . 1.19 110.241 -179.564 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 24.7 mmt180 . . . . . 0 C--O 1.232 0.177 0 CA-C-N 115.346 -0.843 . . . . 5.77 111.412 178.867 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.8 t70 . . . . . 0 C--O 1.234 0.252 0 CA-C-O 121.193 0.521 . . . . 2.19 110.698 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -60.12 -28.66 87.44 Favored 'Trans proline' 0 C--N 1.348 0.532 0 C-N-CA 123.194 2.596 . . . . 1.45 112.935 -177.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 95.2 mt -57.74 -38.87 76.1 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.675 -0.239 . . . . 0.85 110.707 178.71 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -62.01 -45.15 94.88 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-O 120.729 0.3 . . . . 2.75 110.989 177.615 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.93 -45.01 94.52 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.993 0.425 . . . . 0.71 110.658 179.447 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.461 HD21 ' HB2' ' A' ' 67' ' ' LEU . 51.3 tp -64.91 -37.78 88.78 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.969 -0.56 . . . . 1.09 110.879 177.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.436 ' O ' ' HG2' ' A' ' 22' ' ' GLN . 37.7 ttp180 -58.7 -37.84 76.98 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.827 -0.434 . . . . 3.33 109.827 177.486 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 68.7 ttt180 -63.74 -42.32 97.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.968 -0.56 . . . . 3.76 110.154 176.523 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.415 HH11 ' HD2' ' A' ' 20' ' ' ARG . 36.4 mtp85 -61.74 -42.34 98.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.805 -0.634 . . . . 4.04 110.781 175.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 89.5 m-20 -63.18 -39.08 93.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.465 -0.334 . . . . 1.34 111.368 178.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.436 ' HG2' ' O ' ' A' ' 18' ' ' ARG . 18.0 mm-40 -63.58 -32.27 73.68 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-O 121.237 0.542 . . . . 2.79 110.477 177.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.477 ' O ' ' HG3' ' A' ' 27' ' ' GLN . 35.8 tt0 -70.29 -44.43 68.37 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.57 -0.741 . . . . 2.14 109.622 178.737 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.608 HD11 ' ND2' ' A' ' 63' ' ' ASN . 97.3 mt -64.65 -40.19 95.01 Favored 'General case' 0 CA--C 1.516 -0.331 0 CA-C-N 115.717 -0.674 . . . . 0.68 110.93 178.31 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 53.4 tttm -58.14 -40.97 82.67 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.774 0.321 . . . . 1.9 110.412 179.759 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -64.56 -34.31 77.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.28 -0.418 . . . . 2.6 110.4 178.1 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.477 ' HG3' ' O ' ' A' ' 23' ' ' GLU . 25.3 mt-30 -69.23 -37.18 77.87 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.026 -0.534 . . . . 1.37 110.313 179.771 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 85.6 t -68.96 -46.65 78.6 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-N 116.199 -0.455 . . . . 0.4 110.316 179.02 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -60.0 -33.11 71.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.049 -0.523 . . . . 1.21 110.513 176.348 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 26.7 t -64.24 -42.61 96.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 1.3 110.134 177.327 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.462 HD11 HG23 ' A' ' 49' ' ' ILE . 44.5 tp -62.41 -47.08 85.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.08 -0.509 . . . . 1.14 110.202 177.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 94.5 mt -59.65 -33.02 71.01 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.601 -0.727 . . . . 0.67 110.904 177.706 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 32.4 t -62.64 -41.93 99.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.409 -0.36 . . . . 1.29 110.511 178.736 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -73.69 -40.46 63.62 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.306 0.574 . . . . 1.86 109.757 179.238 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 29.0 t -68.88 -10.04 54.88 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.245 -0.888 . . . . 1.33 111.453 -178.38 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 27.3 tt0 -96.64 -5.01 39.99 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.594 0.712 . . . . 2.91 109.78 -175.068 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 85.6 mt -88.74 153.38 21.14 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.643 -0.708 . . . . 0.95 110.307 -177.767 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 62.4 tttp -71.75 -29.98 65.1 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.111 -0.495 . . . . 3.61 110.148 178.741 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -68.02 -17.79 64.52 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.688 -0.687 . . . . 3.24 110.881 179.15 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -74.65 -13.38 60.63 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.074 -0.512 . . . . 1.2 111.642 -176.695 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 27.0 tp -85.45 3.69 39.03 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.419 0.628 . . . . 2.76 110.151 178.708 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.565 ' OE1' ' HD2' ' A' ' 43' ' ' PRO . 10.5 tp10 -81.45 119.2 75.01 Favored Pre-proline 0 C--N 1.324 -0.514 0 N-CA-C 108.86 -0.792 . . . . 3.43 108.86 175.36 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.565 ' HD2' ' OE1' ' A' ' 42' ' ' GLU . 82.7 Cg_exo -45.66 -42.51 19.0 Favored 'Trans proline' 0 C--N 1.352 0.715 0 C-N-CA 123.026 2.484 . . . . 1.63 114.203 -170.425 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 7.2 m-20 -59.81 -47.95 83.64 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 120.566 0.222 . . . . 1.75 111.182 -178.529 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.449 ' O ' HG13 ' A' ' 49' ' ' ILE . 0.0 OUTLIER -74.37 -37.84 63.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.981 0.42 . . . . 1.99 110.629 178.645 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 39.7 ttt180 -61.37 -43.35 99.02 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.514 -0.767 . . . . 3.72 111.092 -177.431 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.403 ' HG2' ' O ' ' A' ' 43' ' ' PRO . 11.7 mm100 -68.11 -31.66 71.42 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-O 120.989 0.423 . . . . 2.64 110.342 178.081 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 33.0 t60 -66.99 -34.54 77.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.034 -0.53 . . . . 1.02 109.842 177.324 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.462 HG23 HD11 ' A' ' 31' ' ' LEU . 70.3 mt -59.42 -41.7 85.34 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.144 0 CA-C-N 116.279 -0.419 . . . . 0.61 110.382 176.323 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 26.6 t80 -54.74 -40.92 69.79 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 116.098 -0.501 . . . . 0.46 111.236 176.278 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 59.5 tp60 -65.95 -44.11 85.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.872 0.368 . . . . 1.48 110.532 179.229 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.537 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 82.5 mtt180 -61.23 -36.71 80.68 Favored 'General case' 0 CA--C 1.52 -0.21 0 CA-C-O 121.003 0.43 . . . . 3.69 110.549 177.093 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 4.6 t -67.49 -42.32 83.11 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.482 -0.781 . . . . 0.54 109.909 -175.556 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 69.0 mt -59.95 -47.69 90.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.885 -0.598 . . . . 0.44 111.037 176.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 25.8 tm0? -63.15 -49.33 74.76 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.256 -0.429 . . . . 2.54 110.973 -176.515 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.537 ' HG ' ' O ' ' A' ' 52' ' ' ARG . 78.4 mt -59.91 -37.0 78.17 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.593 -0.276 . . . . 0.4 111.391 178.466 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 82.2 tttt -64.74 -39.44 93.63 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.961 0.41 . . . . 1.78 110.038 178.365 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 -63.56 -35.72 81.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.89 -0.595 . . . . 2.41 110.858 178.618 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -68.15 -40.11 82.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.27 -0.423 . . . . 0.26 111.018 179.496 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 65.7 mt -67.28 -42.31 87.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-O 120.933 0.397 . . . . 0.36 110.266 178.499 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -59.57 -39.76 85.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.851 -0.613 . . . . 0.64 110.2 178.166 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -61.35 -47.81 84.19 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.486 -0.779 . . . . 2.28 111.002 179.399 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . 0.608 ' ND2' HD11 ' A' ' 24' ' ' LEU . 28.8 m-80 -69.89 -37.09 75.91 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.207 -0.451 . . . . 1.07 110.81 -179.736 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 81.7 tttt -60.26 -44.55 95.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.99 0.424 . . . . 1.48 110.125 174.609 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -67.53 -36.23 80.61 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.917 -0.583 . . . . 1.35 110.719 179.18 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -62.17 -44.22 97.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.092 0.472 . . . . 0.46 110.413 177.785 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.461 ' HB2' HD21 ' A' ' 17' ' ' LEU . 32.0 tp -64.04 -42.44 97.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.658 -0.701 . . . . 0.57 111.071 178.63 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -73.54 -24.12 60.09 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.066 0.46 . . . . 1.8 110.631 179.644 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 86.9 tttt . . . . . 0 C--N 1.33 -0.264 0 CA-C-O 121.419 0.628 . . . . 2.67 109.692 175.151 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 11.8 t80 . . . . . 0 CA--C 1.53 0.209 0 CA-C-O 120.897 0.38 . . . . 1.57 110.606 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -71.61 -45.76 61.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.015 0.436 . . . . 1.92 110.526 -178.635 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . 0.431 ' O ' ' HG2' ' A' ' 88' ' ' GLU . 48.1 mt-30 -68.58 -48.29 64.57 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.627 -0.715 . . . . 3.57 111.105 -176.055 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -63.53 -37.68 88.23 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.229 -0.441 . . . . 3.59 111.118 -175.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 35.7 ttmt -61.37 -46.31 90.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.067 0.46 . . . . 2.26 110.629 178.549 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -71.71 -35.56 70.26 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.04 -0.527 . . . . 2.94 111.161 -178.552 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.431 ' HG2' ' O ' ' A' ' 84' ' ' GLN . 63.6 mm-40 -58.01 -40.82 81.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.655 0.264 . . . . 2.99 111.402 -179.533 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -69.61 -35.14 75.01 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.811 -0.356 . . . . 1.83 110.368 179.534 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 9.4 m-70 -61.06 -46.88 88.9 Favored 'General case' 0 N--CA 1.464 0.259 0 N-CA-C 109.762 -0.458 . . . . 0.58 109.762 173.241 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 25.6 m -58.1 -43.13 86.95 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.639 -0.709 . . . . 0.79 111.245 -179.246 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.449 ' O ' ' HG ' ' A' ' 96' ' ' LEU . 60.5 tp -70.44 -52.4 22.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.53 111.233 -179.08 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 94.4 mt -66.27 -33.69 76.3 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.295 -0.412 . . . . 0.69 111.709 -173.782 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -68.21 -44.47 75.72 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.702 -0.399 . . . . 0.82 110.754 -177.63 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.447 ' O ' ' HG2' ' A' ' 99' ' ' GLN . 35.1 ttpt -60.7 -44.32 96.72 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.627 0.251 . . . . 2.25 110.615 177.048 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.449 ' HG ' ' O ' ' A' ' 92' ' ' LEU . 90.4 mt -58.81 -43.36 90.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.097 -0.501 . . . . 0.4 110.502 178.035 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 39.3 m -58.76 -43.36 90.32 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.851 0.357 . . . . 0.44 110.874 175.232 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 23.6 tt0 -66.54 -40.98 89.38 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.017 -0.538 . . . . 2.53 111.213 -177.735 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.447 ' HG2' ' O ' ' A' ' 95' ' ' LYS . 85.6 mm-40 -63.99 -45.19 90.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 2.3 110.764 -179.685 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 67.6 mt -66.94 -39.55 87.35 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.125 -0.489 . . . . 0.38 110.306 179.663 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 23.3 tm0? -61.8 -42.76 99.42 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.646 -0.706 . . . . 2.34 109.73 178.128 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -65.74 -45.8 86.86 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 121.015 -0.612 . . . . 0.46 112.282 179.041 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 63.2 tp -63.82 -45.19 90.7 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.852 0.358 . . . . 0.66 110.421 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -57.89 -46.68 84.54 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.785 -0.643 . . . . 0.45 111.186 -178.74 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 77.6 t -69.15 -37.91 77.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.37 -0.377 . . . . 0.68 111.105 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 97.1 m -61.48 -37.91 85.36 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.824 0.345 . . . . 0.68 111.211 179.219 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 77.2 mt -75.68 -32.86 25.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 121.144 0.497 . . . . 0.83 110.702 177.524 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 43.0 t -77.73 -17.16 57.88 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.073 -0.512 . . . . 1.19 110.746 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 40.0 ttp180 . . . . . 0 C--N 1.323 -0.574 0 CA-C-O 121.279 0.561 . . . . 5.77 110.19 -177.538 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 . . . . . 0 N--CA 1.455 -0.205 0 N-CA-C 110.276 -0.268 . . . . 2.19 110.276 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 25.7 Cg_exo -62.27 -29.9 80.7 Favored 'Trans proline' 0 C--N 1.343 0.26 0 C-N-CA 122.31 2.007 . . . . 1.45 110.837 177.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 67.9 mt -65.86 -32.46 73.99 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.074 -0.967 . . . . 0.85 110.781 177.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -65.33 -47.08 77.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.992 0.425 . . . . 2.75 110.343 178.68 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.38 -44.19 88.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.979 -0.555 . . . . 0.71 110.472 178.587 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 56.6 tp -64.09 -43.97 93.76 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.926 -0.579 . . . . 1.09 111.087 179.19 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 35.3 ttm180 -59.41 -37.93 79.31 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.683 0.277 . . . . 3.33 111.123 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.417 HH11 ' HD3' ' A' ' 19' ' ' ARG . 43.9 ttp180 -60.01 -43.81 94.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.208 0.527 . . . . 3.76 109.683 175.713 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 92.3 mtt180 -69.27 -38.03 78.18 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.357 -0.838 . . . . 4.04 111.324 177.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 -64.41 -41.07 96.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.48 0.181 . . . . 1.34 110.752 177.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 49.5 tt0 -66.78 -30.13 70.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.903 0.383 . . . . 2.79 110.006 176.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -63.97 -46.38 84.88 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.204 -0.665 . . . . 2.14 109.204 177.509 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.479 ' O ' HG23 ' A' ' 28' ' ' VAL . 88.3 mt -69.65 -38.93 77.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.564 -0.744 . . . . 0.68 110.836 177.531 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 63.7 tttm -60.21 -40.57 90.56 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.459 -0.337 . . . . 1.9 110.794 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 56.0 tt0 -64.88 -35.47 81.23 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.185 0.516 . . . . 2.6 110.022 177.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -70.66 -34.43 72.03 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.673 -0.694 . . . . 1.37 110.704 179.406 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.479 HG23 ' O ' ' A' ' 24' ' ' LEU . 71.9 t -67.33 -48.31 78.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.486 -0.324 . . . . 0.4 110.279 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -62.98 -36.88 84.99 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.429 -0.35 . . . . 1.21 111.05 178.229 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 9.0 t -66.22 -38.03 86.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.99 0.424 . . . . 1.3 110.034 178.497 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -63.61 -45.99 87.8 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.377 -0.601 . . . . 1.14 109.377 177.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.478 HD11 ' NE2' ' A' ' 99' ' ' GLN . 97.0 mt -60.34 -33.58 72.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.935 -0.575 . . . . 0.67 110.961 177.032 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 40.7 m -62.67 -40.04 95.83 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.224 -0.444 . . . . 1.29 110.635 179.704 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -75.89 -35.62 59.78 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.086 0.469 . . . . 1.86 110.254 178.511 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 11.5 t -68.09 -10.29 52.78 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.591 -0.731 . . . . 1.33 110.763 -179.35 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -98.14 -8.82 26.84 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-O 121.487 0.661 . . . . 2.91 109.495 -175.547 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 87.0 mt -78.7 135.48 37.18 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.466 -0.788 . . . . 0.95 110.569 -177.134 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 58.4 mtpt -70.74 -29.47 65.73 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.347 -0.842 . . . . 3.61 110.613 -179.532 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -73.15 -18.19 61.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.992 -0.549 . . . . 3.24 110.229 176.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -76.77 -0.45 23.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.296 -0.411 . . . . 1.2 110.766 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 58.8 tp -67.41 -14.62 63.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.76 -0.655 . . . . 2.76 109.985 173.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.454 ' HG3' ' H ' ' A' ' 45' ' ' LYS . 11.8 tp10 -52.14 115.86 7.47 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-N 115.496 -0.775 . . . . 3.43 110.062 174.047 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.423 ' HD2' ' OE1' ' A' ' 42' ' ' GLU . 69.9 Cg_exo -51.28 -31.01 35.5 Favored 'Trans proline' 0 C--N 1.354 0.842 0 C-N-CA 122.907 2.405 . . . . 1.63 112.732 179.798 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 88.8 m-20 -69.57 -47.82 62.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.507 -0.315 . . . . 1.75 110.249 178.482 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.454 ' H ' ' HG3' ' A' ' 42' ' ' GLU . 23.4 tptm -66.88 -34.47 77.86 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.574 -0.285 . . . . 1.99 110.956 178.7 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 60.6 mtp180 -58.0 -41.13 82.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.666 0.269 . . . . 3.72 110.81 177.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 85.8 mm-40 -67.89 -33.32 74.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.924 0.392 . . . . 2.64 110.505 177.481 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 28.0 t60 -68.07 -41.59 81.72 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.109 -0.496 . . . . 1.02 109.944 177.596 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.402 HG13 ' O ' ' A' ' 45' ' ' LYS . 74.2 mt -66.12 -45.16 91.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.61 109.931 178.461 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 51.2 t80 -54.17 -41.19 68.25 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.92 -0.582 . . . . 0.46 111.519 176.567 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 48.3 tp60 -65.67 -45.97 80.89 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.78 0.324 . . . . 1.48 110.999 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.556 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 36.3 mmt180 -67.95 -32.11 72.31 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.758 0.313 . . . . 3.69 111.047 -179.758 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 36.6 t -67.12 -44.02 80.96 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.112 -0.495 . . . . 0.54 110.006 179.373 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 65.1 mt -58.78 -44.56 90.52 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 115.977 -0.556 . . . . 0.44 111.033 175.43 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 40.4 tt0 -61.17 -48.96 79.14 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.81 -0.632 . . . . 2.54 110.814 -176.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.556 ' HG ' ' O ' ' A' ' 52' ' ' ARG . 71.5 mt -61.37 -39.43 90.61 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.368 -0.378 . . . . 0.4 111.287 178.543 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 41.7 tttp -59.18 -45.07 92.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.98 0.419 . . . . 1.78 110.563 179.198 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 81.3 mt-30 -65.9 -34.39 78.02 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.897 -0.592 . . . . 2.41 111.242 177.266 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -68.62 -38.66 80.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.882 0.373 . . . . 0.26 110.881 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.485 HG13 ' O ' ' A' ' 56' ' ' LEU . 75.3 mt -69.19 -39.64 79.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 121.024 0.44 . . . . 0.36 110.041 178.062 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -60.07 -36.73 78.01 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 115.71 -0.677 . . . . 0.64 109.966 176.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -62.15 -47.0 86.49 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.34 -0.845 . . . . 2.28 110.691 176.055 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -64.18 -38.96 92.94 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.453 -0.339 . . . . 1.07 110.676 177.499 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -58.12 -45.0 88.05 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.041 -0.527 . . . . 1.48 110.639 176.78 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.43 HD22 ' HA ' ' A' ' 65' ' ' ASN . 3.6 m120 -67.93 -37.65 81.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.298 -0.41 . . . . 1.35 111.082 178.594 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -63.01 -46.96 85.18 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.012 0.434 . . . . 0.46 110.434 177.09 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 41.5 tp -65.21 -36.87 85.51 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.944 -0.571 . . . . 0.57 110.669 178.416 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -59.3 -31.67 69.35 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.424 -0.353 . . . . 1.8 111.189 175.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 51.7 tptt . . . . . 0 C--N 1.325 -0.499 0 CA-C-O 121.595 0.712 . . . . 2.67 109.66 176.711 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 6.8 t80 . . . . . 0 C--O 1.234 0.241 0 CA-C-O 120.87 0.367 . . . . 1.57 110.017 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -70.87 -34.76 71.94 Favored 'General case' 0 CA--C 1.518 -0.254 0 CA-C-N 116.128 -0.487 . . . . 1.92 110.269 178.319 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -65.42 -44.58 86.92 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.913 -0.585 . . . . 3.57 109.785 177.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.41 ' O ' ' HG2' ' A' ' 89' ' ' GLU . 55.5 ttp180 -63.33 -38.17 90.13 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.991 -0.549 . . . . 3.59 110.501 -177.529 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 24.3 ttmm -71.07 -35.61 71.95 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.265 0.555 . . . . 2.26 110.247 177.456 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.432 ' O ' ' HB2' ' A' ' 90' ' ' HIS . 42.3 tt0 -70.1 -45.09 67.66 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.386 -0.824 . . . . 2.94 111.633 -178.488 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -64.46 -30.25 71.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.634 -0.257 . . . . 2.99 111.416 -175.698 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.41 ' HG2' ' O ' ' A' ' 85' ' ' ARG . 22.4 mm-40 -62.43 -37.74 87.0 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.983 -0.377 . . . . 1.83 109.983 175.033 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . 0.432 ' HB2' ' O ' ' A' ' 87' ' ' GLU . 15.4 m-70 -61.38 -44.69 96.72 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.194 -0.457 . . . . 0.58 110.13 175.483 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 8.7 m -62.05 -38.84 90.28 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.779 -0.646 . . . . 0.79 111.015 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 66.8 tp -69.9 -49.46 51.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.53 110.65 -177.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 96.3 mt -63.87 -33.81 76.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.69 111.208 -176.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -69.02 -45.69 69.87 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.781 -0.368 . . . . 0.82 110.642 -179.562 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 76.3 tttt -59.52 -49.62 77.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.469 -0.332 . . . . 2.25 111.838 177.348 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 87.4 mt -59.36 -44.27 92.71 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.512 -0.313 . . . . 0.4 110.723 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 58.4 m -59.47 -45.56 91.3 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.693 0.282 . . . . 0.44 111.004 175.409 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -63.35 -47.22 83.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.15 -0.477 . . . . 2.53 111.166 -178.105 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.478 ' NE2' HD11 ' A' ' 32' ' ' LEU . 29.7 tt0 -62.18 -41.61 98.48 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.749 -0.659 . . . . 2.3 111.176 -176.801 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 72.2 mt -71.84 -41.77 67.73 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.39 -0.368 . . . . 0.38 110.961 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 24.1 tm0? -61.58 -44.4 97.08 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.461 -0.336 . . . . 2.34 110.2 -179.33 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -65.89 -42.16 95.08 Favored Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.572 -0.823 . . . . 0.46 111.997 177.426 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.454 ' O ' HG13 ' A' ' 107' ' ' ILE . 65.8 tp -65.73 -45.6 82.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.542 0.211 . . . . 0.66 111.214 -179.429 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -55.91 -47.37 77.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.243 -0.435 . . . . 0.45 111.258 -177.343 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 84.6 t -65.18 -35.52 75.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.989 0.423 . . . . 0.68 110.587 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 84.7 m -64.22 -42.11 96.73 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.718 -0.673 . . . . 0.68 111.091 178.382 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.454 HG13 ' O ' ' A' ' 103' ' ' LEU . 71.3 mt -70.81 -40.92 77.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.83 111.263 -177.62 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 35.2 p -83.17 -10.62 58.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.157 0.503 . . . . 1.19 110.822 -176.601 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 25.6 mmm180 . . . . . 0 C--O 1.232 0.134 0 CA-C-N 115.085 -0.962 . . . . 5.77 111.307 178.513 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 . . . . . 0 C--O 1.232 0.18 0 N-CA-C 111.628 0.233 . . . . 2.19 111.628 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 16.8 Cg_exo -64.86 -39.67 24.56 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.791 2.327 . . . . 1.45 111.249 177.343 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 57.4 mt -60.75 -35.7 77.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.081 -0.963 . . . . 0.85 110.939 -178.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 9.9 tt0 -65.87 -39.31 90.57 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 116.627 -0.26 . . . . 2.75 110.992 179.689 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.89 -46.22 75.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.821 0.343 . . . . 0.71 110.778 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 57.0 tp -61.42 -37.21 82.69 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.887 -0.597 . . . . 1.09 111.065 174.744 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 30.3 ttm180 -59.53 -32.91 70.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.376 -0.375 . . . . 3.33 111.054 -179.562 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 20.1 mmm180 -59.16 -42.26 90.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.133 0.492 . . . . 3.76 110.039 174.305 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.659 ' HG3' HD21 ' A' ' 63' ' ' ASN . 32.0 tpt180 -70.92 -36.82 72.82 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.689 -0.687 . . . . 4.04 110.743 176.835 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 -64.13 -39.07 93.24 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-O 120.979 0.419 . . . . 1.34 110.58 175.447 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.531 ' O ' ' HG3' ' A' ' 26' ' ' GLN . 65.2 tt0 -62.1 -31.57 72.04 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.885 -0.598 . . . . 2.79 110.221 176.455 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -69.96 -38.22 76.04 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.585 -0.734 . . . . 2.14 109.154 179.422 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.449 ' O ' HG23 ' A' ' 28' ' ' VAL . 81.8 mt -68.99 -39.64 79.26 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.822 -0.626 . . . . 0.68 110.248 176.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.6 mmmp? -57.19 -46.77 82.55 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-N 116.528 -0.306 . . . . 1.9 110.803 178.456 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.531 ' HG3' ' O ' ' A' ' 22' ' ' GLN . 26.1 mt-30 -59.53 -38.84 82.06 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.081 -0.508 . . . . 2.6 110.647 -179.606 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 -73.28 -35.62 66.2 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.058 -0.519 . . . . 1.37 111.412 -177.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.449 HG23 ' O ' ' A' ' 24' ' ' LEU . 70.2 t -68.92 -46.69 78.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-O 120.935 0.397 . . . . 0.4 110.132 -179.68 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -61.06 -36.05 78.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.961 -0.563 . . . . 1.21 110.359 177.018 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 66.6 m -64.82 -37.72 88.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.36 -0.382 . . . . 1.3 110.614 176.237 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.482 HD11 HG23 ' A' ' 49' ' ' ILE . 36.1 tp -64.22 -44.38 92.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 1.14 110.278 -179.749 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 96.0 mt -61.69 -38.39 87.66 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.038 -0.528 . . . . 0.67 110.472 177.398 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.589 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 50.9 m -65.14 -35.2 80.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.917 -0.583 . . . . 1.29 110.973 179.592 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -74.93 -39.92 61.11 Favored 'General case' 0 CA--C 1.52 -0.182 0 CA-C-O 121.037 0.446 . . . . 1.86 109.966 179.542 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 26.7 t -65.32 -11.14 38.82 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.749 -0.66 . . . . 1.33 110.962 179.341 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 25.7 tp60 -104.0 -11.13 17.58 Favored 'General case' 0 N--CA 1.449 -0.513 0 N-CA-C 109.595 -0.52 . . . . 2.91 109.595 -175.21 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.589 ' HG ' ' O ' ' A' ' 33' ' ' SER . 94.9 mt -76.32 135.77 39.57 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.669 -0.696 . . . . 0.95 110.629 -177.608 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 58.0 mttp -72.26 -29.86 64.31 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.408 -0.815 . . . . 3.61 110.444 179.618 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -70.36 -27.67 64.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.831 -0.622 . . . . 3.24 110.188 175.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -90.71 0.7 57.33 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.714 -0.676 . . . . 1.2 111.025 -177.755 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 29.4 tp -86.53 25.1 1.28 Allowed 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.801 0.81 . . . . 2.76 109.969 179.249 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -87.12 153.41 54.18 Favored Pre-proline 0 C--N 1.324 -0.522 0 CA-C-N 115.227 -0.897 . . . . 3.43 109.812 177.411 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_endo -54.48 -50.37 13.67 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.313 2.009 . . . . 1.63 113.913 -171.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 17.2 m120 -73.79 -30.94 63.03 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-O 120.59 0.233 . . . . 1.75 111.52 -171.62 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.453 ' O ' HG13 ' A' ' 49' ' ' ILE . 58.3 tptt -61.82 -32.24 72.54 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.669 -0.241 . . . . 1.99 110.561 178.683 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 83.5 mtm180 -59.47 -40.09 85.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.447 -0.342 . . . . 3.72 110.515 177.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -66.36 -38.38 87.46 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-O 121.036 0.446 . . . . 2.64 110.282 178.018 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 4.7 t60 -69.6 -38.26 77.21 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.737 -0.665 . . . . 1.02 110.228 -178.473 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.482 HG23 HD11 ' A' ' 31' ' ' LEU . 74.4 mt -66.35 -46.04 87.99 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.445 -0.343 . . . . 0.61 110.4 178.712 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 81.2 t80 -54.57 -41.47 69.89 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.4 -0.364 . . . . 0.46 110.927 176.001 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 55.7 tp60 -69.64 -40.33 76.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.869 0.366 . . . . 1.48 110.457 178.568 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.47 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 27.2 tpt180 -63.48 -31.79 73.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.228 -0.442 . . . . 3.69 110.09 178.461 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.448 ' SG ' ' HB2' ' A' ' 104' ' ' ALA . 42.8 t -66.59 -45.54 78.9 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.629 -0.714 . . . . 0.54 109.919 178.109 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 57.9 mt -59.85 -41.33 85.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.971 -0.559 . . . . 0.44 111.06 178.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -61.81 -51.03 69.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.465 -0.334 . . . . 2.54 111.222 -179.668 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.47 ' HG ' ' O ' ' A' ' 52' ' ' ARG . 68.2 mt -60.6 -37.89 82.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 0.4 111.558 177.424 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 39.7 ttpt -64.25 -38.6 91.62 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.015 0.436 . . . . 1.78 110.097 179.295 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 24.6 tp60 -63.94 -39.49 94.28 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.728 -0.669 . . . . 2.41 110.297 176.029 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.78 -39.67 93.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.289 -0.414 . . . . 0.26 111.213 178.538 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.451 HG13 ' O ' ' A' ' 56' ' ' LEU . 75.9 mt -64.25 -43.6 97.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.997 0.427 . . . . 0.36 110.348 177.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -64.51 -36.09 83.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.784 -0.644 . . . . 0.64 110.132 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -62.39 -45.9 91.05 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.843 -0.617 . . . . 2.28 110.292 176.461 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . 0.659 HD21 ' HG3' ' A' ' 20' ' ' ARG . 6.6 m-20 -63.74 -39.22 93.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.915 -0.584 . . . . 1.07 110.376 176.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 83.4 tttt -59.57 -41.24 89.72 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.93 -0.577 . . . . 1.48 110.3 178.138 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 9.7 m120 -66.89 -46.23 75.54 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.324 -0.398 . . . . 1.35 110.879 176.035 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -61.17 -39.11 88.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.107 -0.497 . . . . 0.46 110.842 179.663 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 50.6 tp -69.12 -40.77 78.1 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.894 -0.594 . . . . 0.57 111.069 179.18 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -60.2 -33.26 71.99 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.089 0.471 . . . . 1.8 110.827 176.541 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 25.8 tptp . . . . . 0 C--N 1.325 -0.496 0 CA-C-O 121.356 0.598 . . . . 2.67 110.414 179.405 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 31.9 t80 . . . . . 0 N--CA 1.464 0.228 0 CA-C-O 120.947 0.404 . . . . 1.57 109.948 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -67.34 -46.37 73.61 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.919 -0.582 . . . . 1.92 110.799 -176.214 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 26.9 mm-40 -70.72 -40.73 72.63 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.251 -0.431 . . . . 3.57 111.107 -179.74 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 24.3 tpp180 -63.1 -36.52 83.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.185 -0.462 . . . . 3.59 110.178 -179.445 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 36.0 ttmt -63.98 -38.69 92.0 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.797 -0.638 . . . . 2.26 110.747 177.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 44.4 mm-40 -71.89 -38.54 69.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 2.94 110.801 -179.707 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -59.61 -38.56 81.6 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.042 0.449 . . . . 2.99 110.286 176.712 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -65.86 -37.19 85.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.668 -0.696 . . . . 1.83 109.458 178.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 9.0 m-70 -63.83 -42.74 97.56 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 115.886 -0.597 . . . . 0.58 110.337 175.105 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 22.5 m -63.12 -34.95 78.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.79 111.558 -177.507 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.472 ' O ' ' HG ' ' A' ' 96' ' ' LEU . 65.2 tp -69.25 -51.42 37.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.824 0.345 . . . . 0.53 110.354 -179.178 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 95.3 mt -66.52 -32.88 74.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.109 -0.496 . . . . 0.69 110.787 -179.086 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -64.95 -44.98 87.65 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.972 -0.558 . . . . 0.82 111.113 -178.449 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 61.4 tttp -66.98 -39.9 87.3 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.644 0.259 . . . . 2.25 110.797 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.472 ' HG ' ' O ' ' A' ' 92' ' ' LEU . 86.5 mt -58.49 -40.95 84.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.403 -0.362 . . . . 0.4 110.288 176.003 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 31.1 m -58.98 -46.22 88.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.379 -0.373 . . . . 0.44 110.813 175.266 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -61.41 -47.09 87.37 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 116.167 -0.47 . . . . 2.53 111.255 -177.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -65.43 -46.02 81.57 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.797 -0.638 . . . . 2.3 111.443 -176.176 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 59.6 mt -64.71 -45.88 84.71 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.739 0.304 . . . . 0.38 110.655 -179.331 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 21.6 tm0? -62.63 -38.64 91.03 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.84 -0.618 . . . . 2.34 110.356 179.558 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -68.01 -45.61 71.63 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.925 -0.655 . . . . 0.46 111.936 178.154 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.44 ' O ' HG13 ' A' ' 107' ' ' ILE . 61.3 tp -65.27 -40.55 94.07 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.681 0.277 . . . . 0.66 110.73 -179.367 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.448 ' HB2' ' SG ' ' A' ' 53' ' ' CYS . . . -55.26 -43.26 74.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.071 -0.513 . . . . 0.45 110.94 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 84.7 t -67.35 -36.15 75.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 115.805 -0.634 . . . . 0.68 110.926 179.482 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 26.3 m -64.95 -39.34 93.35 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.004 0.43 . . . . 0.68 110.963 178.58 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.44 HG13 ' O ' ' A' ' 103' ' ' LEU . 67.5 mt -70.28 -40.3 77.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 0.83 111.198 -178.351 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 8.3 p -83.86 -17.52 40.6 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.174 -0.466 . . . . 1.19 110.669 -177.494 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 43.8 mtp180 . . . . . 0 C--O 1.237 0.419 0 CA-C-N 115.304 -0.862 . . . . 5.77 112.368 176.33 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.96 0 N-CA-C 111.724 -0.55 . . . . 15.85 111.724 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 89.7 Cg_endo -86.43 26.78 0.61 Allowed 'Trans proline' 0 N--CA 1.461 -0.398 0 C-N-CA 122.969 2.446 . . . . 16.1 112.923 -178.527 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 88.1 mtp -127.8 30.76 5.24 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.23 0.538 . . . . 14.03 110.166 178.55 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -81.79 52.81 2.01 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.845 -0.616 . . . . 12.6 111.192 -177.495 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 25.7 ptt? -155.67 44.73 0.46 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.407 0.622 . . . . 12.35 110.131 179.138 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 74.5 mt -75.93 113.96 14.02 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.613 -0.722 . . . . 9.95 110.396 -178.6 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -83.18 -16.07 48.06 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.309 -0.405 . . . . 8.65 111.08 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 31.9 tpt180 -65.84 -66.32 0.56 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.988 -0.551 . . . . 9.34 110.969 -179.645 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 64.1 mtp180 56.05 57.52 5.03 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-O 121.349 0.595 . . . . 8.86 110.922 179.347 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 27.6 tt0 -84.01 79.14 9.6 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.436 -0.802 . . . . 6.88 110.343 -179.147 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 31.5 ttp180 -80.29 -59.0 2.87 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.681 -0.69 . . . . 6.91 111.022 -179.496 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.446 ' HA ' ' HD3' ' A' ' 13' ' ' PRO . 68.3 m-20 -64.81 128.08 93.26 Favored Pre-proline 0 C--N 1.324 -0.529 0 CA-C-N 115.364 -0.834 . . . . 2.19 111.361 -172.312 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.446 ' HD3' ' HA ' ' A' ' 12' ' ' ASP . 38.2 Cg_exo -56.53 -28.69 75.25 Favored 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 123.314 2.676 . . . . 1.45 111.81 177.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 73.2 mt -57.55 -41.7 81.51 Favored 'General case' 0 C--O 1.225 -0.204 0 CA-C-N 115.929 -0.578 . . . . 0.85 110.853 178.022 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 7.7 tp-100 -68.46 -44.96 73.7 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.638 0.256 . . . . 2.75 110.814 -178.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.13 -45.18 94.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.194 0.521 . . . . 0.71 110.683 177.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 42.7 tp -65.99 -42.27 90.02 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.514 -0.766 . . . . 1.09 110.998 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 67.2 mtt180 -59.3 -37.47 77.8 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 120.497 0.189 . . . . 3.33 111.109 179.124 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 57.6 ttp180 -59.26 -46.0 89.69 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.224 0.535 . . . . 3.76 109.86 176.245 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 67.1 ttt180 -68.67 -38.97 80.8 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.606 -0.725 . . . . 4.04 111.156 177.691 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 90.0 m-20 -62.71 -39.44 94.04 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 120.643 0.258 . . . . 1.34 110.911 178.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.436 ' O ' ' HG3' ' A' ' 26' ' ' GLN . 47.6 tp60 -64.01 -32.88 74.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.163 0.506 . . . . 2.79 109.865 177.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -71.96 -38.46 69.75 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.553 -0.749 . . . . 2.14 109.787 179.534 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.402 ' O ' HG23 ' A' ' 28' ' ' VAL . 82.7 mt -62.3 -43.5 98.69 Favored 'General case' 0 CA--C 1.518 -0.285 0 CA-C-N 116.102 -0.499 . . . . 0.68 110.075 175.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 55.7 tttm -59.02 -42.74 90.87 Favored 'General case' 0 N--CA 1.455 -0.181 0 CA-C-N 116.381 -0.372 . . . . 1.9 110.697 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.436 ' HG3' ' O ' ' A' ' 22' ' ' GLN . 79.6 mt-30 -61.37 -35.35 77.23 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.936 0.398 . . . . 2.6 110.682 179.513 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 -72.17 -34.66 68.62 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.055 -0.52 . . . . 1.37 110.566 178.101 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.402 HG23 ' O ' ' A' ' 24' ' ' LEU . 69.4 t -68.05 -46.1 82.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-O 120.884 0.373 . . . . 0.4 110.051 178.232 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 41.7 m-20 -58.68 -35.77 73.12 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.034 -0.53 . . . . 1.21 110.331 176.261 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 13.5 t -69.62 -37.53 76.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.721 -0.672 . . . . 1.3 110.439 178.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.41 HD11 HG23 ' A' ' 49' ' ' ILE . 62.3 tp -65.87 -44.94 83.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.013 0.435 . . . . 1.14 109.924 178.2 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.499 ' HA ' ' OG ' ' A' ' 35' ' ' SER . 95.5 mt -60.39 -32.71 71.58 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.602 -0.726 . . . . 0.67 110.626 175.822 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.592 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 32.5 t -61.89 -32.66 73.05 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.309 -0.405 . . . . 1.29 110.461 176.601 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 36.9 mm-40 -73.24 -46.71 48.56 Favored 'General case' 0 C--O 1.227 -0.126 0 N-CA-C 109.886 -0.412 . . . . 1.86 109.886 176.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.499 ' OG ' ' HA ' ' A' ' 32' ' ' LEU . 26.7 p -65.35 -8.72 19.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.07 -0.514 . . . . 1.33 111.605 179.764 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 22.0 tp60 -100.26 -8.79 23.08 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.225 0.536 . . . . 2.91 109.674 -175.755 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.592 ' HG ' ' O ' ' A' ' 33' ' ' SER . 84.3 mt -83.44 143.28 30.37 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.708 -0.678 . . . . 0.95 110.445 -177.372 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 37.5 mtmm -71.89 -28.88 63.8 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.985 -0.552 . . . . 3.61 110.607 176.613 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -68.28 -18.52 64.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.338 0.589 . . . . 3.24 110.182 176.55 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.412 ' HA ' ' HG2' ' A' ' 45' ' ' LYS . . . -77.08 0.02 22.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.111 -0.495 . . . . 1.2 111.146 179.508 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 44.9 tp -71.59 -14.26 62.02 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.883 -0.599 . . . . 2.76 110.064 174.582 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -57.13 126.08 72.48 Favored Pre-proline 0 C--O 1.233 0.232 0 CA-C-N 115.776 -0.647 . . . . 3.43 110.004 175.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -51.66 -39.62 65.91 Favored 'Trans proline' 0 C--N 1.352 0.721 0 C-N-CA 123.269 2.646 . . . . 1.63 113.093 -178.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -68.43 -38.56 81.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.564 0.221 . . . . 1.75 111.417 -178.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.412 ' HG2' ' HA ' ' A' ' 40' ' ' ALA . 4.3 tppp? -62.24 -31.12 71.63 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.503 -0.317 . . . . 1.99 110.967 -177.51 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 24.1 mmm180 -57.89 -42.61 84.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.716 0.293 . . . . 3.72 110.533 -179.155 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -70.11 -33.72 72.21 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.098 0.475 . . . . 2.64 110.417 179.408 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 47.3 t60 -69.69 -38.82 77.15 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.725 -0.67 . . . . 1.02 110.358 -179.223 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.41 HG23 HD11 ' A' ' 31' ' ' LEU . 79.8 mt -67.78 -42.66 86.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 N-CA-C 109.593 -0.521 . . . . 0.61 109.593 175.831 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.44 ' CE2' ' HB2' ' A' ' 108' ' ' SER . 38.5 t80 -54.46 -41.15 69.15 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 115.471 -0.786 . . . . 0.46 111.124 176.565 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 51.6 tt0 -67.36 -45.94 74.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.819 0.342 . . . . 1.48 110.742 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.437 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 95.2 mtt180 -61.41 -34.23 75.03 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.221 -0.445 . . . . 3.69 110.911 178.524 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.478 ' SG ' ' HB2' ' A' ' 104' ' ' ALA . 48.6 t -67.78 -45.31 75.18 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.619 -0.719 . . . . 0.54 110.027 -177.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 63.9 mt -61.59 -40.79 87.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.01 -0.541 . . . . 0.44 111.029 178.657 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -61.82 -50.71 71.2 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.294 -0.412 . . . . 2.54 111.274 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.437 ' HG ' ' O ' ' A' ' 52' ' ' ARG . 73.1 mt -62.17 -40.42 95.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.62 -0.264 . . . . 0.4 111.592 177.618 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 65.8 tttp -62.32 -39.68 93.85 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.013 0.435 . . . . 1.78 110.168 179.562 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 55.7 tp60 -64.19 -37.27 86.87 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.821 -0.627 . . . . 2.41 110.55 176.062 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -68.92 -43.5 75.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.26 111.052 -179.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.424 HG13 ' O ' ' A' ' 56' ' ' LEU . 70.8 mt -65.04 -41.72 92.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.866 0.365 . . . . 0.36 110.642 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -63.95 -36.5 84.15 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.226 -0.443 . . . . 0.64 110.039 178.753 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -62.27 -45.29 93.95 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.506 -0.77 . . . . 2.28 110.396 176.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -64.86 -38.44 91.0 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.291 -0.413 . . . . 1.07 110.623 176.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -62.11 -39.22 91.8 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.982 -0.554 . . . . 1.48 110.027 177.342 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 10.8 m120 -67.14 -42.5 84.31 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.21 -0.45 . . . . 1.35 110.553 176.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -62.38 -45.77 91.64 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.969 -0.56 . . . . 0.46 110.462 177.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 49.4 tp -60.81 -40.02 91.15 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.829 -0.623 . . . . 0.57 111.092 179.758 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -68.15 -33.12 73.89 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.462 -0.335 . . . . 1.8 111.098 178.011 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 55.6 tptt -77.66 -29.74 51.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.939 0.4 . . . . 2.67 110.401 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -87.81 52.52 2.5 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.513 0.673 . . . . 2.13 110.467 177.368 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 49.7 m -122.31 64.95 0.94 Allowed 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.439 -0.801 . . . . 3.1 109.019 175.374 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 45.5 pttt -75.57 77.62 2.58 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.464 -0.789 . . . . 6.17 111.606 -175.638 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -74.82 -21.48 59.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.488 . . . . 4.6 111.101 178.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 28.8 m-20 -71.0 -22.29 62.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.181 0.515 . . . . 6.87 110.0 177.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -97.39 148.76 22.85 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.821 -0.627 . . . . 6.68 109.389 176.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 3.2 p -79.26 66.1 4.61 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.003 0.43 . . . . 5.08 110.837 179.263 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.486 ' H ' ' CD ' ' A' ' 78' ' ' PRO . . . -119.42 -46.82 0.04 OUTLIER Pre-proline 0 CA--C 1.538 0.487 0 CA-C-N 116.03 -0.532 . . . . 4.62 112.423 -179.064 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.486 ' CD ' ' H ' ' A' ' 77' ' ' ALA . 38.0 Cg_exo -63.1 95.6 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 C-N-CA 122.118 1.879 . . . . 3.94 112.513 178.738 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 47.3 t -116.31 105.02 17.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.344 -0.389 . . . . 3.47 110.85 178.352 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . 48.28 -91.27 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 113.51 0.93 . . . . 2.32 113.51 172.589 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -61.15 -25.23 66.86 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 120.794 0.331 . . . . 2.86 111.211 -177.113 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 31.3 t80 -61.69 -47.08 86.92 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.155 -0.475 . . . . 1.57 109.785 177.502 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.431 ' OD1' ' HB3' ' A' ' 78' ' ' PRO . 91.2 m-20 -72.74 -30.06 63.86 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.233 -0.44 . . . . 1.92 110.886 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 60.0 tp60 -65.46 -50.47 65.24 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.848 -0.615 . . . . 3.57 110.485 177.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -63.48 -36.74 84.77 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.3 -0.409 . . . . 3.59 110.472 179.722 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 20.3 ttmm -61.12 -41.96 97.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.791 -0.64 . . . . 2.26 110.909 178.278 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.43 ' O ' ' HB2' ' A' ' 90' ' ' HIS . 5.0 tp10 -72.5 -42.16 65.14 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.437 -0.347 . . . . 2.94 111.045 -179.448 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -63.62 -31.17 72.26 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.464 -0.334 . . . . 2.99 110.888 179.321 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 23.1 tp10 -66.6 -36.24 82.15 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.688 -0.486 . . . . 1.83 109.688 178.243 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . 0.43 ' HB2' ' O ' ' A' ' 87' ' ' GLU . 9.2 m-70 -58.57 -41.04 84.78 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 115.885 -0.598 . . . . 0.58 110.287 174.157 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 20.0 m -62.51 -43.19 99.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.933 -0.576 . . . . 0.79 111.564 -177.203 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 57.7 tp -70.16 -50.92 35.51 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 116.439 -0.346 . . . . 0.53 110.788 -177.477 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 97.5 mt -63.37 -33.59 75.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.052 -0.522 . . . . 0.69 110.928 -177.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -68.03 -45.18 74.68 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.431 -0.349 . . . . 0.82 110.794 -177.56 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 40.4 ttpt -60.67 -43.99 97.0 Favored 'General case' 0 CA--C 1.519 -0.215 0 C-N-CA 121.069 -0.252 . . . . 2.25 110.702 178.02 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 92.8 mt -59.53 -40.63 87.82 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.222 -0.444 . . . . 0.4 110.513 176.424 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 28.2 m -58.17 -48.52 80.04 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.675 0.274 . . . . 0.44 110.945 174.646 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . 0.415 ' HA ' ' OE1' ' A' ' 98' ' ' GLN . 13.0 mm-40 -68.56 -35.41 77.37 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.323 -0.398 . . . . 2.53 111.139 -178.474 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -59.23 -47.28 85.92 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.069 -0.514 . . . . 2.3 110.137 178.048 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.429 ' HB3' ' SG ' ' A' ' 53' ' ' CYS . 87.9 mt -71.11 -45.19 64.13 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.686 -0.688 . . . . 0.38 110.834 179.546 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 22.7 tm0? -60.86 -44.47 96.98 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.135 -0.484 . . . . 2.34 110.717 -176.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -64.8 -43.58 95.97 Favored Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 120.705 -0.76 . . . . 0.46 111.756 178.491 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.41 ' O ' HG13 ' A' ' 107' ' ' ILE . 58.0 tp -65.61 -44.18 87.34 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.596 0.236 . . . . 0.66 110.605 179.594 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.478 ' HB2' ' SG ' ' A' ' 53' ' ' CYS . . . -58.13 -46.93 84.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.474 . . . . 0.45 111.353 -177.701 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 68.9 t -65.18 -40.31 88.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 120.949 0.404 . . . . 0.68 110.539 179.215 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 89.9 m -61.06 -41.61 96.94 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.93 -0.577 . . . . 0.68 110.96 179.069 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.446 ' HA ' ' OE1' ' A' ' 110' ' ' GLU . 72.6 mt -74.09 -37.34 46.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 121.231 0.539 . . . . 0.83 110.668 178.715 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . 0.44 ' HB2' ' CE2' ' A' ' 50' ' ' TYR . 21.7 t -65.84 -23.34 66.65 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.059 -0.519 . . . . 1.19 110.721 -178.079 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . 0.435 ' HA ' ' HD2' ' A' ' 109' ' ' ARG . 26.2 tpt180 -95.27 16.07 17.62 Favored 'General case' 0 N--CA 1.452 -0.325 0 CA-C-O 121.445 0.64 . . . . 5.77 110.411 178.711 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.446 ' OE1' ' HA ' ' A' ' 107' ' ' ILE . 45.0 mt-10 -94.7 -2.23 51.57 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.499 0.666 . . . . 6.0 109.345 172.216 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 16.1 m120 -104.79 54.05 0.72 Allowed 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.276 -0.875 . . . . 6.62 110.025 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 27.6 mt -83.66 60.43 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 121.682 0.753 . . . . 8.37 110.036 -178.639 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 15.3 p -95.13 -60.37 1.69 Allowed 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.498 -0.774 . . . . 9.67 109.974 178.025 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -74.49 115.05 13.6 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 115.466 -0.788 . . . . 11.2 110.089 178.318 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 15.8 m -106.24 28.31 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-O 121.42 0.628 . . . . 12.46 110.645 178.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -153.65 -169.9 19.14 Favored Glycine 0 N--CA 1.446 -0.67 0 CA-C-N 115.299 -0.864 . . . . 13.58 111.532 179.395 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -123.94 82.73 55.55 Favored Pre-proline 0 C--N 1.324 -0.532 0 CA-C-O 120.606 0.241 . . . . 16.1 110.813 -179.483 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 97.1 Cg_endo -80.57 155.35 21.21 Favored 'Trans proline' 0 N--CA 1.458 -0.571 0 C-N-CA 122.143 1.896 . . . . 18.52 111.849 179.359 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 12.6 p . . . . . 0 C--O 1.253 1.242 0 CA-C-O 118.478 -0.773 . . . . 20.01 110.709 178.442 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.756 0 N-CA-C 111.369 -0.693 . . . . 15.85 111.369 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_endo -53.74 -31.81 62.87 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 123.262 2.642 . . . . 16.1 112.634 -177.347 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 24.4 ptt? -131.17 28.26 4.76 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.062 0.458 . . . . 14.03 110.206 178.302 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -151.18 102.09 2.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.871 -0.604 . . . . 12.6 111.393 -177.203 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 13.1 tpt -82.63 90.47 6.82 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.054 -0.521 . . . . 12.35 110.04 175.247 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 41.4 tp -134.29 81.44 1.91 Allowed 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.062 0.458 . . . . 9.95 109.998 178.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -83.37 102.63 12.15 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.995 -0.548 . . . . 8.65 110.802 -178.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 31.5 mmm180 -111.95 152.92 27.51 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.91 -0.586 . . . . 9.34 109.662 179.595 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 42.9 ttp180 -83.97 54.38 2.9 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.531 0.681 . . . . 8.86 110.167 -178.49 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -152.33 63.59 0.82 Allowed 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.977 0.894 . . . . 6.88 109.068 178.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 13.0 ptm180 -140.0 -38.06 0.47 Allowed 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 114.477 -1.238 . . . . 6.91 109.763 -179.045 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 -133.52 71.75 75.25 Favored Pre-proline 0 C--N 1.325 -0.468 0 CA-C-N 115.484 -0.78 . . . . 2.19 109.495 177.585 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -58.41 -38.49 90.08 Favored 'Trans proline' 0 C--N 1.349 0.581 0 C-N-CA 122.835 2.357 . . . . 1.45 112.402 -178.148 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.481 ' O ' ' HB2' ' A' ' 18' ' ' ARG . 66.0 mt -67.23 -32.8 74.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.43 -0.35 . . . . 0.85 110.074 -179.492 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -74.5 -41.64 60.32 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.245 -0.434 . . . . 2.75 111.129 178.5 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.78 -45.73 88.45 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.845 0.355 . . . . 0.71 110.32 176.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 53.8 tp -65.94 -35.06 79.58 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.94 -0.573 . . . . 1.09 110.756 177.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.481 ' HB2' ' O ' ' A' ' 14' ' ' LEU . 57.4 ttt180 -57.19 -36.24 70.59 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.362 -0.381 . . . . 3.33 110.737 -178.52 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 41.9 ttp180 -64.09 -44.48 92.22 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.071 0.462 . . . . 3.76 110.189 176.658 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 73.0 ttt180 -70.17 -35.32 73.91 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.715 -0.675 . . . . 4.04 110.615 179.391 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 92.7 m-20 -63.71 -41.66 98.07 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 120.848 0.356 . . . . 1.34 110.334 175.779 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -64.27 -32.43 74.02 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.098 -0.501 . . . . 2.79 110.444 178.441 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 17.3 tp10 -62.58 -45.64 92.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.244 0.545 . . . . 2.14 110.044 176.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 84.7 mt -67.27 -41.93 84.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.798 -0.637 . . . . 0.68 110.487 178.028 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 28.3 ttpp -60.45 -38.97 85.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.815 -0.629 . . . . 1.9 111.163 -177.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 56.2 tt0 -61.39 -45.0 96.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.376 0.607 . . . . 2.6 110.341 178.569 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 -61.91 -42.79 99.5 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.141 -0.936 . . . . 1.37 110.815 178.507 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 75.6 t -57.51 -49.11 81.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.099 -0.5 . . . . 0.4 111.438 176.401 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -63.49 -38.95 93.09 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 120.596 0.236 . . . . 1.21 111.238 -179.082 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 29.6 t -63.31 -35.87 81.8 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.099 0.476 . . . . 1.3 110.389 178.653 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.507 HD11 HG23 ' A' ' 49' ' ' ILE . 38.2 tp -70.33 -45.6 65.85 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.031 -0.531 . . . . 1.14 110.133 -179.71 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 94.4 mt -60.6 -34.6 74.45 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.491 -0.777 . . . . 0.67 111.118 178.442 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 32.3 t -67.89 -46.73 70.8 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.354 -0.384 . . . . 1.29 110.432 179.341 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -66.64 -27.79 67.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.907 0.384 . . . . 1.86 111.001 179.063 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 32.4 t -62.14 -23.98 66.89 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.876 -0.602 . . . . 1.33 111.874 179.2 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 58.3 tp60 -89.41 -17.25 29.14 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.022 0.439 . . . . 2.91 110.588 -177.116 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 93.9 mt -66.5 130.0 41.73 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.835 -0.621 . . . . 0.95 110.716 -176.396 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 22.1 pttp -67.94 -28.15 67.23 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.854 -0.612 . . . . 3.61 110.595 179.764 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -67.7 -20.17 65.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 3.24 110.901 175.541 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -86.46 0.8 53.41 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.147 -0.479 . . . . 1.2 111.404 -177.731 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 61.5 tp -68.15 -15.78 63.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.114 -0.494 . . . . 2.76 110.654 178.1 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.465 ' OE1' ' HD2' ' A' ' 43' ' ' PRO . 16.6 tp10 -51.06 121.09 15.1 Favored Pre-proline 0 C--N 1.331 -0.228 0 CA-C-N 115.754 -0.657 . . . . 3.43 110.168 174.551 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.465 ' HD2' ' OE1' ' A' ' 42' ' ' GLU . 76.9 Cg_exo -51.32 -32.95 43.65 Favored 'Trans proline' 0 C--N 1.35 0.627 0 C-N-CA 123.193 2.595 . . . . 1.63 113.45 -178.791 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 -72.68 -33.29 66.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.178 0.513 . . . . 1.75 110.137 178.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 22.5 tptm -76.35 -36.12 58.37 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.87 -0.604 . . . . 1.99 109.804 177.15 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.428 ' HG3' ' O ' ' A' ' 42' ' ' GLU . 19.7 mtm180 -61.77 -42.6 99.19 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.478 -0.328 . . . . 3.72 110.331 177.397 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 -65.69 -35.61 81.25 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.92 0.391 . . . . 2.64 110.629 175.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.432 ' O ' ' HG2' ' A' ' 52' ' ' ARG . 17.5 t60 -66.23 -40.26 90.13 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.891 -0.595 . . . . 1.02 109.716 178.409 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.507 HG23 HD11 ' A' ' 31' ' ' LEU . 79.1 mt -67.02 -44.02 88.62 Favored 'Isoleucine or valine' 0 C--O 1.233 0.224 0 CA-C-N 116.03 -0.532 . . . . 0.61 110.381 176.79 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 59.5 t80 -58.87 -41.1 86.25 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.175 -0.466 . . . . 0.46 110.491 177.696 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 49.5 tp60 -67.76 -38.83 83.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.074 -0.512 . . . . 1.48 110.458 -179.736 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.531 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 28.4 mmt180 -62.99 -40.23 97.12 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.391 -0.368 . . . . 3.69 110.447 177.005 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.668 ' SG ' ' HB3' ' A' ' 100' ' ' LEU . 46.4 t -57.83 -40.42 79.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.483 -0.326 . . . . 0.54 111.054 175.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 64.5 mt -71.04 -40.06 75.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 121.416 0.627 . . . . 0.44 110.039 179.099 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 49.8 tt0 -60.99 -46.87 88.99 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.249 -0.887 . . . . 2.54 111.159 178.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.531 ' HG ' ' O ' ' A' ' 52' ' ' ARG . 77.2 mt -70.4 -34.87 73.05 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.403 -0.362 . . . . 0.4 110.49 -177.839 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 23.1 ttmm -57.3 -38.63 74.28 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.062 0.458 . . . . 1.78 110.248 177.599 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 -72.0 -39.59 69.13 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.702 -0.681 . . . . 2.41 110.344 179.603 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.71 -42.14 91.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.57 -0.741 . . . . 0.26 111.232 179.224 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.419 HG13 ' O ' ' A' ' 56' ' ' LEU . 86.7 mt -65.47 -41.21 90.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 121.067 0.461 . . . . 0.36 110.119 178.129 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -59.72 -36.59 76.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.656 -0.702 . . . . 0.64 110.341 177.075 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -62.25 -45.86 91.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.74 -0.664 . . . . 2.28 110.551 179.611 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -63.61 -43.5 96.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.347 -0.388 . . . . 1.07 110.522 177.524 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -55.85 -41.27 74.08 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.752 -0.658 . . . . 1.48 110.82 176.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -69.77 -41.96 74.47 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.192 -0.458 . . . . 1.35 110.979 178.26 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.13 -45.93 89.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.033 0.444 . . . . 0.46 110.517 177.643 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 46.0 tp -63.1 -29.19 70.61 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.399 -0.819 . . . . 0.57 111.135 178.608 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -76.24 -23.5 54.52 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.049 -0.523 . . . . 1.8 109.905 -177.611 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 62.0 tttm -90.93 -28.27 18.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.064 -0.516 . . . . 2.67 109.865 176.304 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 95.7 mt -82.37 43.08 0.79 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.355 0.597 . . . . 2.13 110.31 175.592 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 45.8 t -142.68 119.63 11.31 Favored 'General case' 0 N--CA 1.444 -0.768 0 CA-C-N 115.565 -0.743 . . . . 3.1 109.454 -178.187 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 20.5 pttm -117.13 63.45 0.73 Allowed 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.246 0.546 . . . . 6.17 110.015 176.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -66.49 -26.49 67.2 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.751 -0.659 . . . . 4.6 111.473 -177.404 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -71.91 -15.91 62.1 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.998 0.428 . . . . 6.87 110.481 179.059 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -85.51 143.9 28.26 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.001 -0.545 . . . . 6.68 110.01 177.764 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 14.4 m -80.1 63.35 4.57 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.07 0.462 . . . . 5.08 110.919 -178.544 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -89.38 117.01 67.8 Favored Pre-proline 0 C--N 1.323 -0.557 0 CA-C-N 115.971 -0.559 . . . . 4.62 110.133 178.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -76.49 56.85 5.26 Favored 'Trans proline' 0 CA--C 1.53 0.288 0 C-N-CA 122.644 2.23 . . . . 3.94 112.585 -178.067 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 3.6 m -133.08 74.25 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 121.458 0.647 . . . . 3.47 110.409 179.218 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.58 -36.12 81.7 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.473 -0.785 . . . . 2.32 112.268 -175.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -69.14 -31.06 69.47 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.756 0.312 . . . . 2.86 110.219 -178.448 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 26.4 t80 -61.7 -41.45 97.6 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.508 -0.553 . . . . 1.57 109.508 175.237 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 92.7 m-20 -70.93 -35.71 72.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.985 -0.552 . . . . 1.92 110.971 -178.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . 0.41 ' HA ' ' OE1' ' A' ' 84' ' ' GLN . 6.9 tp60 -70.65 -50.21 39.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.143 -0.48 . . . . 3.57 110.972 179.812 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.467 ' O ' ' HG2' ' A' ' 89' ' ' GLU . 41.3 ttt180 -64.68 -28.32 69.53 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.877 0.37 . . . . 3.59 110.465 -179.446 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 29.5 ttmt -56.81 -40.68 76.43 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.971 -0.558 . . . . 2.26 110.358 179.621 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.407 ' O ' ' HB2' ' A' ' 90' ' ' HIS . 25.9 mm-40 -72.09 -33.39 67.84 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.599 -0.728 . . . . 2.94 110.676 178.566 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -65.63 -38.09 88.4 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.266 -0.425 . . . . 2.99 110.691 176.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.467 ' HG2' ' O ' ' A' ' 85' ' ' ARG . 5.4 mm-40 -65.54 -36.13 82.89 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.828 -0.434 . . . . 1.83 109.828 176.206 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . 0.407 ' HB2' ' O ' ' A' ' 87' ' ' GLU . 8.0 m-70 -58.29 -45.18 88.42 Favored 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 109.625 -0.509 . . . . 0.58 109.625 171.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 30.1 m -62.31 -42.69 99.58 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 115.244 -0.889 . . . . 0.79 111.104 -177.556 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 66.7 tp -57.15 -50.35 73.1 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 116.671 -0.241 . . . . 0.53 111.636 177.553 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 95.1 mt -64.28 -38.22 90.28 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.397 0.618 . . . . 0.69 110.438 -179.162 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -67.57 -28.16 67.54 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.375 -0.829 . . . . 0.82 110.523 177.391 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 63.1 tttp -75.59 -41.84 53.5 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.08 -0.711 . . . . 2.25 109.08 -175.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 81.8 mt -65.65 -35.26 80.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.284 -0.871 . . . . 0.4 109.993 178.626 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 62.4 m -67.39 -38.94 85.48 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 115.832 -0.622 . . . . 0.44 109.721 179.052 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 61.3 tt0 -62.09 -43.58 98.53 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.698 -0.683 . . . . 2.53 111.052 179.347 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 12.4 mm100 -61.46 -41.04 96.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.387 -0.369 . . . . 2.3 110.906 -179.621 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.668 ' HB3' ' SG ' ' A' ' 53' ' ' CYS . 92.9 mt -71.35 -35.47 71.17 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.049 -0.523 . . . . 0.38 110.674 178.327 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 22.5 tm0? -64.91 -31.89 73.34 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.507 -0.769 . . . . 2.34 110.759 -178.248 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -73.18 -39.86 51.59 Favored Glycine 0 N--CA 1.449 -0.498 0 N-CA-C 110.429 -1.068 . . . . 0.46 110.429 -178.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.418 ' O ' HG13 ' A' ' 107' ' ' ILE . 60.7 tp -70.73 -44.2 67.34 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 114.807 -0.697 . . . . 0.66 110.786 179.154 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.498 ' HB2' ' SG ' ' A' ' 53' ' ' CYS . . . -55.25 -46.1 76.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.017 -0.538 . . . . 0.45 111.705 -176.076 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 88.1 t -65.39 -39.33 84.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-O 121.057 0.456 . . . . 0.68 110.719 179.367 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 91.4 m -65.39 -34.88 79.34 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.04 -0.527 . . . . 0.68 111.275 179.585 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.418 HG13 ' O ' ' A' ' 103' ' ' LEU . 66.3 mt -79.65 -27.86 12.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.786 0.327 . . . . 0.83 111.528 179.698 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 9.4 p -86.5 -20.28 28.28 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.377 0.608 . . . . 1.19 109.83 -174.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 26.3 ttm180 -109.62 92.19 3.95 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.5 -0.773 . . . . 5.77 109.226 173.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -78.5 54.95 1.53 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.903 -0.59 . . . . 6.0 111.418 -176.39 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -127.23 42.93 3.23 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.715 -0.675 . . . . 6.62 109.42 179.062 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 68.0 mt -63.9 112.45 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.543 -0.753 . . . . 8.37 110.823 -174.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 64.6 p 55.49 21.21 4.2 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 123.965 0.906 . . . . 9.67 112.076 -177.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -100.99 127.47 47.47 Favored 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 109.738 -0.467 . . . . 11.2 109.738 178.01 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.471 ' HA ' ' HG3' ' A' ' 118' ' ' PRO . 6.0 m -104.39 47.41 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-N 115.905 -0.589 . . . . 12.46 111.872 -173.648 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -86.31 74.04 2.43 Favored Glycine 0 N--CA 1.45 -0.381 0 N-CA-C 111.288 -0.725 . . . . 13.58 111.288 175.226 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.408 ' N ' ' HD3' ' A' ' 118' ' ' PRO . . . 51.89 61.56 12.15 Favored Pre-proline 0 CA--C 1.534 0.363 0 C-N-CA 123.106 0.562 . . . . 16.1 112.262 -177.141 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . 0.471 ' HG3' ' HA ' ' A' ' 115' ' ' VAL . 96.8 Cg_endo -92.48 108.12 0.22 Allowed 'Trans proline' 0 N--CA 1.453 -0.901 0 C-N-CA 122.439 2.093 . . . . 18.52 111.885 175.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 24.4 m . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.523 -0.751 . . . . 20.01 109.975 -179.754 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.69 0 N-CA-C 111.881 -0.487 . . . . 15.85 111.881 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 66.9 Cg_endo -75.19 153.38 40.83 Favored 'Trans proline' 0 N--CA 1.461 -0.402 0 C-N-CA 122.566 2.177 . . . . 16.1 111.981 178.602 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 51.9 ttm -97.0 117.64 31.62 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.457 -0.338 . . . . 14.03 110.461 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -82.79 101.08 10.7 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.128 -0.487 . . . . 12.6 110.558 178.735 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 53.3 ttm -133.48 82.1 1.97 Allowed 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.143 0.497 . . . . 12.35 110.221 179.126 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 55.4 mt -83.49 82.21 8.39 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.816 -0.629 . . . . 9.95 109.795 178.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -82.6 54.43 2.64 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.044 -0.525 . . . . 8.65 111.876 -174.696 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 75.1 mtt180 55.33 71.79 0.52 Allowed 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 115.735 -0.666 . . . . 9.34 111.943 174.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 85.3 mtm180 -100.49 138.13 37.97 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.24 -0.437 . . . . 8.86 110.118 177.115 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 8.8 tp-100 -134.42 131.02 37.68 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.031 -0.531 . . . . 6.88 110.399 -178.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 61.7 ttt180 -105.78 133.83 49.88 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 116.264 -0.425 . . . . 6.91 110.037 175.576 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -125.69 90.33 50.71 Favored Pre-proline 0 C--N 1.321 -0.647 0 CA-C-N 116.264 -0.425 . . . . 2.19 110.45 178.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_exo -60.63 -29.45 88.47 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.526 2.151 . . . . 1.45 111.589 178.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 95.9 mt -63.27 -37.54 87.66 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.885 -0.598 . . . . 0.85 110.539 176.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -67.38 -42.51 83.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 2.75 110.557 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.13 -44.32 80.18 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.093 0.473 . . . . 0.71 110.601 177.269 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.458 HD21 ' HB2' ' A' ' 67' ' ' LEU . 53.8 tp -63.28 -39.53 94.83 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.721 -0.672 . . . . 1.09 111.647 179.807 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 26.6 ttm180 -59.09 -33.14 70.47 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 120.795 0.331 . . . . 3.33 110.797 178.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 71.8 ttt180 -66.91 -44.38 80.89 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.865 -0.42 . . . . 3.76 109.865 174.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.503 ' HG3' HD21 ' A' ' 63' ' ' ASN . 30.2 tpt180 -64.84 -36.98 86.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.951 -0.568 . . . . 4.04 110.221 179.08 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 -65.59 -37.87 87.89 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.34 -0.391 . . . . 1.34 110.674 175.369 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 48.4 tt0 -66.46 -30.16 70.44 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.433 -0.349 . . . . 2.79 110.37 178.454 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.452 ' O ' ' HG3' ' A' ' 27' ' ' GLN . 43.4 mt-10 -65.64 -46.15 80.33 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.243 -0.651 . . . . 2.14 109.243 178.025 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.423 ' O ' HG23 ' A' ' 28' ' ' VAL . 65.0 mt -66.7 -35.42 80.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.559 -0.746 . . . . 0.68 110.318 178.065 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -58.21 -42.9 87.22 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.211 -0.449 . . . . 1.9 110.09 177.662 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -67.86 -34.96 77.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.045 -0.525 . . . . 2.6 110.587 179.364 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.452 ' HG3' ' O ' ' A' ' 23' ' ' GLU . 28.2 mt-30 -68.7 -34.72 76.14 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.885 -0.598 . . . . 1.37 110.17 -179.451 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.423 HG23 ' O ' ' A' ' 24' ' ' LEU . 77.7 t -68.97 -46.11 79.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 115.948 -0.569 . . . . 0.4 110.283 176.733 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -59.91 -38.66 82.92 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 116.324 -0.398 . . . . 1.21 110.522 177.425 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 22.9 t -62.85 -43.55 98.49 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.174 -0.466 . . . . 1.3 109.992 177.757 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.406 HD22 HD12 ' A' ' 56' ' ' LEU . 61.8 tp -58.75 -48.49 81.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.864 0.364 . . . . 1.14 110.26 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 96.7 mt -60.73 -33.56 73.1 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.603 -0.726 . . . . 0.67 111.03 -179.626 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 23.1 m -67.55 -41.59 84.01 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.266 -0.425 . . . . 1.29 110.93 179.111 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -77.16 -26.13 52.69 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.058 0.456 . . . . 1.86 111.254 -178.586 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 53.7 m -71.56 -12.74 61.52 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 112.335 0.494 . . . . 1.33 112.335 -174.008 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.504 ' HA ' ' OE1' ' A' ' 36' ' ' GLN . 11.7 mm-40 -104.63 8.91 35.37 Favored 'General case' 0 C--N 1.327 -0.377 0 O-C-N 122.078 -0.389 . . . . 2.91 110.96 -177.323 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 91.2 mt -76.33 141.31 41.61 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.398 -0.364 . . . . 0.95 110.394 -179.734 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -71.73 -30.69 65.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 3.61 110.239 177.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -70.43 -17.68 63.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.992 -0.549 . . . . 3.24 110.727 177.612 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.555 ' HB1' HD11 ' A' ' 49' ' ' ILE . . . -79.17 -0.17 30.78 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.168 -0.469 . . . . 1.2 110.823 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 43.2 tp -75.0 -15.31 60.66 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.922 -0.581 . . . . 2.76 110.453 177.049 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 30.0 mm-40 -63.33 138.69 97.42 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.205 -0.452 . . . . 3.43 110.674 -179.139 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 10.5 Cg_endo -52.67 -48.75 20.34 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.359 2.039 . . . . 1.63 113.436 -171.767 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 56.3 m-80 -72.75 -44.81 61.16 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.625 0.25 . . . . 1.75 110.848 -176.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 69.9 tttt -64.97 -31.84 73.27 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.786 0.327 . . . . 1.99 110.848 -179.51 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 26.8 ttm180 -61.64 -40.08 93.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.127 0.489 . . . . 3.72 110.023 175.368 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.488 ' HA ' HE21 ' A' ' 47' ' ' GLN . 0.0 OUTLIER -68.78 -31.0 69.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.93 -0.577 . . . . 2.64 110.631 177.098 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 46.7 t60 -61.1 -34.65 75.27 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.312 -0.403 . . . . 1.02 110.418 179.16 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.555 HD11 ' HB1' ' A' ' 40' ' ' ALA . 78.5 mt -64.76 -49.73 78.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.985 0.422 . . . . 0.61 110.116 175.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 44.1 t80 -54.63 -40.27 68.79 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 115.821 -0.627 . . . . 0.46 110.852 174.539 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 40.9 tp60 -64.42 -41.57 96.53 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.277 -0.42 . . . . 1.48 110.447 178.534 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.629 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 75.2 mtt180 -60.75 -40.43 92.46 Favored 'General case' 0 CA--C 1.516 -0.335 0 CA-C-N 116.223 -0.444 . . . . 3.69 110.581 176.849 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.655 ' SG ' ' HB2' ' A' ' 104' ' ' ALA . 45.8 t -64.3 -44.25 92.18 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.513 -0.767 . . . . 0.54 110.512 -175.097 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 69.1 mt -58.37 -43.56 86.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.165 -0.47 . . . . 0.44 111.161 178.245 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -64.01 -49.49 72.21 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.18 -0.464 . . . . 2.54 111.266 -179.317 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.629 ' HG ' ' O ' ' A' ' 52' ' ' ARG . 43.9 mt -61.02 -36.82 80.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.341 -0.39 . . . . 0.4 111.645 179.321 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 60.9 tttp -62.27 -46.61 88.01 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.121 0.486 . . . . 1.78 110.15 179.215 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 8.3 tp-100 -61.3 -37.35 82.91 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.581 -0.736 . . . . 2.41 110.895 177.642 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.16 -40.54 94.48 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.266 -0.425 . . . . 0.26 111.473 179.156 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 74.9 mt -63.45 -40.74 90.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 121.096 0.474 . . . . 0.36 110.11 177.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -62.58 -36.38 82.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.732 -0.667 . . . . 0.64 110.153 178.687 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -61.37 -45.42 94.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.851 -0.613 . . . . 2.28 110.444 178.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.503 HD21 ' HG3' ' A' ' 20' ' ' ARG . 5.9 m-20 -66.58 -42.24 87.29 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.03 -0.532 . . . . 1.07 110.529 178.281 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -58.53 -42.32 87.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 1.48 110.579 177.342 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 95.5 m-20 -66.08 -36.86 84.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.106 -0.497 . . . . 1.35 110.939 179.378 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -64.39 -46.39 83.52 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.115 0.483 . . . . 0.46 110.448 177.58 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.458 ' HB2' HD21 ' A' ' 17' ' ' LEU . 32.7 tp -67.63 -43.44 80.39 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.73 -0.668 . . . . 0.57 111.093 -179.016 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 27.8 tt0 -64.66 -22.05 66.88 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.003 0.43 . . . . 1.8 111.261 178.046 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 64.2 tttp -79.68 -22.84 42.94 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.329 0.585 . . . . 2.67 109.875 176.269 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 52.3 tp -88.31 158.25 18.5 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.369 -0.832 . . . . 2.13 110.596 -178.764 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 12.9 t 69.04 61.5 0.32 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.25 0.547 . . . . 3.1 110.494 176.372 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 55.7 pttt -60.96 139.97 57.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.645 -0.707 . . . . 6.17 109.945 176.003 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.04 -20.93 60.48 Favored 'General case' 0 C--O 1.232 0.182 0 N-CA-C 113.267 0.84 . . . . 4.6 113.267 -170.365 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -84.35 -24.11 29.88 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.824 0.345 . . . . 6.87 110.977 -179.539 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -140.37 95.85 2.94 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.004 0.43 . . . . 6.68 110.214 -177.084 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.489 ' O ' ' HD3' ' A' ' 78' ' ' PRO . 70.8 m -149.53 110.87 4.43 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.72 -0.673 . . . . 5.08 109.376 176.35 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -73.69 108.83 5.38 Favored Pre-proline 0 C--N 1.327 -0.385 0 O-C-N 123.414 0.447 . . . . 4.62 111.48 -176.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.489 ' HD3' ' O ' ' A' ' 76' ' ' SER . 97.9 Cg_endo -94.33 58.22 0.3 Allowed 'Trans proline' 0 N--CA 1.45 -1.045 0 C-N-CA 122.995 2.463 . . . . 3.94 111.717 178.135 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 60.0 t -67.53 -73.56 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.042 -0.526 . . . . 3.47 111.081 -176.515 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -149.25 -84.45 0.1 Allowed 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 121.02 -0.272 . . . . 2.32 111.504 178.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 10.0 p30 -76.96 -15.17 59.74 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 121.253 -0.179 . . . . 2.86 111.187 -175.125 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 11.8 t80 -57.13 -38.41 73.44 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.836 0.35 . . . . 1.57 110.129 178.123 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.456 ' OD1' ' HA ' ' A' ' 78' ' ' PRO . 77.7 m-20 -69.76 -46.43 65.84 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.163 -0.471 . . . . 1.92 110.729 -178.19 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . 0.546 ' O ' ' HG2' ' A' ' 88' ' ' GLU . 57.6 tp60 -71.37 -43.73 66.37 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.994 -0.548 . . . . 3.57 111.106 -175.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 9.8 ttm180 -62.59 -33.98 76.08 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.128 0.489 . . . . 3.59 109.996 -175.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 29.0 ttmt -64.08 -41.5 97.29 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.612 -0.722 . . . . 2.26 110.435 177.689 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -72.35 -34.82 68.29 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.198 -0.456 . . . . 2.94 110.722 178.089 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.546 ' HG2' ' O ' ' A' ' 84' ' ' GLN . 23.0 mm-40 -57.38 -42.26 81.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.088 -0.505 . . . . 2.99 111.017 -178.273 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -65.47 -40.01 92.63 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.349 -0.387 . . . . 1.83 110.339 179.163 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 33.5 m-70 -60.94 -45.59 94.09 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 120.847 0.356 . . . . 0.58 110.285 176.133 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 21.4 m -64.48 -37.85 88.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.997 -0.547 . . . . 0.79 111.192 -178.687 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.415 ' O ' ' HG ' ' A' ' 96' ' ' LEU . 53.0 tp -70.02 -51.67 30.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.344 -0.389 . . . . 0.53 110.828 -178.415 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 99.2 mt -63.76 -33.4 75.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.258 -0.428 . . . . 0.69 111.071 -176.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.467 ' O ' ' HG3' ' A' ' 98' ' ' GLN . 18.5 t70 -68.97 -45.09 71.56 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.473 -0.331 . . . . 0.82 110.806 -178.155 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.419 ' O ' ' HG3' ' A' ' 99' ' ' GLN . 26.7 tptp -63.73 -40.78 97.58 Favored 'General case' 0 C--N 1.334 -0.089 0 CA-C-O 120.771 0.32 . . . . 2.25 110.468 179.66 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.415 ' HG ' ' O ' ' A' ' 92' ' ' LEU . 94.7 mt -59.47 -41.58 90.09 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.134 -0.485 . . . . 0.4 110.472 175.6 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 37.0 m -58.59 -40.57 83.56 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.425 -0.352 . . . . 0.44 110.786 174.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . 0.467 ' HG3' ' O ' ' A' ' 94' ' ' ASP . 74.6 mt-30 -62.25 -43.08 99.65 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.322 -0.399 . . . . 2.53 110.765 178.772 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.419 ' HG3' ' O ' ' A' ' 95' ' ' LYS . 78.1 mt-30 -61.84 -49.15 77.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.914 -0.584 . . . . 2.3 111.093 -178.764 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.452 ' HB3' ' SG ' ' A' ' 53' ' ' CYS . 76.7 mt -69.37 -47.9 62.87 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.897 -0.592 . . . . 0.38 111.06 -174.252 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 56.5 tp60 -62.39 -41.3 98.54 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.187 -0.46 . . . . 2.34 110.229 -178.305 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -63.79 -42.95 98.36 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.937 -0.649 . . . . 0.46 111.962 177.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.4 ' O ' HG13 ' A' ' 107' ' ' ILE . 61.3 tp -69.21 -44.83 71.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.542 0.21 . . . . 0.66 110.942 -179.515 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.655 ' HB2' ' SG ' ' A' ' 53' ' ' CYS . . . -55.66 -46.34 77.52 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.005 0.431 . . . . 0.45 111.323 -177.401 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 83.7 t -66.47 -38.04 80.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.787 -0.642 . . . . 0.68 110.984 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 38.5 m -64.33 -32.8 74.55 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.956 0.407 . . . . 0.68 111.113 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.4 HG13 ' O ' ' A' ' 103' ' ' LEU . 76.0 mt -79.14 -42.71 23.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 116.415 -0.357 . . . . 0.83 111.215 -179.36 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 11.2 p -81.7 -27.54 33.9 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.381 -0.372 . . . . 1.19 111.872 -173.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 95.8 mtt180 -93.38 150.55 20.38 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.978 -0.289 . . . . 5.77 110.32 177.257 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 25.8 mm-40 63.35 32.62 14.52 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.478 -0.783 . . . . 6.0 110.147 -177.142 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 4.2 t30 -116.66 57.32 0.78 Allowed 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.667 -0.864 . . . . 6.62 108.667 179.029 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 27.2 mt -85.43 82.1 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 115.391 -0.822 . . . . 8.37 111.008 -173.655 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 11.4 p -97.6 -67.52 0.84 Allowed 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.754 -0.657 . . . . 9.67 109.68 173.078 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -122.5 10.29 9.77 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.698 -0.683 . . . . 11.2 109.412 172.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 17.6 t -85.74 81.65 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.267 -0.879 . . . . 12.46 110.057 -177.626 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 149.29 -142.64 10.0 Favored Glycine 0 N--CA 1.445 -0.752 0 CA-C-N 115.706 -0.679 . . . . 13.58 111.416 -178.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -147.76 117.17 4.26 Favored Pre-proline 0 C--N 1.322 -0.591 0 CA-C-O 120.681 0.277 . . . . 16.1 110.284 178.039 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_endo -84.5 28.82 0.56 Allowed 'Trans proline' 0 N--CA 1.461 -0.43 0 C-N-CA 122.754 2.303 . . . . 18.52 112.422 179.212 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 3.5 t . . . . . 0 C--O 1.248 1.001 0 CA-C-N 115.843 -0.617 . . . . 20.01 110.168 -179.624 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.781 0 N-CA-C 111.942 -0.463 . . . . 15.85 111.942 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 44.8 Cg_endo -69.11 -24.31 32.81 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.625 2.216 . . . . 16.1 112.694 -178.687 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 63.2 mtm -83.46 -61.43 1.84 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.122 0.487 . . . . 14.03 109.852 179.366 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -142.43 150.02 40.05 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.782 -0.644 . . . . 12.6 110.158 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 19.5 mmt -102.02 106.88 17.84 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.328 -0.396 . . . . 12.35 110.335 178.227 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -81.12 91.18 6.09 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.063 -0.517 . . . . 9.95 110.559 -179.171 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.62 107.63 5.21 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.93 -0.577 . . . . 8.65 110.871 179.215 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 39.5 ttm180 -151.91 102.25 2.81 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.267 -0.424 . . . . 9.34 110.678 -178.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 80.8 mtp180 -96.79 163.14 13.12 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.931 -0.577 . . . . 8.86 110.623 178.032 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 91.4 mt-30 53.92 42.97 31.51 Favored 'General case' 0 C--N 1.331 -0.235 0 O-C-N 123.799 0.687 . . . . 6.88 110.905 -177.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 54.5 ttp180 -75.05 93.24 2.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.767 -0.651 . . . . 6.91 109.784 179.071 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.8 t0 57.57 76.88 0.44 Allowed Pre-proline 0 N--CA 1.466 0.331 0 CA-C-N 115.356 -0.838 . . . . 2.19 110.312 -175.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_exo -61.16 -29.37 86.84 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.632 2.221 . . . . 1.45 111.977 -179.471 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 74.7 mt -62.47 -45.35 93.45 Favored 'General case' 0 C--O 1.223 -0.293 0 CA-C-N 116.113 -0.494 . . . . 0.85 110.448 179.561 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.529 ' O ' ' HG2' ' A' ' 19' ' ' ARG . 7.8 tt0 -60.13 -46.44 89.63 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.517 -0.31 . . . . 2.75 110.864 178.394 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.78 -45.97 87.35 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.895 0.379 . . . . 0.71 110.931 -178.776 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 28.2 tp -65.49 -36.37 83.66 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.043 -0.526 . . . . 1.09 110.458 177.403 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 49.0 ttp180 -61.08 -33.78 73.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.163 -0.471 . . . . 3.33 110.43 177.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.529 ' HG2' ' O ' ' A' ' 15' ' ' GLN . 27.8 mmm180 -63.7 -39.97 95.64 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.899 -0.408 . . . . 3.76 109.899 176.22 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.441 ' HG2' HD21 ' A' ' 63' ' ' ASN . 78.4 ttt180 -67.92 -41.12 83.12 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 115.696 -0.684 . . . . 4.04 110.561 177.164 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -65.99 -40.46 91.2 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 116.402 -0.363 . . . . 1.34 111.093 177.231 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 49.2 tt0 -62.18 -31.84 72.4 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 121.086 0.47 . . . . 2.79 110.464 178.693 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -66.44 -47.52 72.92 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.635 -0.711 . . . . 2.14 109.529 -179.555 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.488 ' O ' HG23 ' A' ' 28' ' ' VAL . 78.8 mt -66.67 -38.01 85.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.89 -0.595 . . . . 0.68 110.665 176.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -58.27 -44.85 88.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.416 -0.357 . . . . 1.9 110.406 179.496 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.446 ' HA ' ' OE1' ' A' ' 26' ' ' GLN . 6.8 tp60 -65.12 -34.23 77.91 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-O 121.139 0.495 . . . . 2.6 110.311 179.186 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -69.64 -33.52 72.73 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.935 -0.575 . . . . 1.37 110.406 178.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.488 HG23 ' O ' ' A' ' 24' ' ' LEU . 90.8 t -68.02 -45.52 83.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 N-CA-C 110.004 -0.369 . . . . 0.4 110.004 177.552 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -58.5 -36.64 74.11 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 121.074 0.464 . . . . 1.21 110.481 175.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 41.2 m -69.0 -39.08 79.55 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.837 -0.62 . . . . 1.3 110.855 179.589 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -63.67 -48.58 76.61 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 109.258 -0.645 . . . . 1.14 109.258 178.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 92.2 mt -60.39 -35.57 76.05 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.702 -0.681 . . . . 0.67 111.013 178.692 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 32.1 t -61.72 -41.92 98.26 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.285 -0.416 . . . . 1.29 110.439 179.412 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -76.34 -34.19 58.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.202 0.525 . . . . 1.86 110.226 -179.464 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 33.1 t -71.59 -11.13 60.7 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.556 -0.747 . . . . 1.33 110.877 179.815 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -97.22 -10.01 26.64 Favored 'General case' 0 N--CA 1.45 -0.468 0 N-CA-C 109.1 -0.704 . . . . 2.91 109.1 -175.446 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 85.0 mt -72.69 138.3 46.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.435 -0.802 . . . . 0.95 110.063 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 52.7 mttm -71.9 -29.84 64.75 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.636 -0.711 . . . . 3.61 109.962 179.65 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -69.36 -17.71 63.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.489 -0.778 . . . . 3.24 110.571 176.693 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -81.58 -0.1 40.71 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.15 -0.477 . . . . 1.2 111.636 -176.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 39.9 tp -75.43 -11.25 60.0 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.206 0.527 . . . . 2.76 109.822 174.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.406 ' HG3' ' H ' ' A' ' 45' ' ' LYS . 8.8 tp10 -58.95 116.77 16.83 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 115.424 -0.807 . . . . 3.43 109.751 173.549 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_exo -50.57 -30.67 28.9 Favored 'Trans proline' 0 C--N 1.352 0.718 0 C-N-CA 123.272 2.648 . . . . 1.63 113.597 -177.592 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 80.2 m-20 -69.57 -48.41 60.35 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.911 -0.316 . . . . 1.75 110.425 179.424 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.428 ' NZ ' ' HB2' ' A' ' 45' ' ' LYS . 0.0 OUTLIER -69.67 -39.45 77.02 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.071 0.463 . . . . 1.99 110.468 177.614 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 38.6 ttt180 -56.42 -39.04 72.4 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.289 -0.868 . . . . 3.72 110.658 178.32 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 26.4 tp60 -62.89 -41.12 99.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.791 -0.641 . . . . 2.64 110.391 176.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 10.5 t60 -70.12 -37.31 75.29 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.643 -0.708 . . . . 1.02 110.186 -178.624 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 65.8 mt -65.22 -44.59 95.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.302 -0.408 . . . . 0.61 110.626 178.616 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 44.9 t80 -53.91 -40.39 66.64 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.324 -0.398 . . . . 0.46 110.954 175.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.432 ' O ' ' HG2' ' A' ' 55' ' ' GLN . 59.8 tp60 -65.39 -46.39 80.25 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.821 0.343 . . . . 1.48 110.551 179.741 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.499 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 98.9 mtt180 -62.58 -34.97 78.06 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.223 -0.444 . . . . 3.69 111.063 178.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 42.0 t -63.61 -44.65 93.36 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.634 -0.506 . . . . 0.54 109.634 179.047 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 72.2 mt -60.16 -44.33 95.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 115.856 -0.611 . . . . 0.44 111.077 176.412 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.432 ' HG2' ' O ' ' A' ' 51' ' ' GLN . 15.8 mm100 -61.05 -49.9 75.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.436 -0.347 . . . . 2.54 111.117 -178.112 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.499 ' HG ' ' O ' ' A' ' 52' ' ' ARG . 68.8 mt -62.04 -37.94 86.84 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.28 -0.418 . . . . 0.4 111.373 177.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 27.9 ttpp -64.17 -40.19 95.61 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.033 0.444 . . . . 1.78 109.964 -179.498 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 57.5 mt-30 -66.74 -35.11 79.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.97 -0.559 . . . . 2.41 110.93 174.599 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -68.89 -41.96 77.58 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.387 -0.369 . . . . 0.26 111.34 -179.259 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 73.4 mt -66.98 -40.95 86.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 121.181 0.515 . . . . 0.36 109.98 177.354 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -59.9 -37.65 80.01 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.509 -0.769 . . . . 0.64 110.04 176.292 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -61.13 -47.51 85.9 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.496 -0.774 . . . . 2.28 110.454 177.385 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.441 HD21 ' HG2' ' A' ' 20' ' ' ARG . 5.3 m-20 -63.47 -42.44 98.6 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.426 -0.352 . . . . 1.07 110.532 177.337 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 22.2 ttmm -57.66 -47.01 83.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 1.48 110.91 179.089 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 34.5 m-80 -69.47 -36.32 76.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 1.35 111.302 -178.438 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -67.77 -41.94 82.49 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.003 0.43 . . . . 0.46 110.357 177.276 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 61.1 tp -62.95 -46.38 88.03 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.761 -0.654 . . . . 0.57 111.163 179.277 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -65.93 -28.99 69.34 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.905 0.383 . . . . 1.8 111.123 -178.056 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 47.3 tttp -90.05 -10.78 43.54 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.216 -0.447 . . . . 2.67 110.663 -178.747 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 69.9 tp -67.77 -61.6 1.8 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.291 -0.413 . . . . 2.13 110.962 178.752 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 57.5 m -150.34 149.6 30.31 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.551 -0.295 . . . . 3.1 110.467 -179.108 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 51.8 mttp -88.95 108.06 19.36 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.676 -0.49 . . . . 6.17 109.676 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -71.38 -4.85 28.48 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.158 -0.474 . . . . 4.6 112.259 -175.458 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -93.28 -5.7 49.19 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.784 0.326 . . . . 6.87 110.654 177.489 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -125.41 56.28 1.37 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.645 0.736 . . . . 6.68 109.705 -179.063 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 24.9 m -156.37 36.99 0.33 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.704 -0.68 . . . . 5.08 110.671 -177.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.447 ' HB3' ' HD3' ' A' ' 78' ' ' PRO . . . -52.22 -48.89 87.63 Favored Pre-proline 0 CA--C 1.54 0.559 0 N-CA-C 113.459 0.911 . . . . 4.62 113.459 -176.387 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.447 ' HD3' ' HB3' ' A' ' 77' ' ' ALA . 76.5 Cg_exo -52.7 -38.01 76.22 Favored 'Trans proline' 0 C--N 1.358 1.063 0 C-N-CA 122.214 1.942 . . . . 3.94 113.066 178.585 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 16.5 m -101.78 51.91 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 121.618 0.723 . . . . 3.47 110.797 -177.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.537 ' O ' ' HG2' ' A' ' 84' ' ' GLN . . . -56.52 -39.09 72.75 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.152 -0.931 . . . . 2.32 112.036 -178.486 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -60.42 -35.68 76.38 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 120.708 0.289 . . . . 2.86 111.275 179.757 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 41.1 t80 -66.81 -38.29 86.18 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.504 -0.554 . . . . 1.57 109.504 176.421 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 78.4 m-20 -69.71 -27.53 65.06 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.832 -0.622 . . . . 1.92 110.997 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . 0.537 ' HG2' ' O ' ' A' ' 80' ' ' ALA . 13.9 mm100 -68.84 -40.72 79.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.318 -0.401 . . . . 3.57 111.671 -178.087 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.407 HH11 ' HD2' ' A' ' 85' ' ' ARG . 47.2 mtm180 -74.71 -31.38 61.85 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-O 121.29 0.567 . . . . 3.59 109.682 176.114 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.46 ' HA ' ' OE1' ' A' ' 89' ' ' GLU . 17.4 ttmm -65.08 -33.87 77.07 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.323 -0.853 . . . . 2.26 110.234 175.211 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -60.38 -39.71 88.24 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.602 -0.726 . . . . 2.94 109.91 176.266 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 34.2 mm-40 -61.45 -32.17 72.15 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 115.967 -0.561 . . . . 2.99 111.199 178.36 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.46 ' OE1' ' HA ' ' A' ' 86' ' ' LYS . 31.1 mt-10 -61.62 -46.38 90.08 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 109.525 -0.546 . . . . 1.83 109.525 178.341 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 40.2 m-70 -66.71 -44.26 82.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.597 -0.729 . . . . 0.58 110.656 179.451 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 26.0 m -59.08 -44.64 91.9 Favored 'General case' 0 C--N 1.328 -0.334 0 O-C-N 123.402 0.439 . . . . 0.79 111.203 179.532 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.496 ' O ' ' HG ' ' A' ' 96' ' ' LEU . 56.0 tp -68.34 -50.6 52.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 0.53 110.994 -176.146 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 94.8 mt -67.96 -32.26 72.56 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.197 -0.456 . . . . 0.69 111.32 -176.38 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -64.4 -47.25 79.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.674 -0.239 . . . . 0.82 111.538 -175.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 7.9 ttpm? -71.52 -34.96 70.53 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 121.186 -0.206 . . . . 2.25 110.906 -178.615 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.496 ' HG ' ' O ' ' A' ' 92' ' ' LEU . 98.3 mt -59.14 -45.3 91.31 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 110.185 -0.302 . . . . 0.4 110.185 173.695 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 25.0 m -60.13 -45.66 92.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.312 -0.404 . . . . 0.44 110.992 176.068 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 44.1 tt0 -60.62 -44.89 95.8 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-O 120.929 0.395 . . . . 2.53 111.155 179.511 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.559 HE21 ' HA ' ' A' ' 99' ' ' GLN . 0.0 OUTLIER -59.26 -47.67 84.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.797 -0.638 . . . . 2.3 111.211 -178.268 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 74.2 mt -73.72 -44.39 56.51 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.29 -0.414 . . . . 0.38 111.593 -176.552 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 24.9 tm0? -61.27 -44.35 97.38 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 110.13 -0.322 . . . . 2.34 110.13 -177.563 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -65.71 -42.9 95.06 Favored Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 120.581 -0.818 . . . . 0.46 111.966 178.115 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.455 ' O ' HG13 ' A' ' 107' ' ' ILE . 49.8 tp -65.97 -43.69 87.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.491 0.186 . . . . 0.66 110.923 -178.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -56.22 -44.74 79.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.31 -0.404 . . . . 0.45 111.354 -178.126 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 93.8 t -67.9 -38.68 80.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 121.026 0.441 . . . . 0.68 110.497 178.34 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 86.9 m -64.23 -35.71 81.7 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.937 -0.574 . . . . 0.68 111.042 178.632 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.455 HG13 ' O ' ' A' ' 103' ' ' LEU . 84.0 mt -75.46 -42.33 42.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 0.83 111.22 179.823 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 12.7 p -78.58 -14.19 59.45 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.867 0.365 . . . . 1.19 111.432 -174.61 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 88.5 mtt180 -133.06 94.74 3.41 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.099 0.476 . . . . 5.77 110.0 179.645 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -67.3 -32.3 73.19 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.65 -0.705 . . . . 6.0 111.841 -175.448 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 17.1 m120 -122.53 62.17 0.98 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.857 0.36 . . . . 6.62 111.241 -174.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 87.6 mt -63.68 105.09 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.04 -0.527 . . . . 8.37 110.327 177.204 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 19.7 m -94.44 -24.41 17.34 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.097 -0.501 . . . . 9.67 110.647 -177.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 68.09 -75.84 0.06 Allowed 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 115.695 -0.684 . . . . 11.2 111.071 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 21.8 t -91.53 102.28 13.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 120.785 0.326 . . . . 12.46 110.474 -178.405 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 162.08 -105.44 0.26 Allowed Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 121.066 -0.588 . . . . 13.58 111.684 179.427 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -121.94 82.26 43.06 Favored Pre-proline 0 C--N 1.325 -0.499 0 CA-C-O 120.861 0.362 . . . . 16.1 110.55 178.066 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 67.3 Cg_endo -88.77 4.51 5.41 Favored 'Trans proline' 0 N--CA 1.458 -0.569 0 C-N-CA 122.583 2.189 . . . . 18.52 112.347 178.121 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 35.6 p . . . . . 0 C--O 1.246 0.887 0 C-N-CA 123.839 0.855 . . . . 20.01 111.847 -178.565 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.713 0 N-CA-C 111.815 -0.514 . . . . 15.85 111.815 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -67.29 120.53 7.59 Favored 'Trans proline' 0 N--CA 1.464 -0.246 0 C-N-CA 122.6 2.2 . . . . 16.1 112.019 178.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 66.8 mtt -97.23 7.43 46.6 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.268 -0.424 . . . . 14.03 110.93 -178.28 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -108.01 39.01 2.04 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.132 0.491 . . . . 12.6 110.769 178.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 97.3 mmm -97.29 39.57 1.19 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.109 0.481 . . . . 12.35 110.967 -178.075 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.618 HD23 ' H ' ' A' ' 6' ' ' LEU . 2.6 pt? -85.52 16.87 3.52 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.935 -0.575 . . . . 9.95 110.608 179.559 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -82.92 -8.88 59.53 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.906 -0.588 . . . . 8.65 111.364 -178.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 76.3 ttt180 -78.42 80.81 4.8 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.387 0.613 . . . . 9.34 110.106 -179.09 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 35.0 mmt180 -101.58 -8.75 21.58 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.629 -0.714 . . . . 8.86 110.737 -178.239 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 68.9 mm-40 -77.49 63.12 2.58 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.127 0.489 . . . . 6.88 111.033 177.393 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 26.0 mtm180 -80.88 119.62 23.67 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.584 -0.895 . . . . 6.91 108.584 173.755 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 30.3 t70 59.5 76.27 0.45 Allowed Pre-proline 0 C--N 1.327 -0.387 0 O-C-N 123.709 0.631 . . . . 2.19 109.474 -170.305 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -55.02 -27.63 55.8 Favored 'Trans proline' 0 C--N 1.349 0.564 0 C-N-CA 123.234 2.623 . . . . 1.45 112.079 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 79.6 mt -56.52 -42.26 78.11 Favored 'General case' 0 C--O 1.218 -0.582 0 CA-C-N 115.917 -0.583 . . . . 0.85 111.175 -179.733 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 6.6 tp60 -59.74 -48.62 80.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.626 0.251 . . . . 2.75 111.251 -179.65 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.96 -45.61 73.7 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.002 0.429 . . . . 0.71 110.959 -178.454 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 30.5 tp -66.35 -36.94 84.18 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.991 -0.549 . . . . 1.09 110.935 179.515 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.487 ' O ' ' HG3' ' A' ' 22' ' ' GLN . 42.6 ttp180 -59.8 -42.8 94.23 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.545 -0.298 . . . . 3.33 110.526 176.636 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 73.0 ttt180 -58.85 -40.28 83.8 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.155 0.502 . . . . 3.76 109.721 178.005 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -66.21 -42.21 89.06 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.507 -0.77 . . . . 4.04 110.543 176.315 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -61.0 -42.25 98.09 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-O 120.868 0.366 . . . . 1.34 110.679 176.422 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.487 ' HG3' ' O ' ' A' ' 18' ' ' ARG . 97.6 mt-30 -62.29 -31.42 72.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.083 -0.508 . . . . 2.79 110.572 178.506 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -70.21 -43.18 71.2 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.017 -0.538 . . . . 2.14 109.695 178.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 87.3 mt -66.06 -37.28 85.42 Favored 'General case' 0 CA--C 1.52 -0.203 0 CA-C-N 115.921 -0.581 . . . . 0.68 110.444 175.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.429 ' HG2' ' OD2' ' A' ' 29' ' ' ASP . 60.6 tttm -59.36 -40.69 87.25 Favored 'General case' 0 C--O 1.225 -0.215 0 CA-C-N 116.536 -0.302 . . . . 1.9 110.396 177.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.458 ' HG2' ' O ' ' A' ' 22' ' ' GLN . 18.3 mm-40 -60.25 -35.2 74.95 Favored 'General case' 0 C--O 1.231 0.126 0 CA-C-O 121.19 0.519 . . . . 2.6 110.493 177.6 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -71.54 -37.67 71.12 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.857 -0.611 . . . . 1.37 110.044 179.626 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 97.9 t -69.69 -48.74 63.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.85 -0.614 . . . . 0.4 110.382 -179.688 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.429 ' OD2' ' HG2' ' A' ' 25' ' ' LYS . 31.9 m-20 -58.46 -37.13 74.84 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.07 -0.514 . . . . 1.21 110.827 -179.542 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 23.0 t -66.11 -42.21 89.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.395 -0.366 . . . . 1.3 110.275 177.627 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 57.2 tp -66.8 -40.49 88.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.792 0.33 . . . . 1.14 110.509 -176.775 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 89.1 mt -68.27 -44.19 76.11 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.318 -0.401 . . . . 0.67 110.737 -177.272 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 12.5 p -67.21 -31.5 71.93 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.133 -0.485 . . . . 1.29 111.246 -179.24 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -75.44 -29.89 59.82 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 121.326 0.584 . . . . 1.86 109.737 178.434 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 51.8 m -73.66 -10.49 59.75 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.575 -0.739 . . . . 1.33 111.386 178.358 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 99.0 mt-30 -104.04 7.26 36.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.207 0.527 . . . . 2.91 110.07 -175.484 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 78.4 mt -77.85 147.62 35.07 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.456 -0.793 . . . . 0.95 109.831 177.719 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 61.9 tttm -67.71 -30.92 70.54 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.027 0.442 . . . . 3.61 110.149 178.266 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -71.59 -18.59 62.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.212 -0.449 . . . . 3.24 110.56 177.13 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -82.21 -0.42 45.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.056 -0.52 . . . . 1.2 110.955 -178.163 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 56.0 tp -69.39 -15.45 63.31 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.315 0.579 . . . . 2.76 109.659 174.528 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 -66.15 115.65 25.55 Favored Pre-proline 0 C--N 1.327 -0.398 0 CA-C-N 115.074 -0.966 . . . . 3.43 110.18 176.638 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.474 ' O ' ' HG3' ' A' ' 47' ' ' GLN . 11.1 Cg_endo -54.79 -30.93 69.93 Favored 'Trans proline' 0 C--N 1.35 0.656 0 C-N-CA 123.096 2.53 . . . . 1.63 112.853 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -64.14 -43.2 95.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.658 0.266 . . . . 1.75 110.592 179.009 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 4.5 tppp? -72.08 -33.65 68.06 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.952 0.406 . . . . 1.99 110.377 176.69 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.482 ' HG2' HG23 ' A' ' 107' ' ' ILE . 41.9 ttm180 -57.8 -36.22 71.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.795 -0.639 . . . . 3.72 110.898 178.578 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.474 ' HG3' ' O ' ' A' ' 43' ' ' PRO . 69.5 mt-30 -61.56 -40.09 93.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.934 -0.575 . . . . 2.64 110.703 177.097 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 21.0 t60 -64.94 -34.97 79.68 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.632 -0.713 . . . . 1.02 109.851 179.679 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 85.3 mt -67.56 -47.16 81.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.782 -0.645 . . . . 0.61 110.976 -179.588 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.458 ' HB2' HG21 ' A' ' 107' ' ' ILE . 48.3 t80 -54.36 -40.82 68.48 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.417 -0.356 . . . . 0.46 111.431 178.884 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.461 ' O ' ' HG3' ' A' ' 55' ' ' GLN . 54.8 tp60 -62.5 -46.11 89.92 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.392 -0.367 . . . . 1.48 110.67 179.595 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.435 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 23.8 mmt180 -67.46 -31.63 71.92 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.291 -0.413 . . . . 3.69 110.87 -178.619 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 42.5 t -62.69 -44.48 96.13 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.051 -0.522 . . . . 0.54 109.97 178.549 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 66.5 mt -58.53 -45.64 90.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.863 -0.608 . . . . 0.44 111.106 177.26 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.461 ' HG3' ' O ' ' A' ' 51' ' ' GLN . 20.1 mt-30 -61.9 -50.33 72.63 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.109 -0.496 . . . . 2.54 111.045 -177.687 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.435 ' HG ' ' O ' ' A' ' 52' ' ' ARG . 72.9 mt -61.26 -36.94 81.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.4 111.544 178.386 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 21.4 ttmm -57.74 -45.8 85.33 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 109.843 -0.429 . . . . 1.78 109.843 176.315 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 24.0 mt-30 -60.24 -42.39 95.15 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.673 -0.694 . . . . 2.41 110.886 177.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.63 -43.72 88.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.446 . . . . 0.26 111.442 -178.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 81.9 mt -66.7 -43.12 90.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.529 -0.305 . . . . 0.36 110.518 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -59.75 -41.37 90.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.223 0.535 . . . . 0.64 110.198 177.405 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -62.52 -47.37 84.21 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.285 -0.871 . . . . 2.28 110.847 179.612 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -67.02 -39.75 87.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.481 -0.327 . . . . 1.07 110.994 178.465 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 64.5 tttp -57.0 -45.89 82.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.926 0.393 . . . . 1.48 110.489 175.807 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -66.86 -39.35 87.52 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.879 -0.601 . . . . 1.35 110.883 179.154 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -65.46 -39.9 92.57 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.1 -0.5 . . . . 0.46 110.466 178.177 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 60.3 tp -66.86 -44.7 80.29 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.566 -0.743 . . . . 0.57 110.989 179.646 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -59.8 -29.13 68.02 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.123 0.487 . . . . 1.8 111.069 178.017 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 64.1 tttm -75.55 -14.81 60.42 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.804 -0.634 . . . . 2.67 110.535 -178.737 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 70.7 mt -103.71 51.9 0.78 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.986 -0.552 . . . . 2.13 110.434 179.223 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 10.6 t -104.66 155.47 18.83 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 121.083 -0.247 . . . . 3.1 111.055 -175.67 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 66.1 mttm 56.09 30.73 16.85 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 115.83 -0.623 . . . . 6.17 111.177 -179.753 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -80.13 -24.03 40.75 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.0 -0.546 . . . . 4.6 111.947 -175.645 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.459 ' HB2' ' CG ' ' A' ' 82' ' ' TYR . 36.0 t70 -83.66 -24.23 31.44 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.982 0.42 . . . . 6.87 110.559 -178.328 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 66.55 175.91 0.24 Allowed 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 115.258 -0.883 . . . . 6.68 111.685 176.778 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.413 ' OG ' ' HD2' ' A' ' 78' ' ' PRO . 12.6 t 66.45 -173.86 0.19 Allowed 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 115.767 -0.652 . . . . 5.08 111.416 177.194 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.447 ' N ' ' HD2' ' A' ' 78' ' ' PRO . . . -88.95 -50.03 0.4 Allowed Pre-proline 0 CA--C 1.538 0.498 0 N-CA-C 112.627 0.603 . . . . 4.62 112.627 -179.724 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.447 ' HD2' ' N ' ' A' ' 77' ' ' ALA . 53.8 Cg_endo -68.51 80.03 0.61 Allowed 'Trans proline' 0 C--N 1.361 1.211 0 C-N-CA 122.278 1.986 . . . . 3.94 112.622 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 16.2 m -109.78 24.17 3.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 115.625 -0.716 . . . . 3.47 111.103 -179.613 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -54.87 -49.21 71.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.891 -0.595 . . . . 2.32 112.138 -174.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 31.8 m-80 -68.63 -50.24 52.9 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.977 -0.556 . . . . 2.86 111.81 -176.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.459 ' CG ' ' HB2' ' A' ' 74' ' ' ASP . 32.7 t80 -67.55 -42.61 82.37 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.359 -0.382 . . . . 1.57 110.593 -174.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -71.69 -27.49 63.07 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.833 -0.347 . . . . 1.92 111.182 -178.582 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -65.08 -47.85 75.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.745 0.307 . . . . 3.57 110.694 177.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.417 ' O ' ' HG2' ' A' ' 89' ' ' GLU . 43.6 ttm180 -64.06 -40.36 96.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.171 0.51 . . . . 3.59 109.815 178.46 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 19.8 ttmm -62.52 -42.46 99.53 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.632 -0.713 . . . . 2.26 110.571 177.32 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -67.02 -38.16 85.44 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.392 -0.822 . . . . 2.94 110.791 179.498 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -65.05 -39.05 92.74 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.156 -0.474 . . . . 2.99 110.546 -179.476 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.419 ' O ' HD13 ' A' ' 93' ' ' LEU . 27.7 mm-40 -61.58 -44.74 96.45 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 110.047 -0.353 . . . . 1.83 110.047 175.101 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 7.4 m-70 -58.57 -42.58 88.3 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.339 -0.391 . . . . 0.58 110.436 176.422 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 33.4 m -62.93 -42.35 99.78 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.854 -0.612 . . . . 0.79 111.122 -179.565 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.53 ' O ' ' HG ' ' A' ' 96' ' ' LEU . 27.3 tp -70.73 -51.95 24.02 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.297 -0.411 . . . . 0.53 111.143 -178.47 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.419 HD13 ' O ' ' A' ' 89' ' ' GLU . 10.9 mp -61.82 -32.98 73.33 Favored 'General case' 0 CA--C 1.519 -0.215 0 CA-C-N 116.424 -0.353 . . . . 0.69 110.904 -177.584 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -63.89 -46.49 84.65 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.491 -0.322 . . . . 0.82 110.209 176.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.4 ' O ' ' HG3' ' A' ' 99' ' ' GLN . 54.8 tttp -61.35 -44.15 97.66 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.503 -0.317 . . . . 2.25 111.439 175.421 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.53 ' HG ' ' O ' ' A' ' 92' ' ' LEU . 84.4 mt -58.87 -44.87 91.16 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.308 -0.406 . . . . 0.4 110.135 178.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 28.8 m -58.37 -43.19 88.33 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.947 -0.57 . . . . 0.44 110.729 174.739 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -62.35 -46.76 87.21 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.736 0.303 . . . . 2.53 111.3 -179.268 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.4 ' HG3' ' O ' ' A' ' 95' ' ' LYS . 47.0 mt-30 -60.61 -39.78 89.44 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.995 -0.548 . . . . 2.3 110.984 -177.57 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 96.4 mt -74.35 -41.83 60.4 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.227 -0.442 . . . . 0.38 110.979 178.238 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 23.8 tm0? -62.99 -44.33 96.34 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.828 -0.624 . . . . 2.34 110.432 -178.392 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -62.07 -41.1 99.67 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.728 -0.749 . . . . 0.46 111.593 176.317 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 66.8 tp -63.38 -45.93 88.85 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.704 0.288 . . . . 0.66 110.937 178.685 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.88 -46.7 89.56 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.186 -0.461 . . . . 0.45 111.35 -177.292 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 71.0 t -62.03 -38.33 80.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 120.897 0.379 . . . . 0.68 110.79 179.018 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 92.4 m -61.54 -33.09 73.24 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.826 -0.625 . . . . 0.68 110.945 177.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.482 HG23 ' HG2' ' A' ' 46' ' ' ARG . 91.5 mt -79.27 -39.64 21.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.209 -0.451 . . . . 0.83 111.176 178.853 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 21.6 m -71.77 -17.74 62.16 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.122 0.487 . . . . 1.19 110.602 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 56.0 ttp180 -131.23 83.15 2.08 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 115.924 -0.58 . . . . 5.77 109.578 178.216 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -76.73 86.45 3.35 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.731 -0.668 . . . . 6.0 110.548 -177.68 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 94.3 m-20 -75.04 82.48 2.25 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.02 -0.536 . . . . 6.62 111.124 -178.704 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 27.8 mt -85.42 66.95 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 N-CA-C 108.92 -0.77 . . . . 8.37 108.92 175.588 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 37.5 p -87.6 137.94 31.9 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.48 -0.782 . . . . 9.67 111.521 -172.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -160.03 137.96 9.98 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.973 -0.558 . . . . 11.2 110.293 177.491 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 15.5 m -96.42 48.13 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-O 121.489 0.662 . . . . 12.46 110.552 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 86.67 -172.54 44.58 Favored Glycine 0 N--CA 1.446 -0.653 0 CA-C-N 115.342 -0.844 . . . . 13.58 111.715 -177.281 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -139.0 79.47 26.79 Favored Pre-proline 0 C--N 1.321 -0.652 0 N-CA-C 110.277 -0.268 . . . . 16.1 110.277 179.185 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 90.8 Cg_endo -80.35 52.04 4.16 Favored 'Trans proline' 0 N--CA 1.462 -0.33 0 C-N-CA 122.596 2.197 . . . . 18.52 112.279 -179.009 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 1.4 t . . . . . 0 C--O 1.25 1.103 0 CA-C-N 116.026 -0.534 . . . . 20.01 110.551 -178.549 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.784 0 N-CA-C 111.541 -0.624 . . . . 15.85 111.541 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -58.29 119.29 6.46 Favored 'Trans proline' 0 C--O 1.234 0.308 0 C-N-CA 122.627 2.218 . . . . 16.1 111.77 178.615 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . 0.451 ' HA ' ' HB3' ' A' ' 6' ' ' LEU . 72.7 mtm -88.93 67.5 8.2 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.191 -0.459 . . . . 14.03 111.562 -176.573 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -76.58 -53.27 8.27 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.241 0.543 . . . . 12.6 109.542 175.514 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 25.1 ptm -125.94 -1.26 7.2 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.572 -0.74 . . . . 12.35 109.8 175.682 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.451 ' HB3' ' HA ' ' A' ' 3' ' ' MET . 54.0 tp -74.94 109.31 8.29 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.326 -0.852 . . . . 9.95 109.933 179.21 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -88.85 92.5 9.24 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.071 0.462 . . . . 8.65 111.296 -176.6 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 -130.87 46.75 2.62 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.333 0.587 . . . . 9.34 110.482 177.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 89.2 mtm180 -101.18 159.63 15.08 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.57 -0.741 . . . . 8.86 109.419 174.051 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 18.1 tp60 56.04 54.71 7.63 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.309 0.576 . . . . 6.88 109.779 -177.162 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.454 ' C ' ' HD3' ' A' ' 13' ' ' PRO . 77.2 mtm180 -80.07 74.99 6.83 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.699 -0.682 . . . . 6.91 110.522 -177.337 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -126.62 62.0 47.06 Favored Pre-proline 0 C--N 1.323 -0.567 0 CA-C-N 115.554 -0.748 . . . . 2.19 110.996 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.454 ' HD3' ' C ' ' A' ' 11' ' ' ARG . 32.0 Cg_exo -62.07 -28.78 80.47 Favored 'Trans proline' 0 C--N 1.35 0.631 0 C-N-CA 122.302 2.002 . . . . 1.45 111.505 -179.788 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 54.1 mt -57.14 -39.16 74.66 Favored 'General case' 0 C--O 1.221 -0.421 0 CA-C-N 115.534 -0.757 . . . . 0.85 111.228 -179.769 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -67.17 -48.54 67.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.77 0.319 . . . . 2.75 110.603 -177.726 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.1 -44.75 95.98 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.112 -0.494 . . . . 0.71 110.957 178.195 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 23.4 tp -67.19 -40.09 86.46 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.846 -0.615 . . . . 1.09 111.131 179.244 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.46 ' O ' ' HG3' ' A' ' 22' ' ' GLN . 35.3 ttm180 -60.2 -39.67 87.36 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 110.19 -0.3 . . . . 3.33 110.19 174.761 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 48.3 ttp180 -59.13 -43.19 91.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.137 -0.483 . . . . 3.76 110.061 175.743 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 89.2 mtt180 -61.0 -43.44 98.89 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 115.788 -0.642 . . . . 4.04 110.618 174.436 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -64.56 -34.6 78.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.492 -0.322 . . . . 1.34 111.316 178.739 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.46 ' HG3' ' O ' ' A' ' 18' ' ' ARG . 96.0 mt-30 -64.57 -31.5 72.75 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-O 120.924 0.392 . . . . 2.79 110.423 176.662 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.498 ' O ' ' HG3' ' A' ' 27' ' ' GLN . 39.0 tt0 -67.26 -45.71 75.86 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.535 -0.757 . . . . 2.14 109.183 177.648 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.489 ' O ' HG23 ' A' ' 28' ' ' VAL . 73.2 mt -65.52 -36.25 83.27 Favored 'General case' 0 C--O 1.224 -0.265 0 CA-C-N 115.704 -0.68 . . . . 0.68 110.772 175.382 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 37.5 ttmt -57.8 -41.67 82.63 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.97 -0.381 . . . . 1.9 109.97 178.606 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 52.4 tp60 -68.44 -34.12 75.42 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.229 -0.441 . . . . 2.6 110.442 178.26 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.498 ' HG3' ' O ' ' A' ' 23' ' ' GLU . 27.1 mt-30 -67.76 -34.68 77.29 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.656 -0.498 . . . . 1.37 109.656 178.231 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.489 HG23 ' O ' ' A' ' 24' ' ' LEU . 82.1 t -68.47 -48.7 71.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.889 -0.596 . . . . 0.4 110.006 177.393 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -59.63 -34.98 73.49 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.139 -0.482 . . . . 1.21 110.788 177.457 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 41.6 t -65.17 -44.66 87.78 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.199 -0.455 . . . . 1.3 110.57 177.463 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.45 HD11 HG23 ' A' ' 49' ' ' ILE . 52.0 tp -64.75 -48.31 75.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.42 -0.354 . . . . 1.14 110.335 -179.398 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 86.8 mt -60.45 -33.8 73.07 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.102 -0.499 . . . . 0.67 111.093 178.265 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 33.0 t -63.44 -42.55 98.68 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.065 -0.516 . . . . 1.29 110.181 178.443 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -75.56 -32.21 60.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.155 0.503 . . . . 1.86 109.998 -179.571 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 21.5 m -73.43 -10.59 59.89 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.616 -0.72 . . . . 1.33 111.301 179.763 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 9.9 tt0 -100.4 -10.36 21.25 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.472 0.653 . . . . 2.91 109.473 -174.435 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 87.7 mt -66.82 136.54 55.59 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.332 -0.849 . . . . 0.95 110.176 -178.797 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 7.8 ptpp? -63.57 -29.64 70.87 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.199 -0.455 . . . . 3.61 109.959 177.092 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 44.3 mm-40 -73.07 -17.23 61.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.517 -0.765 . . . . 3.24 111.073 177.465 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -86.69 -0.21 55.84 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.326 -0.397 . . . . 1.2 111.467 -177.61 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 49.0 tp -72.51 -9.09 58.13 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.345 0.593 . . . . 2.76 110.253 176.778 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 22.3 mm-40 -73.63 129.86 84.68 Favored Pre-proline 0 C--N 1.323 -0.563 0 CA-C-N 115.813 -0.63 . . . . 3.43 110.499 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_exo -46.3 -43.66 21.13 Favored 'Trans proline' 0 C--N 1.348 0.538 0 C-N-CA 123.05 2.5 . . . . 1.63 114.184 -171.413 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 84.1 m-20 -59.69 -43.26 94.13 Favored 'General case' 0 N--CA 1.464 0.235 0 N-CA-C 111.491 0.182 . . . . 1.75 111.491 -176.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.41 ' O ' HG13 ' A' ' 49' ' ' ILE . 16.9 tppt? -64.6 -42.81 95.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.761 -0.2 . . . . 1.99 110.701 179.353 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 13.8 mmt180 -57.12 -43.83 82.74 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.379 -0.373 . . . . 3.72 110.832 179.603 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 68.3 mt-30 -61.44 -39.28 90.27 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.83 -0.623 . . . . 2.64 110.765 179.211 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 16.6 t60 -69.48 -34.87 74.98 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.994 -0.548 . . . . 1.02 110.152 -179.233 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.45 HG23 HD11 ' A' ' 31' ' ' LEU . 85.5 mt -65.96 -42.28 91.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.927 -0.578 . . . . 0.61 110.961 178.855 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 72.3 t80 -54.01 -41.02 67.51 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 116.34 -0.391 . . . . 0.46 111.355 178.592 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.56 ' O ' ' HG2' ' A' ' 55' ' ' GLN . 51.7 tp60 -67.06 -42.3 85.0 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.403 -0.362 . . . . 1.48 110.305 -179.474 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -66.53 -31.75 72.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.485 . . . . 3.69 111.307 179.042 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.448 ' SG ' ' HB2' ' A' ' 104' ' ' ALA . 45.7 t -67.29 -42.31 83.95 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.708 -0.478 . . . . 0.54 109.708 -178.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 60.8 mt -58.88 -39.96 78.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.826 -0.625 . . . . 0.44 110.876 176.263 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.56 ' HG2' ' O ' ' A' ' 51' ' ' GLN . 77.0 mm-40 -65.18 -50.84 64.4 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.08 -0.509 . . . . 2.54 111.165 -178.154 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.403 ' O ' HG13 ' A' ' 60' ' ' ILE . 65.6 mt -61.28 -38.25 86.11 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.464 -0.335 . . . . 0.4 111.675 178.667 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 64.0 tttm -62.43 -41.42 98.71 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.839 0.352 . . . . 1.78 110.213 179.761 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 47.3 tt0 -63.88 -38.41 90.98 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.927 -0.579 . . . . 2.41 110.442 176.705 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -66.3 -45.31 80.82 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.967 -0.56 . . . . 0.26 111.56 -179.285 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.403 HG13 ' O ' ' A' ' 56' ' ' LEU . 73.1 mt -64.67 -41.97 93.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 121.04 0.448 . . . . 0.36 110.016 179.562 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -59.84 -36.86 77.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.612 -0.722 . . . . 0.64 110.404 177.326 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 19.5 tp10 -61.36 -47.19 86.98 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.367 -0.833 . . . . 2.28 110.712 179.021 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -72.21 -33.68 67.78 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.738 -0.385 . . . . 1.07 110.983 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 59.9 tttp -56.79 -45.87 81.91 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 120.988 0.423 . . . . 1.48 110.073 173.18 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 -64.27 -37.54 87.86 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.739 -0.664 . . . . 1.35 110.89 179.012 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.446 ' O ' ' HG ' ' A' ' 70' ' ' LEU . . . -66.71 -45.88 77.35 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.027 -0.533 . . . . 0.46 110.115 177.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 53.3 tp -61.09 -42.8 99.18 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.497 -0.774 . . . . 0.57 111.025 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 51.0 tp60 -63.26 -31.18 72.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.112 -0.494 . . . . 1.8 111.451 178.348 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 26.2 tptp -80.83 -28.78 36.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.885 0.374 . . . . 2.67 110.674 -178.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.446 ' HG ' ' O ' ' A' ' 66' ' ' ALA . 91.4 mt -80.89 72.0 7.87 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.175 0.512 . . . . 2.13 110.339 178.743 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 23.4 m -98.9 149.22 23.16 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.772 -0.649 . . . . 3.1 110.397 -178.149 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 22.3 tttm -147.07 10.69 1.02 Allowed 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.838 -0.345 . . . . 6.17 110.954 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -79.67 -28.2 40.76 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.497 0.555 . . . . 4.6 112.497 -174.428 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -85.22 -25.14 27.52 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.741 -0.383 . . . . 6.87 110.914 -177.255 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -93.63 -7.96 42.42 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.219 -0.446 . . . . 6.68 111.115 -179.718 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 8.8 t -155.09 117.63 4.27 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.262 -0.426 . . . . 5.08 110.0 -177.654 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -84.77 -52.38 0.51 Allowed Pre-proline 0 C--N 1.322 -0.594 0 N-CA-C 112.357 0.502 . . . . 4.62 112.357 -179.273 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 90.8 Cg_endo -76.39 63.17 7.11 Favored 'Trans proline' 0 C--N 1.357 0.995 0 C-N-CA 122.036 1.824 . . . . 3.94 113.054 -179.352 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 10.5 m -136.62 47.86 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 121.178 0.513 . . . . 3.47 110.782 176.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.72 -33.38 71.56 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.869 -0.605 . . . . 2.32 111.384 -178.629 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.431 ' O ' ' HG3' ' A' ' 85' ' ' ARG . 21.9 p-10 -65.71 -39.66 91.43 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.865 -0.607 . . . . 2.86 110.906 177.35 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 36.0 t80 -69.05 -40.55 78.47 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.63 -0.508 . . . . 1.57 109.63 178.472 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.551 ' O ' ' HG3' ' A' ' 87' ' ' GLU . 91.4 m-20 -66.43 -42.85 87.08 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.944 -0.571 . . . . 1.92 111.027 -179.516 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . 0.655 ' HA ' HE21 ' A' ' 84' ' ' GLN . 0.0 OUTLIER -60.17 -45.73 92.08 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.427 -0.351 . . . . 3.57 111.355 -177.437 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.431 ' HG3' ' O ' ' A' ' 81' ' ' ASN . 97.1 mtt180 -63.17 -33.11 74.76 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.232 0.539 . . . . 3.59 109.913 -179.329 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 21.5 ttmm -70.65 -44.16 67.71 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.334 -0.848 . . . . 2.26 110.751 178.253 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.551 ' HG3' ' O ' ' A' ' 83' ' ' ASN . 48.3 mt-10 -68.49 -43.22 77.36 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.343 -0.39 . . . . 2.94 110.805 -178.807 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 40.6 mm-40 -65.06 -31.57 72.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.332 -0.395 . . . . 2.99 110.993 179.558 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 23.4 tp10 -68.55 -35.34 77.28 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.784 -0.45 . . . . 1.83 109.784 178.541 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 7.7 m-70 -61.33 -42.58 98.92 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.191 -0.459 . . . . 0.58 110.194 174.648 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 18.8 m -61.42 -38.51 87.39 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.789 -0.641 . . . . 0.79 110.929 178.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 63.2 tp -70.92 -51.45 25.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 0.53 111.115 179.375 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 94.8 mt -64.58 -32.98 74.86 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.139 -0.482 . . . . 0.69 111.365 -175.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -63.86 -45.28 90.19 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.596 -0.275 . . . . 0.82 110.394 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 55.7 tttp -59.29 -49.53 77.49 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.619 -0.264 . . . . 2.25 111.38 177.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 86.4 mt -59.27 -46.39 88.64 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.379 -0.373 . . . . 0.4 110.806 -178.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 27.6 m -59.7 -45.87 90.79 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.422 -0.353 . . . . 0.44 111.179 176.191 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 7.2 tp60 -64.47 -40.57 95.93 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.169 -0.469 . . . . 2.53 111.263 -178.207 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 31.4 tt0 -65.02 -41.88 94.88 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.754 -0.657 . . . . 2.3 110.614 -177.75 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.417 HD11 HG22 ' A' ' 28' ' ' VAL . 77.6 mt -71.12 -47.19 59.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.952 -0.567 . . . . 0.38 111.043 179.697 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 51.0 tp60 -61.47 -35.75 78.51 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.177 -0.465 . . . . 2.34 110.388 -178.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -64.9 -45.29 92.93 Favored Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 120.523 -0.846 . . . . 0.46 111.618 175.294 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 65.0 tp -64.31 -41.24 96.92 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.911 0.386 . . . . 0.66 110.578 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.448 ' HB2' ' SG ' ' A' ' 53' ' ' CYS . . . -58.14 -46.44 85.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.841 -0.618 . . . . 0.45 110.872 -179.758 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 97.4 t -67.55 -34.83 70.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.813 0.34 . . . . 0.68 110.671 178.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 88.1 m -61.07 -39.97 91.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.937 0.399 . . . . 0.68 110.681 177.527 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 65.9 mt -78.98 -35.27 17.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 121.017 0.436 . . . . 0.83 110.646 178.299 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . 0.438 ' O ' HD11 ' A' ' 112' ' ' ILE . 38.6 t -63.73 -27.15 69.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.027 -0.533 . . . . 1.19 110.499 178.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 74.8 mtp180 -119.64 54.25 1.01 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.909 -0.587 . . . . 5.77 109.661 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -81.06 -57.19 3.64 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.578 -0.737 . . . . 6.0 110.348 -175.117 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 65.9 t30 -153.95 69.94 0.8 Allowed 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.676 -0.49 . . . . 6.62 109.676 -177.804 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.438 HD11 ' O ' ' A' ' 108' ' ' SER . 34.8 mt -91.72 -80.92 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 116.319 -0.4 . . . . 8.37 111.563 -176.075 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 1.1 m -100.16 0.3 40.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.116 0.484 . . . . 9.67 111.38 -171.669 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -83.23 16.14 2.58 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.178 0.513 . . . . 11.2 111.396 -177.463 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 3.6 m -126.18 25.17 2.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 115.702 -0.681 . . . . 12.46 109.604 172.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -112.92 111.42 2.74 Favored Glycine 0 N--CA 1.449 -0.464 0 CA-C-N 115.05 -0.977 . . . . 13.58 111.733 -179.198 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -128.53 155.72 78.35 Favored Pre-proline 0 C--N 1.324 -0.533 0 N-CA-C 110.203 -0.295 . . . . 16.1 110.203 -178.396 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 92.2 Cg_endo -81.27 57.37 6.43 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.43 2.087 . . . . 18.52 111.853 -179.137 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 25.9 m . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.427 -0.797 . . . . 20.01 109.764 -179.485 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.719 0 N-CA-C 111.831 -0.507 . . . . 15.85 111.831 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 26.8 Cg_exo -62.51 -35.42 71.36 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.598 2.198 . . . . 16.1 112.287 -179.273 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 26.5 mmt -129.67 60.79 1.57 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.029 0.442 . . . . 14.03 110.156 -179.522 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -73.26 -26.89 61.28 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.16 -0.473 . . . . 12.6 110.688 179.686 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 59.8 ttp -103.04 97.85 7.88 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.502 -0.555 . . . . 12.35 109.502 175.478 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 91.7 mt -77.48 66.07 3.14 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.121 0.486 . . . . 9.95 111.729 -177.584 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -81.96 74.6 8.93 Favored 'General case' 0 N--CA 1.449 -0.479 0 N-CA-C 109.288 -0.634 . . . . 8.65 109.288 174.235 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 27.6 mmm180 -60.96 -67.42 0.4 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.265 -0.88 . . . . 9.34 111.416 -172.718 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 76.1 mtt180 70.66 -54.63 0.65 Allowed 'General case' 0 N--CA 1.473 0.71 0 N-CA-C 113.26 0.837 . . . . 8.86 113.26 174.35 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 55.3 tp60 -63.22 -68.28 0.35 Allowed 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 111.886 0.328 . . . . 6.88 111.886 -174.273 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 86.3 mtm180 -96.62 -21.5 17.6 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.022 0.439 . . . . 6.91 110.569 -177.765 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -125.04 68.72 57.14 Favored Pre-proline 0 C--N 1.324 -0.54 0 CA-C-N 116.077 -0.51 . . . . 2.19 111.098 178.554 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -64.37 -35.71 48.77 Favored 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 122.419 2.079 . . . . 1.45 111.269 176.77 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 73.5 mt -62.5 -39.93 95.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.534 -0.757 . . . . 0.85 110.982 -177.51 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -66.09 -48.3 71.4 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.612 0.244 . . . . 2.75 110.966 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.94 -45.17 78.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.926 0.393 . . . . 0.71 110.908 -178.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 39.2 tp -62.62 -36.83 84.03 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.976 -0.556 . . . . 1.09 110.868 177.654 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.443 ' HB2' ' NH2' ' A' ' 85' ' ' ARG . 76.5 ttt180 -59.14 -35.51 73.62 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-O 120.748 0.309 . . . . 3.33 110.331 177.251 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 38.4 mtp85 -61.55 -42.17 98.44 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.139 0.495 . . . . 3.76 110.172 176.787 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 31.0 mmt180 -70.69 -36.23 73.18 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.928 -0.578 . . . . 4.04 110.904 175.739 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 97.5 m-20 -63.82 -40.73 97.32 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.631 0.253 . . . . 1.34 110.598 175.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 53.1 tt0 -63.74 -32.0 73.36 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.03 0.443 . . . . 2.79 110.418 177.004 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.403 ' O ' ' HG3' ' A' ' 27' ' ' GLN . 9.3 tp10 -65.86 -48.2 72.37 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.419 -0.81 . . . . 2.14 109.0 -179.601 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.468 ' O ' HG23 ' A' ' 28' ' ' VAL . 91.0 mt -67.87 -36.75 80.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.126 -0.943 . . . . 0.68 110.595 178.214 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 20.4 tptm -57.8 -46.52 84.52 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.52 -0.309 . . . . 1.9 110.785 178.484 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.656 ' HA ' HE21 ' A' ' 26' ' ' GLN . 0.0 OUTLIER -64.17 -32.76 74.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.031 0.443 . . . . 2.6 110.508 179.188 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.403 ' HG3' ' O ' ' A' ' 23' ' ' GLU . 28.5 mt-30 -70.03 -33.92 72.61 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.951 -0.568 . . . . 1.37 109.798 178.316 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.468 HG23 ' O ' ' A' ' 24' ' ' LEU . 74.9 t -67.75 -43.62 86.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 N-CA-C 109.901 -0.407 . . . . 0.4 109.901 176.545 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -58.02 -36.56 72.88 Favored 'General case' 0 CA--C 1.519 -0.244 0 CA-C-O 121.108 0.48 . . . . 1.21 109.936 175.484 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.607 ' O ' ' HG2' ' A' ' 34' ' ' GLU . 42.2 m -66.88 -40.86 87.94 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.597 -0.729 . . . . 1.3 110.621 178.524 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.434 HD13 ' O ' ' A' ' 31' ' ' LEU . 1.6 tm? -65.16 -40.85 94.92 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.472 -0.566 . . . . 1.14 109.472 -179.243 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.461 ' O ' ' HG2' ' A' ' 36' ' ' GLN . 97.0 mt -63.35 -40.48 97.41 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.106 -0.497 . . . . 0.67 111.058 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 11.9 p -71.42 -32.21 68.13 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.458 -0.337 . . . . 1.29 111.773 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.607 ' HG2' ' O ' ' A' ' 30' ' ' SER . 42.3 mm-40 -75.5 -37.86 59.87 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 121.188 0.518 . . . . 1.86 110.872 -178.008 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 22.0 p -71.65 -11.21 60.72 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.84 -0.618 . . . . 1.33 112.088 -174.15 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.461 ' HG2' ' O ' ' A' ' 32' ' ' LEU . 34.8 mm-40 -103.39 1.51 32.7 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.972 -0.381 . . . . 2.91 109.972 -176.748 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.591 ' O ' ' HG ' ' A' ' 41' ' ' LEU . 93.7 mt -75.87 133.94 40.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.066 -0.515 . . . . 0.95 110.14 -178.671 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 54.9 mttp -65.4 -33.32 75.68 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.273 -0.876 . . . . 3.61 110.804 -175.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -76.45 -21.83 55.38 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.083 -0.508 . . . . 3.24 110.681 178.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.456 ' HB1' HD11 ' A' ' 49' ' ' ILE . . . -92.38 -0.86 57.34 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.987 -0.551 . . . . 1.2 111.144 -176.688 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.591 ' HG ' ' O ' ' A' ' 37' ' ' LEU . 92.2 mt -85.21 3.99 36.73 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.847 -0.615 . . . . 2.76 110.765 179.153 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.543 ' O ' ' HG3' ' A' ' 46' ' ' ARG . 51.7 mm-40 -69.31 143.52 93.71 Favored Pre-proline 0 C--N 1.325 -0.496 0 CA-C-N 115.967 -0.56 . . . . 3.43 110.343 177.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_endo -50.28 -48.41 20.13 Favored 'Trans proline' 0 C--N 1.348 0.52 0 C-N-CA 122.897 2.398 . . . . 1.63 113.445 -171.401 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -68.55 -40.79 80.51 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.816 -0.175 . . . . 1.75 111.084 -174.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.407 ' HG2' ' HA ' ' A' ' 40' ' ' ALA . 27.7 tptp -62.52 -31.41 72.18 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.635 -0.257 . . . . 1.99 110.877 -179.586 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.543 ' HG3' ' O ' ' A' ' 42' ' ' GLU . 96.0 mtt180 -56.7 -42.08 78.52 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.396 -0.365 . . . . 3.72 110.756 178.625 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -64.66 -36.06 83.03 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.938 0.399 . . . . 2.64 110.815 178.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 7.8 t60 -69.86 -38.8 76.55 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.978 -0.555 . . . . 1.02 110.065 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.456 HD11 ' HB1' ' A' ' 40' ' ' ALA . 65.2 mt -69.45 -43.4 80.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.286 -0.416 . . . . 0.61 110.188 178.317 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 58.6 t80 -54.28 -40.27 67.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 0.46 110.879 175.73 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 57.6 tp60 -64.46 -44.88 89.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.029 0.443 . . . . 1.48 110.38 177.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.453 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 28.3 mmm180 -65.76 -33.03 74.92 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.052 -0.522 . . . . 3.69 110.953 -179.595 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 31.3 t -68.0 -41.67 81.91 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.078 -0.51 . . . . 0.54 109.763 179.11 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 62.0 mt -59.06 -40.78 81.59 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-N 115.787 -0.642 . . . . 0.44 110.722 175.475 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 58.2 tp60 -60.73 -50.1 74.84 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.26 -0.427 . . . . 2.54 110.7 -179.387 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.453 ' HG ' ' O ' ' A' ' 52' ' ' ARG . 52.6 mt -60.61 -40.19 90.94 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.242 -0.435 . . . . 0.4 111.405 178.079 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 39.8 ttpt -61.35 -45.85 92.67 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.997 0.427 . . . . 1.78 110.566 -178.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -64.11 -35.85 82.11 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.79 -0.641 . . . . 2.41 111.05 178.532 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -67.03 -40.01 87.1 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.348 -0.387 . . . . 0.26 111.195 179.508 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.442 HG13 ' O ' ' A' ' 56' ' ' LEU . 77.9 mt -66.79 -44.07 89.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.363 -0.38 . . . . 0.36 110.376 178.833 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -60.07 -36.3 77.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.83 -0.623 . . . . 0.64 109.988 178.407 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -61.0 -47.27 87.22 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.403 -0.817 . . . . 2.28 110.99 177.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 7.6 m-20 -65.46 -42.79 91.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.446 . . . . 1.07 110.743 178.65 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 84.5 tttt -60.23 -46.09 90.96 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.893 -0.594 . . . . 1.48 110.677 178.606 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -66.09 -36.48 83.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.082 -0.508 . . . . 1.35 111.092 -178.404 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -63.86 -47.48 80.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.985 0.421 . . . . 0.46 110.694 177.425 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 56.8 tp -63.56 -43.8 95.98 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.9 -0.591 . . . . 0.57 110.75 179.313 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 63.5 tt0 -63.56 -28.43 69.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.87 -0.605 . . . . 1.8 111.122 179.548 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 28.7 ttpp -76.58 -20.77 56.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.943 0.402 . . . . 2.67 110.759 -178.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 97.9 mt -77.09 73.74 3.67 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.236 0.541 . . . . 2.13 110.367 178.264 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 36.8 m -94.41 42.81 1.1 Allowed 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.821 -0.627 . . . . 3.1 110.726 -178.62 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.442 ' HG3' ' O ' ' A' ' 72' ' ' LYS . 47.2 pttt -79.55 87.69 5.12 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.362 0.601 . . . . 6.17 110.039 178.751 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -79.58 -29.25 41.19 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.186 -0.461 . . . . 4.6 111.726 -177.014 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -101.18 -25.69 13.92 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.584 -0.446 . . . . 6.87 111.297 -177.641 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.401 ' HB2' ' HB2' ' A' ' 72' ' ' LYS . 38.8 mt-10 -91.18 41.71 1.07 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.336 0.588 . . . . 6.68 110.456 177.218 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 22.9 t -160.85 161.58 31.94 Favored 'General case' 0 N--CA 1.446 -0.641 0 CA-C-N 115.304 -0.862 . . . . 5.08 108.872 -178.535 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -115.96 89.66 25.33 Favored Pre-proline 0 C--N 1.322 -0.619 0 N-CA-C 110.391 -0.226 . . . . 4.62 110.391 178.607 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 7.4 Cg_exo -73.92 59.53 4.35 Favored 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 122.993 2.462 . . . . 3.94 112.286 178.708 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 22.0 t -80.91 -70.81 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.433 -0.349 . . . . 3.47 111.082 -177.638 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -155.57 -63.95 0.12 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.605 0.24 . . . . 2.32 111.628 -178.402 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -58.11 -42.04 84.88 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-O 120.879 0.371 . . . . 2.86 111.067 -177.241 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 26.7 t80 -66.12 -38.36 88.0 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.944 -0.571 . . . . 1.57 110.198 -179.188 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 76.1 m-20 -68.64 -41.07 79.89 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-O 121.177 0.513 . . . . 1.92 110.278 -179.382 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . 0.498 ' O ' ' HG2' ' A' ' 88' ' ' GLU . 8.1 tt0 -61.16 -51.0 70.9 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.394 -0.821 . . . . 3.57 110.869 -177.486 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.467 ' O ' ' HG2' ' A' ' 89' ' ' GLU . 11.2 mtp180 -67.92 -35.17 77.98 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.395 -0.366 . . . . 3.59 111.688 -176.058 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 38.8 ttmt -59.5 -39.56 84.21 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.108 0.48 . . . . 2.26 110.277 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 15.9 tp10 -71.73 -39.63 69.97 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.89 -0.596 . . . . 2.94 110.386 178.055 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.498 ' HG2' ' O ' ' A' ' 84' ' ' GLN . 47.9 mm-40 -63.98 -37.72 88.44 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.09 -0.504 . . . . 2.99 111.595 -176.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.467 ' HG2' ' O ' ' A' ' 85' ' ' ARG . 70.0 mm-40 -60.82 -42.63 98.06 Favored 'General case' 0 C--N 1.332 -0.163 0 N-CA-C 109.598 -0.519 . . . . 1.83 109.598 177.499 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 32.1 m-70 -63.53 -37.95 89.26 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.872 -0.604 . . . . 0.58 110.503 176.474 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 25.9 m -65.92 -38.9 89.89 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.999 0.428 . . . . 0.79 111.031 -179.41 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.457 ' O ' ' HG ' ' A' ' 96' ' ' LEU . 57.8 tp -70.22 -51.9 27.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.102 -0.499 . . . . 0.53 110.648 179.525 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 89.9 mt -66.29 -33.37 75.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.494 . . . . 0.69 111.096 -175.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -64.43 -45.24 88.36 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.742 -0.208 . . . . 0.82 111.126 -178.434 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 59.9 tttp -62.36 -45.1 94.71 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.725 0.298 . . . . 2.25 110.555 178.338 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.457 ' HG ' ' O ' ' A' ' 92' ' ' LEU . 86.4 mt -59.24 -46.57 88.14 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.94 -0.573 . . . . 0.4 110.485 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 28.0 m -58.86 -46.1 88.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.23 -0.441 . . . . 0.44 111.335 177.318 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 8.7 tp-100 -68.46 -41.17 80.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.28 -0.418 . . . . 2.53 111.1 -176.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 9.9 tt0 -63.76 -48.23 77.81 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.983 -0.553 . . . . 2.3 110.766 -179.678 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 66.8 mt -63.95 -44.56 92.46 Favored 'General case' 0 C--O 1.222 -0.369 0 CA-C-N 116.194 -0.457 . . . . 0.38 110.776 -178.682 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 52.3 tp60 -61.51 -40.68 95.5 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.451 -0.34 . . . . 2.34 110.361 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -67.51 -43.32 86.93 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.763 -0.732 . . . . 0.46 111.998 177.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.467 ' O ' HG13 ' A' ' 107' ' ' ILE . 54.3 tp -68.16 -42.8 79.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.546 0.213 . . . . 0.66 110.895 -179.64 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -56.08 -46.75 78.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.948 0.404 . . . . 0.45 110.933 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 96.3 t -65.4 -32.55 58.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.0 -0.545 . . . . 0.68 110.604 178.183 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 60.4 m -66.92 -42.11 85.92 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.232 -0.44 . . . . 0.68 110.683 176.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.467 HG13 ' O ' ' A' ' 103' ' ' LEU . 73.0 mt -68.78 -40.27 81.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.196 -0.456 . . . . 0.83 110.761 -178.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 41.9 t -80.16 -5.51 56.17 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.026 -0.533 . . . . 1.19 110.241 -179.564 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 24.7 mmt180 65.76 -166.92 0.22 Allowed 'General case' 0 C--O 1.232 0.177 0 CA-C-N 115.346 -0.843 . . . . 5.77 111.412 178.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -78.23 46.45 0.61 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.399 0.619 . . . . 6.0 111.023 -179.207 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -83.12 69.53 9.89 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.745 -0.661 . . . . 6.62 109.289 177.538 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 78.9 mt -61.15 -37.05 76.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.655 -0.702 . . . . 8.37 109.707 179.508 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 12.2 m -78.94 61.66 3.2 Favored 'General case' 0 N--CA 1.448 -0.557 0 CA-C-N 115.569 -0.741 . . . . 9.67 109.902 174.103 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -93.96 -12.42 28.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.829 -0.623 . . . . 11.2 110.523 179.096 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 24.5 t -81.49 87.29 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.819 -0.628 . . . . 12.46 110.716 -176.322 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -87.33 71.54 2.67 Favored Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.912 -0.661 . . . . 13.58 111.478 176.053 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -121.24 106.45 38.34 Favored Pre-proline 0 C--N 1.325 -0.494 0 CA-C-O 120.608 0.242 . . . . 16.1 110.762 -176.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 89.8 Cg_endo -80.41 24.08 0.67 Allowed 'Trans proline' 0 CA--C 1.53 0.317 0 C-N-CA 122.554 2.169 . . . . 18.52 112.389 178.71 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 2.7 p . . . . . 0 C--O 1.251 1.154 0 CA-C-O 118.691 -0.671 . . . . 20.01 111.087 -179.756 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.791 0 N-CA-C 111.981 -0.447 . . . . 15.85 111.981 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -61.89 123.73 13.16 Favored 'Trans proline' 0 C--O 1.236 0.384 0 C-N-CA 122.795 2.33 . . . . 16.1 112.408 -178.5 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 70.7 mtm 60.94 -159.01 0.32 Allowed 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 115.659 -0.701 . . . . 14.03 111.014 179.676 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -90.47 -60.01 2.03 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.882 0.372 . . . . 12.6 111.01 -179.751 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 50.0 tpp -127.65 90.52 3.13 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.06 0.457 . . . . 12.35 110.541 -178.082 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 63.0 tp -104.24 124.05 48.44 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.025 -0.534 . . . . 9.95 110.194 176.14 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -76.06 68.49 2.53 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.33 0.586 . . . . 8.65 110.573 176.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 15.3 ptm180 -85.05 -20.34 30.58 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.273 -0.876 . . . . 9.34 110.821 -178.514 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 57.5 mtp180 -119.49 113.55 20.92 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.359 -0.382 . . . . 8.86 110.198 177.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -80.07 77.12 6.79 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.099 0.476 . . . . 6.88 109.991 178.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 28.2 mmm180 -89.81 142.54 27.59 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.06 -0.518 . . . . 6.91 110.028 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.8 t70 59.53 72.82 0.74 Allowed Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.101 0.876 . . . . 2.19 110.698 -178.051 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.444 ' HB2' HD11 ' A' ' 70' ' ' LEU . 31.5 Cg_exo -60.12 -28.66 87.44 Favored 'Trans proline' 0 C--N 1.348 0.532 0 C-N-CA 123.194 2.596 . . . . 1.45 112.935 -177.773 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 95.2 mt -57.74 -38.87 76.1 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.675 -0.239 . . . . 0.85 110.707 178.71 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -62.01 -45.15 94.88 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-O 120.729 0.3 . . . . 2.75 110.989 177.615 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.93 -45.01 94.52 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.993 0.425 . . . . 0.71 110.658 179.447 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.461 HD21 ' HB2' ' A' ' 67' ' ' LEU . 51.3 tp -64.91 -37.78 88.78 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.969 -0.56 . . . . 1.09 110.879 177.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.436 ' O ' ' HG2' ' A' ' 22' ' ' GLN . 37.7 ttp180 -58.7 -37.84 76.98 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.827 -0.434 . . . . 3.33 109.827 177.486 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 68.7 ttt180 -63.74 -42.32 97.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.968 -0.56 . . . . 3.76 110.154 176.523 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.415 HH11 ' HD2' ' A' ' 20' ' ' ARG . 36.4 mtp85 -61.74 -42.34 98.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.805 -0.634 . . . . 4.04 110.781 175.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 89.5 m-20 -63.18 -39.08 93.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.465 -0.334 . . . . 1.34 111.368 178.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.436 ' HG2' ' O ' ' A' ' 18' ' ' ARG . 18.0 mm-40 -63.58 -32.27 73.68 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-O 121.237 0.542 . . . . 2.79 110.477 177.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.477 ' O ' ' HG3' ' A' ' 27' ' ' GLN . 35.8 tt0 -70.29 -44.43 68.37 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.57 -0.741 . . . . 2.14 109.622 178.737 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.608 HD11 ' ND2' ' A' ' 63' ' ' ASN . 97.3 mt -64.65 -40.19 95.01 Favored 'General case' 0 CA--C 1.516 -0.331 0 CA-C-N 115.717 -0.674 . . . . 0.68 110.93 178.31 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 53.4 tttm -58.14 -40.97 82.67 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.774 0.321 . . . . 1.9 110.412 179.759 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -64.56 -34.31 77.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.28 -0.418 . . . . 2.6 110.4 178.1 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.477 ' HG3' ' O ' ' A' ' 23' ' ' GLU . 25.3 mt-30 -69.23 -37.18 77.87 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.026 -0.534 . . . . 1.37 110.313 179.771 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 85.6 t -68.96 -46.65 78.6 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-N 116.199 -0.455 . . . . 0.4 110.316 179.02 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -60.0 -33.11 71.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.049 -0.523 . . . . 1.21 110.513 176.348 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 26.7 t -64.24 -42.61 96.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 1.3 110.134 177.327 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.462 HD11 HG23 ' A' ' 49' ' ' ILE . 44.5 tp -62.41 -47.08 85.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.08 -0.509 . . . . 1.14 110.202 177.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 94.5 mt -59.65 -33.02 71.01 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.601 -0.727 . . . . 0.67 110.904 177.706 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 32.4 t -62.64 -41.93 99.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.409 -0.36 . . . . 1.29 110.511 178.736 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -73.69 -40.46 63.62 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.306 0.574 . . . . 1.86 109.757 179.238 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 29.0 t -68.88 -10.04 54.88 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.245 -0.888 . . . . 1.33 111.453 -178.38 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 27.3 tt0 -96.64 -5.01 39.99 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.594 0.712 . . . . 2.91 109.78 -175.068 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 85.6 mt -88.74 153.38 21.14 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.643 -0.708 . . . . 0.95 110.307 -177.767 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 62.4 tttp -71.75 -29.98 65.1 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.111 -0.495 . . . . 3.61 110.148 178.741 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -68.02 -17.79 64.52 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.688 -0.687 . . . . 3.24 110.881 179.15 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -74.65 -13.38 60.63 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.074 -0.512 . . . . 1.2 111.642 -176.695 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 27.0 tp -85.45 3.69 39.03 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.419 0.628 . . . . 2.76 110.151 178.708 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.565 ' OE1' ' HD2' ' A' ' 43' ' ' PRO . 10.5 tp10 -81.45 119.2 75.01 Favored Pre-proline 0 C--N 1.324 -0.514 0 N-CA-C 108.86 -0.792 . . . . 3.43 108.86 175.36 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.565 ' HD2' ' OE1' ' A' ' 42' ' ' GLU . 82.7 Cg_exo -45.66 -42.51 19.0 Favored 'Trans proline' 0 C--N 1.352 0.715 0 C-N-CA 123.026 2.484 . . . . 1.63 114.203 -170.425 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 7.2 m-20 -59.81 -47.95 83.64 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 120.566 0.222 . . . . 1.75 111.182 -178.529 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.449 ' O ' HG13 ' A' ' 49' ' ' ILE . 0.0 OUTLIER -74.37 -37.84 63.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.981 0.42 . . . . 1.99 110.629 178.645 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.52 HH12 ' CD ' ' A' ' 110' ' ' GLU . 39.7 ttt180 -61.37 -43.35 99.02 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.514 -0.767 . . . . 3.72 111.092 -177.431 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.403 ' HG2' ' O ' ' A' ' 43' ' ' PRO . 11.7 mm100 -68.11 -31.66 71.42 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-O 120.989 0.423 . . . . 2.64 110.342 178.081 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 33.0 t60 -66.99 -34.54 77.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.034 -0.53 . . . . 1.02 109.842 177.324 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.462 HG23 HD11 ' A' ' 31' ' ' LEU . 70.3 mt -59.42 -41.7 85.34 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.144 0 CA-C-N 116.279 -0.419 . . . . 0.61 110.382 176.323 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 26.6 t80 -54.74 -40.92 69.79 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 116.098 -0.501 . . . . 0.46 111.236 176.278 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 59.5 tp60 -65.95 -44.11 85.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.872 0.368 . . . . 1.48 110.532 179.229 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.537 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 82.5 mtt180 -61.23 -36.71 80.68 Favored 'General case' 0 CA--C 1.52 -0.21 0 CA-C-O 121.003 0.43 . . . . 3.69 110.549 177.093 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 4.6 t -67.49 -42.32 83.11 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.482 -0.781 . . . . 0.54 109.909 -175.556 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 69.0 mt -59.95 -47.69 90.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.885 -0.598 . . . . 0.44 111.037 176.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 25.8 tm0? -63.15 -49.33 74.76 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.256 -0.429 . . . . 2.54 110.973 -176.515 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.537 ' HG ' ' O ' ' A' ' 52' ' ' ARG . 78.4 mt -59.91 -37.0 78.17 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.593 -0.276 . . . . 0.4 111.391 178.466 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 82.2 tttt -64.74 -39.44 93.63 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.961 0.41 . . . . 1.78 110.038 178.365 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 -63.56 -35.72 81.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.89 -0.595 . . . . 2.41 110.858 178.618 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -68.15 -40.11 82.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.27 -0.423 . . . . 0.26 111.018 179.496 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 65.7 mt -67.28 -42.31 87.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-O 120.933 0.397 . . . . 0.36 110.266 178.499 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -59.57 -39.76 85.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.851 -0.613 . . . . 0.64 110.2 178.166 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -61.35 -47.81 84.19 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.486 -0.779 . . . . 2.28 111.002 179.399 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.608 ' ND2' HD11 ' A' ' 24' ' ' LEU . 28.8 m-80 -69.89 -37.09 75.91 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.207 -0.451 . . . . 1.07 110.81 -179.736 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 81.7 tttt -60.26 -44.55 95.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.99 0.424 . . . . 1.48 110.125 174.609 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -67.53 -36.23 80.61 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.917 -0.583 . . . . 1.35 110.719 179.18 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -62.17 -44.22 97.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.092 0.472 . . . . 0.46 110.413 177.785 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.461 ' HB2' HD21 ' A' ' 17' ' ' LEU . 32.0 tp -64.04 -42.44 97.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.658 -0.701 . . . . 0.57 111.071 178.63 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -73.54 -24.12 60.09 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.066 0.46 . . . . 1.8 110.631 179.644 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -74.76 -24.13 58.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.419 0.628 . . . . 2.67 109.692 175.151 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.444 HD11 ' HB2' ' A' ' 13' ' ' PRO . 2.8 tt -79.35 68.68 5.42 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 108.727 -0.842 . . . . 2.13 108.727 176.144 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 41.8 m -88.72 90.52 8.44 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.127 -0.942 . . . . 3.1 111.263 -175.792 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -103.38 48.07 0.86 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.408 0.623 . . . . 6.17 109.587 173.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -73.32 -7.7 52.72 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.405 -0.816 . . . . 4.6 111.284 -178.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.418 ' O ' ' HB3' ' A' ' 75' ' ' GLU . 8.1 p-10 -81.2 3.78 22.54 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.986 -0.552 . . . . 6.87 110.025 176.501 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.418 ' HB3' ' O ' ' A' ' 74' ' ' ASP . 35.7 tt0 81.25 108.64 0.07 Allowed 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 114.782 -1.099 . . . . 6.68 111.694 174.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 12.0 p -103.86 -61.7 1.4 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.658 -0.701 . . . . 5.08 110.055 176.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -162.02 63.0 1.47 Allowed Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 115.98 -0.554 . . . . 4.62 111.199 177.008 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_endo -83.07 60.07 6.91 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.397 2.064 . . . . 3.94 111.832 -178.423 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 60.1 t -73.5 -62.11 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-N 115.817 -0.629 . . . . 3.47 111.059 -177.472 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -158.7 -58.29 0.07 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.812 0.339 . . . . 2.32 111.267 179.396 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -64.26 -37.4 87.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.264 -0.425 . . . . 2.86 111.01 -178.679 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 11.8 t80 -56.96 -39.99 75.63 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.208 -0.451 . . . . 1.57 110.606 -177.349 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -71.61 -45.76 61.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.015 0.436 . . . . 1.92 110.526 -178.635 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . 0.431 ' O ' ' HG2' ' A' ' 88' ' ' GLU . 48.1 mt-30 -68.58 -48.29 64.57 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.627 -0.715 . . . . 3.57 111.105 -176.055 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -63.53 -37.68 88.23 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.229 -0.441 . . . . 3.59 111.118 -175.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 35.7 ttmt -61.37 -46.31 90.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.067 0.46 . . . . 2.26 110.629 178.549 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -71.71 -35.56 70.26 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.04 -0.527 . . . . 2.94 111.161 -178.552 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.431 ' HG2' ' O ' ' A' ' 84' ' ' GLN . 63.6 mm-40 -58.01 -40.82 81.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.655 0.264 . . . . 2.99 111.402 -179.533 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -69.61 -35.14 75.01 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.811 -0.356 . . . . 1.83 110.368 179.534 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 9.4 m-70 -61.06 -46.88 88.9 Favored 'General case' 0 N--CA 1.464 0.259 0 N-CA-C 109.762 -0.458 . . . . 0.58 109.762 173.241 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 25.6 m -58.1 -43.13 86.95 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.639 -0.709 . . . . 0.79 111.245 -179.246 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.449 ' O ' ' HG ' ' A' ' 96' ' ' LEU . 60.5 tp -70.44 -52.4 22.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.53 111.233 -179.08 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 94.4 mt -66.27 -33.69 76.3 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.295 -0.412 . . . . 0.69 111.709 -173.782 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -68.21 -44.47 75.72 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.702 -0.399 . . . . 0.82 110.754 -177.63 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.447 ' O ' ' HG2' ' A' ' 99' ' ' GLN . 35.1 ttpt -60.7 -44.32 96.72 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.627 0.251 . . . . 2.25 110.615 177.048 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.449 ' HG ' ' O ' ' A' ' 92' ' ' LEU . 90.4 mt -58.81 -43.36 90.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.097 -0.501 . . . . 0.4 110.502 178.035 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 39.3 m -58.76 -43.36 90.32 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.851 0.357 . . . . 0.44 110.874 175.232 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 23.6 tt0 -66.54 -40.98 89.38 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.017 -0.538 . . . . 2.53 111.213 -177.735 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.447 ' HG2' ' O ' ' A' ' 95' ' ' LYS . 85.6 mm-40 -63.99 -45.19 90.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 2.3 110.764 -179.685 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 67.6 mt -66.94 -39.55 87.35 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.125 -0.489 . . . . 0.38 110.306 179.663 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 23.3 tm0? -61.8 -42.76 99.42 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.646 -0.706 . . . . 2.34 109.73 178.128 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -65.74 -45.8 86.86 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 121.015 -0.612 . . . . 0.46 112.282 179.041 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 63.2 tp -63.82 -45.19 90.7 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.852 0.358 . . . . 0.66 110.421 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -57.89 -46.68 84.54 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.785 -0.643 . . . . 0.45 111.186 -178.74 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 77.6 t -69.15 -37.91 77.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.37 -0.377 . . . . 0.68 111.105 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 97.1 m -61.48 -37.91 85.36 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.824 0.345 . . . . 0.68 111.211 179.219 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 77.2 mt -75.68 -32.86 25.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 121.144 0.497 . . . . 0.83 110.702 177.524 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 43.0 t -77.73 -17.16 57.88 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.073 -0.512 . . . . 1.19 110.746 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 40.0 ttp180 -83.95 67.35 9.59 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.279 0.561 . . . . 5.77 110.19 -177.538 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.52 ' CD ' HH12 ' A' ' 46' ' ' ARG . 40.8 mm-40 -124.37 41.64 3.45 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.761 -0.654 . . . . 6.0 111.13 -176.712 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 66.4 t30 -100.02 52.98 0.91 Allowed 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.344 0.592 . . . . 6.62 109.692 178.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 23.5 mt -112.67 82.91 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.848 -0.615 . . . . 8.37 110.221 179.26 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.435 ' O ' ' HB2' ' A' ' 114' ' ' GLU . 23.6 m -103.05 90.37 3.73 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.834 -0.621 . . . . 9.67 109.814 178.684 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.435 ' HB2' ' O ' ' A' ' 113' ' ' THR . 0.7 OUTLIER 70.37 135.25 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.288 0 O-C-N 123.698 0.624 . . . . 11.2 110.932 -178.041 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 32.5 m -90.68 -16.41 8.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 116.189 -0.46 . . . . 12.46 111.369 -176.674 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -81.39 113.08 3.57 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 121.084 -0.579 . . . . 13.58 112.36 -178.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.539 ' HB3' ' HD3' ' A' ' 118' ' ' PRO . . . -70.97 -49.7 12.83 Favored Pre-proline 0 CA--C 1.537 0.446 0 N-CA-C 111.827 0.306 . . . . 16.1 111.827 179.246 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . 0.539 ' HD3' ' HB3' ' A' ' 117' ' ' ALA . 7.7 Cg_exo -73.51 -60.97 0.04 OUTLIER 'Trans proline' 0 C--N 1.353 0.793 0 C-N-CA 121.874 1.716 . . . . 18.52 111.387 176.288 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 5.1 t . . . . . 0 C--O 1.25 1.122 0 CA-C-N 115.864 -0.607 . . . . 20.01 109.852 179.354 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.841 0 N-CA-C 111.817 -0.513 . . . . 15.85 111.817 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -72.64 127.66 12.64 Favored 'Trans proline' 0 C--O 1.237 0.461 0 C-N-CA 122.649 2.233 . . . . 16.1 112.633 -179.215 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 88.2 mtp -110.01 123.51 49.8 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.115 -0.493 . . . . 14.03 110.495 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -99.08 -4.35 32.58 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.441 -0.345 . . . . 12.6 111.335 -178.586 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 14.7 tpt -77.67 135.02 38.03 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.557 -0.292 . . . . 12.35 110.504 179.119 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 52.4 tp -146.06 135.51 23.05 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.76 -0.459 . . . . 9.95 109.76 178.061 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -68.33 103.16 1.54 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.39 -0.368 . . . . 8.65 110.227 176.585 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 77.4 mtp180 -120.52 -5.39 9.79 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.678 0.275 . . . . 9.34 111.211 -179.192 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 40.3 ttm180 -78.35 -50.02 12.53 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.869 0.366 . . . . 8.86 110.225 178.555 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 47.5 tp60 -123.92 106.87 10.78 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.993 -0.549 . . . . 6.88 110.202 178.662 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.418 ' O ' ' HD3' ' A' ' 13' ' ' PRO . 38.0 mtp180 -125.9 -49.58 1.6 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.827 -0.624 . . . . 6.91 110.052 177.497 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -74.47 110.42 9.56 Favored Pre-proline 0 C--N 1.324 -0.508 0 CA-C-N 115.522 -0.763 . . . . 2.19 110.276 -178.137 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.418 ' HD3' ' O ' ' A' ' 11' ' ' ARG . 25.7 Cg_exo -62.27 -29.9 80.7 Favored 'Trans proline' 0 C--N 1.343 0.26 0 C-N-CA 122.31 2.007 . . . . 1.45 110.837 177.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 67.9 mt -65.86 -32.46 73.99 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.074 -0.967 . . . . 0.85 110.781 177.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -65.33 -47.08 77.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.992 0.425 . . . . 2.75 110.343 178.68 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.38 -44.19 88.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.979 -0.555 . . . . 0.71 110.472 178.587 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 56.6 tp -64.09 -43.97 93.76 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.926 -0.579 . . . . 1.09 111.087 179.19 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 35.3 ttm180 -59.41 -37.93 79.31 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.683 0.277 . . . . 3.33 111.123 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.417 HH11 ' HD3' ' A' ' 19' ' ' ARG . 43.9 ttp180 -60.01 -43.81 94.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.208 0.527 . . . . 3.76 109.683 175.713 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 92.3 mtt180 -69.27 -38.03 78.18 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.357 -0.838 . . . . 4.04 111.324 177.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 -64.41 -41.07 96.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.48 0.181 . . . . 1.34 110.752 177.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 49.5 tt0 -66.78 -30.13 70.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.903 0.383 . . . . 2.79 110.006 176.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -63.97 -46.38 84.88 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.204 -0.665 . . . . 2.14 109.204 177.509 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.479 ' O ' HG23 ' A' ' 28' ' ' VAL . 88.3 mt -69.65 -38.93 77.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.564 -0.744 . . . . 0.68 110.836 177.531 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 63.7 tttm -60.21 -40.57 90.56 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.459 -0.337 . . . . 1.9 110.794 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 56.0 tt0 -64.88 -35.47 81.23 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.185 0.516 . . . . 2.6 110.022 177.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -70.66 -34.43 72.03 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.673 -0.694 . . . . 1.37 110.704 179.406 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.479 HG23 ' O ' ' A' ' 24' ' ' LEU . 71.9 t -67.33 -48.31 78.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.486 -0.324 . . . . 0.4 110.279 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -62.98 -36.88 84.99 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.429 -0.35 . . . . 1.21 111.05 178.229 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 9.0 t -66.22 -38.03 86.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.99 0.424 . . . . 1.3 110.034 178.497 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -63.61 -45.99 87.8 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.377 -0.601 . . . . 1.14 109.377 177.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.478 HD11 ' NE2' ' A' ' 99' ' ' GLN . 97.0 mt -60.34 -33.58 72.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.935 -0.575 . . . . 0.67 110.961 177.032 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 40.7 m -62.67 -40.04 95.83 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.224 -0.444 . . . . 1.29 110.635 179.704 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -75.89 -35.62 59.78 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.086 0.469 . . . . 1.86 110.254 178.511 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 11.5 t -68.09 -10.29 52.78 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.591 -0.731 . . . . 1.33 110.763 -179.35 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -98.14 -8.82 26.84 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-O 121.487 0.661 . . . . 2.91 109.495 -175.547 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 87.0 mt -78.7 135.48 37.18 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.466 -0.788 . . . . 0.95 110.569 -177.134 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 58.4 mtpt -70.74 -29.47 65.73 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.347 -0.842 . . . . 3.61 110.613 -179.532 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -73.15 -18.19 61.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.992 -0.549 . . . . 3.24 110.229 176.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -76.77 -0.45 23.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.296 -0.411 . . . . 1.2 110.766 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 58.8 tp -67.41 -14.62 63.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.76 -0.655 . . . . 2.76 109.985 173.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.454 ' HG3' ' H ' ' A' ' 45' ' ' LYS . 11.8 tp10 -52.14 115.86 7.47 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-N 115.496 -0.775 . . . . 3.43 110.062 174.047 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.423 ' HD2' ' OE1' ' A' ' 42' ' ' GLU . 69.9 Cg_exo -51.28 -31.01 35.5 Favored 'Trans proline' 0 C--N 1.354 0.842 0 C-N-CA 122.907 2.405 . . . . 1.63 112.732 179.798 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 88.8 m-20 -69.57 -47.82 62.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.507 -0.315 . . . . 1.75 110.249 178.482 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.454 ' H ' ' HG3' ' A' ' 42' ' ' GLU . 23.4 tptm -66.88 -34.47 77.86 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.574 -0.285 . . . . 1.99 110.956 178.7 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 60.6 mtp180 -58.0 -41.13 82.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.666 0.269 . . . . 3.72 110.81 177.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 85.8 mm-40 -67.89 -33.32 74.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.924 0.392 . . . . 2.64 110.505 177.481 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 28.0 t60 -68.07 -41.59 81.72 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.109 -0.496 . . . . 1.02 109.944 177.596 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.402 HG13 ' O ' ' A' ' 45' ' ' LYS . 74.2 mt -66.12 -45.16 91.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.61 109.931 178.461 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 51.2 t80 -54.17 -41.19 68.25 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.92 -0.582 . . . . 0.46 111.519 176.567 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 48.3 tp60 -65.67 -45.97 80.89 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.78 0.324 . . . . 1.48 110.999 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.556 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 36.3 mmt180 -67.95 -32.11 72.31 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.758 0.313 . . . . 3.69 111.047 -179.758 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 36.6 t -67.12 -44.02 80.96 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.112 -0.495 . . . . 0.54 110.006 179.373 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 65.1 mt -58.78 -44.56 90.52 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 115.977 -0.556 . . . . 0.44 111.033 175.43 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 40.4 tt0 -61.17 -48.96 79.14 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.81 -0.632 . . . . 2.54 110.814 -176.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.556 ' HG ' ' O ' ' A' ' 52' ' ' ARG . 71.5 mt -61.37 -39.43 90.61 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.368 -0.378 . . . . 0.4 111.287 178.543 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 41.7 tttp -59.18 -45.07 92.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.98 0.419 . . . . 1.78 110.563 179.198 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 81.3 mt-30 -65.9 -34.39 78.02 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.897 -0.592 . . . . 2.41 111.242 177.266 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -68.62 -38.66 80.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.882 0.373 . . . . 0.26 110.881 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.485 HG13 ' O ' ' A' ' 56' ' ' LEU . 75.3 mt -69.19 -39.64 79.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 121.024 0.44 . . . . 0.36 110.041 178.062 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -60.07 -36.73 78.01 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 115.71 -0.677 . . . . 0.64 109.966 176.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -62.15 -47.0 86.49 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.34 -0.845 . . . . 2.28 110.691 176.055 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -64.18 -38.96 92.94 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.453 -0.339 . . . . 1.07 110.676 177.499 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -58.12 -45.0 88.05 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.041 -0.527 . . . . 1.48 110.639 176.78 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.43 HD22 ' HA ' ' A' ' 65' ' ' ASN . 3.6 m120 -67.93 -37.65 81.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.298 -0.41 . . . . 1.35 111.082 178.594 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -63.01 -46.96 85.18 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.012 0.434 . . . . 0.46 110.434 177.09 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 41.5 tp -65.21 -36.87 85.51 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.944 -0.571 . . . . 0.57 110.669 178.416 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -59.3 -31.67 69.35 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.424 -0.353 . . . . 1.8 111.189 175.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 51.7 tptt -77.6 -28.44 51.58 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.595 0.712 . . . . 2.67 109.66 176.711 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 74.9 mt -92.85 39.59 1.04 Allowed 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.488 -0.778 . . . . 2.13 110.768 178.032 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 55.0 m -86.55 24.07 1.5 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.34 0.591 . . . . 3.1 110.349 178.697 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 53.2 mttp -85.45 97.62 10.13 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.745 -0.661 . . . . 6.17 109.322 179.033 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -66.65 -25.79 66.74 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.25 0.547 . . . . 4.6 110.912 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.54 ' HA ' ' HD3' ' A' ' 78' ' ' PRO . 11.8 m-20 -81.28 2.81 26.44 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.562 -0.745 . . . . 6.87 111.908 -176.499 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 22.3 pt-20 -58.5 -27.55 64.56 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 111.769 0.285 . . . . 6.68 111.769 -176.333 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.644 ' HB2' ' CE2' ' A' ' 82' ' ' TYR . 12.6 m -153.19 41.02 0.55 Allowed 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 121.207 -0.197 . . . . 5.08 111.049 176.694 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . 63.61 103.19 0.03 OUTLIER Pre-proline 0 N--CA 1.469 0.48 0 O-C-N 123.593 0.558 . . . . 4.62 111.702 -179.645 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.54 ' HD3' ' HA ' ' A' ' 74' ' ' ASP . 98.8 Cg_endo -82.14 68.4 7.86 Favored 'Trans proline' 0 N--CA 1.46 -0.467 0 C-N-CA 122.648 2.232 . . . . 3.94 112.059 -176.268 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 67.4 t -59.85 -62.73 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.893 -0.594 . . . . 3.47 111.029 -177.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -161.04 -68.65 0.06 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.551 0.215 . . . . 2.32 111.494 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 10.7 t30 -64.7 -27.38 68.87 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.502 -0.317 . . . . 2.86 111.292 -176.508 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.644 ' CE2' ' HB2' ' A' ' 76' ' ' SER . 6.8 t80 -61.35 -38.89 88.57 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.87 0.367 . . . . 1.57 110.017 -179.625 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.406 HD21 ' HB2' ' A' ' 78' ' ' PRO . 87.2 m-20 -70.87 -34.76 71.94 Favored 'General case' 0 CA--C 1.518 -0.254 0 CA-C-N 116.128 -0.487 . . . . 1.92 110.269 178.319 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -65.42 -44.58 86.92 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.913 -0.585 . . . . 3.57 109.785 177.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.41 ' O ' ' HG2' ' A' ' 89' ' ' GLU . 55.5 ttp180 -63.33 -38.17 90.13 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.991 -0.549 . . . . 3.59 110.501 -177.529 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 24.3 ttmm -71.07 -35.61 71.95 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.265 0.555 . . . . 2.26 110.247 177.456 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.432 ' O ' ' HB2' ' A' ' 90' ' ' HIS . 42.3 tt0 -70.1 -45.09 67.66 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.386 -0.824 . . . . 2.94 111.633 -178.488 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -64.46 -30.25 71.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.634 -0.257 . . . . 2.99 111.416 -175.698 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.41 ' HG2' ' O ' ' A' ' 85' ' ' ARG . 22.4 mm-40 -62.43 -37.74 87.0 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.983 -0.377 . . . . 1.83 109.983 175.033 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . 0.432 ' HB2' ' O ' ' A' ' 87' ' ' GLU . 15.4 m-70 -61.38 -44.69 96.72 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.194 -0.457 . . . . 0.58 110.13 175.483 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 8.7 m -62.05 -38.84 90.28 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.779 -0.646 . . . . 0.79 111.015 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 66.8 tp -69.9 -49.46 51.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.53 110.65 -177.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 96.3 mt -63.87 -33.81 76.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.69 111.208 -176.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -69.02 -45.69 69.87 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.781 -0.368 . . . . 0.82 110.642 -179.562 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 76.3 tttt -59.52 -49.62 77.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.469 -0.332 . . . . 2.25 111.838 177.348 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 87.4 mt -59.36 -44.27 92.71 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.512 -0.313 . . . . 0.4 110.723 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 58.4 m -59.47 -45.56 91.3 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.693 0.282 . . . . 0.44 111.004 175.409 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -63.35 -47.22 83.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.15 -0.477 . . . . 2.53 111.166 -178.105 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.478 ' NE2' HD11 ' A' ' 32' ' ' LEU . 29.7 tt0 -62.18 -41.61 98.48 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.749 -0.659 . . . . 2.3 111.176 -176.801 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 72.2 mt -71.84 -41.77 67.73 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.39 -0.368 . . . . 0.38 110.961 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 24.1 tm0? -61.58 -44.4 97.08 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.461 -0.336 . . . . 2.34 110.2 -179.33 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -65.89 -42.16 95.08 Favored Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.572 -0.823 . . . . 0.46 111.997 177.426 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.454 ' O ' HG13 ' A' ' 107' ' ' ILE . 65.8 tp -65.73 -45.6 82.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.542 0.211 . . . . 0.66 111.214 -179.429 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -55.91 -47.37 77.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.243 -0.435 . . . . 0.45 111.258 -177.343 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 84.6 t -65.18 -35.52 75.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.989 0.423 . . . . 0.68 110.587 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 84.7 m -64.22 -42.11 96.73 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.718 -0.673 . . . . 0.68 111.091 178.382 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.454 HG13 ' O ' ' A' ' 103' ' ' LEU . 71.3 mt -70.81 -40.92 77.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.83 111.263 -177.62 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 35.2 p -83.17 -10.62 58.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.157 0.503 . . . . 1.19 110.822 -176.601 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 25.6 mmm180 61.22 38.29 16.76 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-N 115.085 -0.962 . . . . 5.77 111.307 178.513 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -86.39 41.09 0.92 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.278 0.561 . . . . 6.0 110.731 -179.596 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -101.4 19.01 18.62 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.787 -0.642 . . . . 6.62 110.122 178.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 75.0 mt -73.81 -54.21 15.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.157 -0.474 . . . . 8.37 110.859 -175.555 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 12.6 p -80.92 -4.6 55.49 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.205 0.526 . . . . 9.67 111.057 -178.68 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -73.15 99.29 2.78 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 115.575 -0.739 . . . . 11.2 110.107 179.08 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 12.2 m -124.74 48.4 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.679 -0.691 . . . . 12.46 110.888 -177.462 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -80.67 70.38 3.03 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.922 -0.656 . . . . 13.58 112.174 -179.317 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -138.58 63.83 34.94 Favored Pre-proline 0 C--N 1.323 -0.546 0 O-C-N 122.883 -0.186 . . . . 16.1 111.351 -178.76 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 93.0 Cg_endo -93.54 16.89 1.15 Allowed 'Trans proline' 0 N--CA 1.455 -0.742 0 C-N-CA 122.554 2.169 . . . . 18.52 112.415 -179.194 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 26.4 m . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.542 -0.742 . . . . 20.01 110.199 -177.893 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.896 0 N-CA-C 111.776 -0.53 . . . . 15.85 111.776 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.9 Cg_exo -77.62 57.59 6.05 Favored 'Trans proline' 0 CA--C 1.53 0.319 0 C-N-CA 123.269 2.646 . . . . 16.1 112.603 179.713 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 25.9 ttt -95.75 -56.86 2.54 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.853 -0.425 . . . . 14.03 109.853 176.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 55.97 78.7 0.19 Allowed 'General case' 0 C--O 1.234 0.273 0 O-C-N 124.04 0.837 . . . . 12.6 111.522 178.324 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 23.9 ptp -81.21 123.47 28.49 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.897 -0.592 . . . . 12.35 110.409 178.553 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -114.75 130.41 56.84 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.75 -0.463 . . . . 9.95 109.75 177.592 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -71.75 90.99 1.1 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.244 0.545 . . . . 8.65 110.685 178.594 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 61.7 mtp180 -85.49 48.85 1.65 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.966 -0.561 . . . . 9.34 110.436 -178.6 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 83.5 mtt180 -91.59 -57.3 2.81 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.807 -0.633 . . . . 8.86 110.826 -178.538 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.48 ' OE1' ' HB3' ' A' ' 76' ' ' SER . 10.5 mm100 -79.53 55.83 2.05 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.851 -0.613 . . . . 6.88 110.649 -175.851 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.637 ' O ' ' HD3' ' A' ' 13' ' ' PRO . 94.1 mtt180 -62.92 134.88 56.9 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.624 -0.717 . . . . 6.91 109.672 178.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -90.48 103.23 6.33 Favored Pre-proline 0 C--N 1.323 -0.546 0 O-C-N 123.52 0.513 . . . . 2.19 111.628 -174.559 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.637 ' HD3' ' O ' ' A' ' 11' ' ' ARG . 16.8 Cg_exo -64.86 -39.67 24.56 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.791 2.327 . . . . 1.45 111.249 177.343 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.403 HD23 HD23 ' A' ' 70' ' ' LEU . 57.4 mt -60.75 -35.7 77.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.081 -0.963 . . . . 0.85 110.939 -178.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 9.9 tt0 -65.87 -39.31 90.57 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 116.627 -0.26 . . . . 2.75 110.992 179.689 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.89 -46.22 75.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.821 0.343 . . . . 0.71 110.778 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 57.0 tp -61.42 -37.21 82.69 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.887 -0.597 . . . . 1.09 111.065 174.744 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 30.3 ttm180 -59.53 -32.91 70.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.376 -0.375 . . . . 3.33 111.054 -179.562 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 20.1 mmm180 -59.16 -42.26 90.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.133 0.492 . . . . 3.76 110.039 174.305 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.659 ' HG3' HD21 ' A' ' 63' ' ' ASN . 32.0 tpt180 -70.92 -36.82 72.82 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.689 -0.687 . . . . 4.04 110.743 176.835 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 -64.13 -39.07 93.24 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-O 120.979 0.419 . . . . 1.34 110.58 175.447 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.531 ' O ' ' HG3' ' A' ' 26' ' ' GLN . 65.2 tt0 -62.1 -31.57 72.04 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.885 -0.598 . . . . 2.79 110.221 176.455 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -69.96 -38.22 76.04 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.585 -0.734 . . . . 2.14 109.154 179.422 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.449 ' O ' HG23 ' A' ' 28' ' ' VAL . 81.8 mt -68.99 -39.64 79.26 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.822 -0.626 . . . . 0.68 110.248 176.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.6 mmmp? -57.19 -46.77 82.55 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-N 116.528 -0.306 . . . . 1.9 110.803 178.456 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.531 ' HG3' ' O ' ' A' ' 22' ' ' GLN . 26.1 mt-30 -59.53 -38.84 82.06 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.081 -0.508 . . . . 2.6 110.647 -179.606 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 -73.28 -35.62 66.2 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.058 -0.519 . . . . 1.37 111.412 -177.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.449 HG23 ' O ' ' A' ' 24' ' ' LEU . 70.2 t -68.92 -46.69 78.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-O 120.935 0.397 . . . . 0.4 110.132 -179.68 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -61.06 -36.05 78.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.961 -0.563 . . . . 1.21 110.359 177.018 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 66.6 m -64.82 -37.72 88.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.36 -0.382 . . . . 1.3 110.614 176.237 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.482 HD11 HG23 ' A' ' 49' ' ' ILE . 36.1 tp -64.22 -44.38 92.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 1.14 110.278 -179.749 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 96.0 mt -61.69 -38.39 87.66 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.038 -0.528 . . . . 0.67 110.472 177.398 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.589 ' O ' ' HG ' ' A' ' 37' ' ' LEU . 50.9 m -65.14 -35.2 80.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.917 -0.583 . . . . 1.29 110.973 179.592 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -74.93 -39.92 61.11 Favored 'General case' 0 CA--C 1.52 -0.182 0 CA-C-O 121.037 0.446 . . . . 1.86 109.966 179.542 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 26.7 t -65.32 -11.14 38.82 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.749 -0.66 . . . . 1.33 110.962 179.341 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 25.7 tp60 -104.0 -11.13 17.58 Favored 'General case' 0 N--CA 1.449 -0.513 0 N-CA-C 109.595 -0.52 . . . . 2.91 109.595 -175.21 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.589 ' HG ' ' O ' ' A' ' 33' ' ' SER . 94.9 mt -76.32 135.77 39.57 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.669 -0.696 . . . . 0.95 110.629 -177.608 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 58.0 mttp -72.26 -29.86 64.31 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.408 -0.815 . . . . 3.61 110.444 179.618 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -70.36 -27.67 64.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.831 -0.622 . . . . 3.24 110.188 175.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -90.71 0.7 57.33 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.714 -0.676 . . . . 1.2 111.025 -177.755 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 29.4 tp -86.53 25.1 1.28 Allowed 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.801 0.81 . . . . 2.76 109.969 179.249 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -87.12 153.41 54.18 Favored Pre-proline 0 C--N 1.324 -0.522 0 CA-C-N 115.227 -0.897 . . . . 3.43 109.812 177.411 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_endo -54.48 -50.37 13.67 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.313 2.009 . . . . 1.63 113.913 -171.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 17.2 m120 -73.79 -30.94 63.03 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-O 120.59 0.233 . . . . 1.75 111.52 -171.62 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.453 ' O ' HG13 ' A' ' 49' ' ' ILE . 58.3 tptt -61.82 -32.24 72.54 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.669 -0.241 . . . . 1.99 110.561 178.683 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 83.5 mtm180 -59.47 -40.09 85.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.447 -0.342 . . . . 3.72 110.515 177.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -66.36 -38.38 87.46 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-O 121.036 0.446 . . . . 2.64 110.282 178.018 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 4.7 t60 -69.6 -38.26 77.21 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.737 -0.665 . . . . 1.02 110.228 -178.473 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.482 HG23 HD11 ' A' ' 31' ' ' LEU . 74.4 mt -66.35 -46.04 87.99 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.445 -0.343 . . . . 0.61 110.4 178.712 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 81.2 t80 -54.57 -41.47 69.89 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.4 -0.364 . . . . 0.46 110.927 176.001 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 55.7 tp60 -69.64 -40.33 76.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.869 0.366 . . . . 1.48 110.457 178.568 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.47 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 27.2 tpt180 -63.48 -31.79 73.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.228 -0.442 . . . . 3.69 110.09 178.461 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.448 ' SG ' ' HB2' ' A' ' 104' ' ' ALA . 42.8 t -66.59 -45.54 78.9 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.629 -0.714 . . . . 0.54 109.919 178.109 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 57.9 mt -59.85 -41.33 85.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.971 -0.559 . . . . 0.44 111.06 178.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -61.81 -51.03 69.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.465 -0.334 . . . . 2.54 111.222 -179.668 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.47 ' HG ' ' O ' ' A' ' 52' ' ' ARG . 68.2 mt -60.6 -37.89 82.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 0.4 111.558 177.424 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 39.7 ttpt -64.25 -38.6 91.62 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.015 0.436 . . . . 1.78 110.097 179.295 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 24.6 tp60 -63.94 -39.49 94.28 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.728 -0.669 . . . . 2.41 110.297 176.029 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.78 -39.67 93.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.289 -0.414 . . . . 0.26 111.213 178.538 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.451 HG13 ' O ' ' A' ' 56' ' ' LEU . 75.9 mt -64.25 -43.6 97.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.997 0.427 . . . . 0.36 110.348 177.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -64.51 -36.09 83.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.784 -0.644 . . . . 0.64 110.132 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -62.39 -45.9 91.05 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.843 -0.617 . . . . 2.28 110.292 176.461 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.659 HD21 ' HG3' ' A' ' 20' ' ' ARG . 6.6 m-20 -63.74 -39.22 93.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.915 -0.584 . . . . 1.07 110.376 176.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 83.4 tttt -59.57 -41.24 89.72 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.93 -0.577 . . . . 1.48 110.3 178.138 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 9.7 m120 -66.89 -46.23 75.54 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.324 -0.398 . . . . 1.35 110.879 176.035 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -61.17 -39.11 88.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.107 -0.497 . . . . 0.46 110.842 179.663 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 50.6 tp -69.12 -40.77 78.1 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.894 -0.594 . . . . 0.57 111.069 179.18 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -60.2 -33.26 71.99 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.089 0.471 . . . . 1.8 110.827 176.541 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 25.8 tptp -91.84 -0.11 57.5 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.356 0.598 . . . . 2.67 110.414 179.405 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.403 HD23 HD23 ' A' ' 14' ' ' LEU . 21.6 tp -85.09 64.52 8.73 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.705 0.764 . . . . 2.13 110.966 -175.339 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 50.2 m -141.41 109.85 5.97 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.301 -0.863 . . . . 3.1 109.099 174.624 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 49.0 pttt -100.5 112.04 24.36 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.076 0.465 . . . . 6.17 111.248 -174.215 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -79.77 -21.7 44.08 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.078 -0.51 . . . . 4.6 111.812 -179.006 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -79.37 -4.78 52.61 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.782 0.325 . . . . 6.87 111.102 -176.589 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -128.42 161.37 29.65 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.052 -0.522 . . . . 6.68 110.148 179.044 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.48 ' HB3' ' OE1' ' A' ' 10' ' ' GLN . 40.1 t -81.05 135.55 35.84 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.258 -0.428 . . . . 5.08 110.198 -179.733 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -126.01 118.79 23.83 Favored Pre-proline 0 C--N 1.325 -0.491 0 CA-C-N 116.014 -0.539 . . . . 4.62 110.135 -179.128 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 26.3 Cg_exo -63.6 93.18 0.17 Allowed 'Trans proline' 0 C--N 1.343 0.263 0 C-N-CA 122.686 2.257 . . . . 3.94 111.802 178.414 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 33.9 m -61.05 167.68 0.65 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.396 0 CA-C-N 116.382 -0.372 . . . . 3.47 111.837 -176.145 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . 71.99 -61.32 0.5 Allowed 'General case' 0 N--CA 1.464 0.261 0 C-N-CA 123.721 0.808 . . . . 2.32 110.676 -173.508 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 18.1 m120 -66.53 -50.48 63.05 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.961 -0.385 . . . . 2.86 109.961 176.464 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 31.9 t80 -60.22 -37.84 81.55 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 115.909 -0.587 . . . . 1.57 109.948 177.212 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -67.34 -46.37 73.61 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.919 -0.582 . . . . 1.92 110.799 -176.214 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 26.9 mm-40 -70.72 -40.73 72.63 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.251 -0.431 . . . . 3.57 111.107 -179.74 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 24.3 tpp180 -63.1 -36.52 83.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.185 -0.462 . . . . 3.59 110.178 -179.445 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 36.0 ttmt -63.98 -38.69 92.0 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.797 -0.638 . . . . 2.26 110.747 177.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 44.4 mm-40 -71.89 -38.54 69.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 2.94 110.801 -179.707 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -59.61 -38.56 81.6 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.042 0.449 . . . . 2.99 110.286 176.712 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -65.86 -37.19 85.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.668 -0.696 . . . . 1.83 109.458 178.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 9.0 m-70 -63.83 -42.74 97.56 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 115.886 -0.597 . . . . 0.58 110.337 175.105 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 22.5 m -63.12 -34.95 78.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.79 111.558 -177.507 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.472 ' O ' ' HG ' ' A' ' 96' ' ' LEU . 65.2 tp -69.25 -51.42 37.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.824 0.345 . . . . 0.53 110.354 -179.178 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 95.3 mt -66.52 -32.88 74.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.109 -0.496 . . . . 0.69 110.787 -179.086 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -64.95 -44.98 87.65 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.972 -0.558 . . . . 0.82 111.113 -178.449 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 61.4 tttp -66.98 -39.9 87.3 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.644 0.259 . . . . 2.25 110.797 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.472 ' HG ' ' O ' ' A' ' 92' ' ' LEU . 86.5 mt -58.49 -40.95 84.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.403 -0.362 . . . . 0.4 110.288 176.003 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 31.1 m -58.98 -46.22 88.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.379 -0.373 . . . . 0.44 110.813 175.266 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -61.41 -47.09 87.37 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 116.167 -0.47 . . . . 2.53 111.255 -177.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -65.43 -46.02 81.57 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.797 -0.638 . . . . 2.3 111.443 -176.176 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 59.6 mt -64.71 -45.88 84.71 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.739 0.304 . . . . 0.38 110.655 -179.331 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 21.6 tm0? -62.63 -38.64 91.03 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.84 -0.618 . . . . 2.34 110.356 179.558 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -68.01 -45.61 71.63 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.925 -0.655 . . . . 0.46 111.936 178.154 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.44 ' O ' HG13 ' A' ' 107' ' ' ILE . 61.3 tp -65.27 -40.55 94.07 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.681 0.277 . . . . 0.66 110.73 -179.367 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.448 ' HB2' ' SG ' ' A' ' 53' ' ' CYS . . . -55.26 -43.26 74.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.071 -0.513 . . . . 0.45 110.94 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 84.7 t -67.35 -36.15 75.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 115.805 -0.634 . . . . 0.68 110.926 179.482 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 26.3 m -64.95 -39.34 93.35 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.004 0.43 . . . . 0.68 110.963 178.58 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.44 HG13 ' O ' ' A' ' 103' ' ' LEU . 67.5 mt -70.28 -40.3 77.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 0.83 111.198 -178.351 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 8.3 p -83.86 -17.52 40.6 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.174 -0.466 . . . . 1.19 110.669 -177.494 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 43.8 mtp180 65.69 101.67 0.04 OUTLIER 'General case' 0 C--O 1.237 0.419 0 CA-C-N 115.304 -0.862 . . . . 5.77 112.368 176.33 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 17.1 tp10 -80.72 69.38 7.23 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.664 0.745 . . . . 6.0 109.628 176.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 17.4 m120 -121.26 44.36 2.55 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.34 -0.845 . . . . 6.62 110.265 -177.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 72.1 mt -75.4 -61.21 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 121.203 0.525 . . . . 8.37 109.917 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.401 ' HB ' ' O ' ' A' ' 116' ' ' GLY . 2.3 p -122.81 -35.19 3.08 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.641 -0.709 . . . . 9.67 110.482 177.705 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 69.53 -60.6 0.46 Allowed 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 115.303 -0.862 . . . . 11.2 112.574 174.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 17.4 m -108.75 30.85 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-O 121.071 0.462 . . . . 12.46 111.124 -177.098 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . 0.401 ' O ' ' HB ' ' A' ' 113' ' ' THR . . . 71.32 -128.62 16.21 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.833 -0.698 . . . . 13.58 111.892 -177.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -134.92 69.83 70.87 Favored Pre-proline 0 C--N 1.325 -0.493 0 CA-C-O 120.784 0.326 . . . . 16.1 111.397 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 92.0 Cg_endo -84.42 -14.42 6.84 Favored 'Trans proline' 0 N--CA 1.459 -0.549 0 C-N-CA 122.252 1.968 . . . . 18.52 111.644 176.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 17.8 p . . . . . 0 C--O 1.246 0.92 0 CA-C-N 115.781 -0.645 . . . . 20.01 110.598 -179.462 . . . . . . . . 0 0 . 1 stop_ save_